A0A5K4F8H7_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F8H7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M60.1Low71.5Confident159 Ų159108.3 Ų108.378%0.78348%0.482SS*.  0121.30-157176-169.100108.1Q12 I13 K14M1-Q12 HydrophobicContact CE-CB 4.34Å; M1-I13 VanDerWaalsContact CG-O 3.29Å; M1-I13 WeakPolarHBondContact CG-O 3.4Å; M1-K14 HydrophobicContact CE-CG 3.93Å
2K74.2Confident73.3Confident99 Ų99103.7 Ų103.743%0.4346%0.462SS..  trans-84.5135.8-177.4-72-177.3177.2178.90110.4F4 I13 E20K2-F4 HydrophobicContact CB-CE2 3.71Å; K2-F4 HydrophobicContact CB-CZ 4.2Å; K2-F4 HydrophobicContact CD-CE2 4.26Å; K2-F4 HydrophobicContact CD-CZ 4.13Å; K2-I13 PolarHBondContact O-N 2.97Å; K2-E20 IonicContact NZ-OE1 3.88Å; K2-E20 PolarHBondContact NZ-OE1 3.08Å
3R69.3Low74.9Confident184 Ų18496.6 Ų96.669%0.69443%0.432SS*.EExtended strand (participates in β ladder)trans-119.3133.9176.3-64.9-171.1174.3170.7-1.3109.8I11 Q12R3-I11 VanDerWaalsContact CA-O 3.32Å; R3-I11 WeakPolarHBondContact CA-O 3.34Å; R3-Q12 HydrophobicContact CG-CG 4.15Å
4F69.7Low76.1Confident78 Ų7895.9 Ų95.934%0.34243%0.428SS..EExtended strand (participates in β ladder)trans-130.9154.3175.8-59.7-83.3000110.2K2 I6 I11 I13K2-F4 HydrophobicContact CB-CE2 3.71Å; K2-F4 HydrophobicContact CB-CZ 4.2Å; K2-F4 HydrophobicContact CD-CE2 4.26Å; K2-F4 HydrophobicContact CD-CZ 4.13Å; F4-I6 HydrophobicContact CB-CG1 4.49Å; F4-I11 PolarHBondContact N-O 2.84Å; F4-I11 PolarHBondContact O-N 2.81Å; F4-I13 HydrophobicContact CD2-CD1 4.25Å; F4-I13 HydrophobicContact CE2-CD1 3.82Å
5R59.9Low77.2Confident217 Ų21796.2 Ų96.282%0.81943%0.428SS*.EExtended strand (participates in β ladder)trans-114122.8163.7-78.7-175.2172.2178.7-2.9108.1K9R5-K9 WeakPolarHBondContact CA-O 3.44Å
6I65.9Low78.4Confident22 Ų2293.6 Ų93.611%0.11342%0.422CS..EExtended strand (participates in β ladder)trans-131.2122.5178.2-61.4178.3000107.1F4 E8 K9 I11 M24 I27 V31F4-I6 HydrophobicContact CB-CG1 4.49Å; I6-E8 VanDerWaalsContact C-N 3.25Å; I6-E8 PolarHBondContact O-N 3.45Å; I6-K9 PolarHBondContact N-O 3.21Å; I6-K9 PolarHBondContact O-N 3.39Å; I6-I11 HydrophobicContact CB-CD1 4.23Å; I6-I11 HydrophobicContact CD1-CD1 4.05Å; I6-I11 HydrophobicContact CG1-CD1 4.35Å; I6-M24 HydrophobicContact CD1-CE 4.2Å; I6-I27 HydrophobicContact CD1-CG2 3.54Å; I6-V31 HydrophobicContact CB-CG2 4.37Å; I6-V31 HydrophobicContact CG2-CB 4.25Å; I6-V31 HydrophobicContact CG2-CG1 4Å; I6-V31 HydrophobicContact CG2-CG2 4.16Å
7H65.3Low79.4Confident145 Ų14592.3 Ų92.367%0.67142%0.423SS*.THydrogen-bonded Turntrans45.451.4-175.6-5988.7000111.9K9 V31H7-K9 PolarHBondContact O-N 2.83Å; H7-V31 HydrophobicContact CB-CG1 3.98Å
8E70.8Confident80.3Confident190 Ų19087.9 Ų87.989%0.88840%0.403SS*.THydrogen-bonded Turntrans66.9-11.8-178.3-51.6-177.4124.300116.3I6I6-E8 VanDerWaalsContact C-N 3.25Å; I6-E8 PolarHBondContact O-N 3.45Å
9K76.8Confident81.1Confident44 Ų4488.2 Ų88.219%0.19141%0.408CS..EExtended strand (participates in β ladder)trans-78.7130.5175.7-61.5-159170.7-72.60111.6R5 I6 H7 L34 E85R5-K9 WeakPolarHBondContact CA-O 3.44Å; I6-K9 PolarHBondContact N-O 3.21Å; I6-K9 PolarHBondContact O-N 3.39Å; H7-K9 PolarHBondContact O-N 2.83Å; K9-L34 HydrophobicContact CD-CD1 4.27Å; K9-E85 WeakPolarHBondContact CG-OE1 3.26Å; K9-E85 IonicContact NZ-OE1 2.58Å; K9-E85 PolarHBondContact NZ-OE1 2.89Å; K9-E85 IonicContact NZ-OE2 2.75Å; K9-E85 PolarHBondContact NZ-OE2 2.97Å
10S84.6Confident81.8Confident52 Ų5290 Ų9036%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-83.5129.7173.375.10000111E85S10-E85 PolarHBondContact O-N 3.04Å; S10-E85 VanDerWaalsContact O-N 3.12Å
11I90.4Very high82.5Confident1 Ų193 Ų931%0.00543%0.428CS..EExtended strand (participates in β ladder)trans-124.1128-174.7-59.6-178.6000109.1R3 F4 I6 I27 V31 F82 K83R3-I11 VanDerWaalsContact CA-O 3.32Å; R3-I11 WeakPolarHBondContact CA-O 3.34Å; F4-I11 PolarHBondContact N-O 2.84Å; F4-I11 PolarHBondContact O-N 2.81Å; I6-I11 HydrophobicContact CB-CD1 4.23Å; I6-I11 HydrophobicContact CD1-CD1 4.05Å; I6-I11 HydrophobicContact CG1-CD1 4.35Å; I11-I27 HydrophobicContact CD1-CG2 3.3Å; I11-I27 HydrophobicContact CG2-CD1 4.48Å; I11-I27 HydrophobicContact CG2-CG2 4.47Å; I11-V31 HydrophobicContact CD1-CG2 3.64Å; I11-F82 HydrophobicContact CG2-CB 4.22Å; I11-F82 HydrophobicContact CG2-CD2 3.69Å; I11-F82 HydrophobicContact CG2-CE2 4.3Å; I11-F82 HydrophobicContact CG2-CG 4.15Å; I11-K83 WeakPolarHBondContact CA-O 3.45Å
12Q92.5Very high84.3Confident53 Ų5385.9 Ų85.925%0.24839%0.394CS..EExtended strand (participates in β ladder)trans-124108.3177.6-53.1-168.9-4.700109.8M1 R3 K14 F82 K83M1-Q12 HydrophobicContact CE-CB 4.34Å; R3-Q12 HydrophobicContact CG-CG 4.15Å; Q12-K14 PolarHBondContact O-N 3Å; Q12-F82 CarbonylContact O-C 3.52Å; Q12-F82 VanDerWaalsContact O-CA 3.24Å; Q12-F82 WeakPolarHBondContact O-CA 3.46Å; Q12-F82 WeakPolarHBondContact O-CB 3.1Å; Q12-K83 HydrophobicContact CB-CB 4.44Å; Q12-K83 PolarHBondContact N-O 2.93Å; Q12-K83 PolarHBondContact O-N 3.06Å
13I93.9Very high85.4Confident12 Ų1282 Ų826%0.06238%0.377CS..EExtended strand (participates in β ladder)trans-74.4126-178.8-57.5176.7000109.3M1 K2 F4 V16 I27 I80 F82M1-I13 VanDerWaalsContact CG-O 3.29Å; M1-I13 WeakPolarHBondContact CG-O 3.4Å; K2-I13 PolarHBondContact O-N 2.97Å; F4-I13 HydrophobicContact CD2-CD1 4.25Å; F4-I13 HydrophobicContact CE2-CD1 3.82Å; I13-V16 HydrophobicContact CG2-CB 4.16Å; I13-V16 HydrophobicContact CG2-CG1 4.33Å; I13-I27 HydrophobicContact CD1-CD1 3.94Å; I13-I27 HydrophobicContact CG1-CD1 4.34Å; I13-I80 HydrophobicContact CD1-CD1 4.4Å; I13-I80 HydrophobicContact CG2-CG1 4.38Å; I13-F82 HydrophobicContact CG1-CB 4.35Å
14K92.4Very high86.6Confident87 Ų8776.9 Ų76.938%0.37836%0.362SS..EExtended strand (participates in β ladder)trans-94.2-51.3177-69-178.2167.2179.70111.8M1 Q12 D67 S81 N88M1-K14 HydrophobicContact CE-CG 3.93Å; Q12-K14 PolarHBondContact O-N 3Å; K14-D67 IonicContact NZ-OD1 2.73Å; K14-D67 IonicContact NZ-OD2 3.74Å; K14-D67 PolarHBondContact NZ-OD2 2.86Å; K14-S81 WeakPolarHBondContact CA-O 3.36Å; K14-S81 WeakPolarHBondContact CB-O 3.12Å; K14-S81 PolarHBondContact N-O 3.45Å; K14-N88 PolarHBondContact NZ-OD1 3.12Å
15K93Very high87.9Confident100 Ų10075.8 Ų75.844%0.43536%0.36SS..EExtended strand (participates in β ladder)trans-142.8142.6-177.3-170.3172.5179.9172.60110S70 L79 I80 S81K15-S70 PolarHBondContact NZ-OG 3.48Å; K15-L79 HydrophobicContact CB-CD2 4.11Å; K15-L79 HydrophobicContact CD-CD2 4.05Å; K15-L79 HydrophobicContact CG-CD2 3.9Å; K15-I80 WeakPolarHBondContact O-CA 3.46Å; K15-S81 PolarHBondContact N-O 3.16Å; K15-S81 VanDerWaalsContact N-O 3.09Å; K15-S81 PolarHBondContact O-N 2.99Å
16V95.6Very high89.7Confident55 Ų5565.5 Ų65.533%0.33332%0.321SS..EExtended strand (participates in β ladder)trans-153.1140.2-179.866.20000112I13 M18 Q23 L79 I80I13-V16 HydrophobicContact CG2-CB 4.16Å; I13-V16 HydrophobicContact CG2-CG1 4.33Å; V16-M18 HydrophobicContact CG2-CG 3.85Å; V16-Q23 VanDerWaalsContact CG2-CD 3.45Å; V16-Q23 HydrophobicContact CG2-CG 3.52Å; V16-L79 CarbonylContact C-O 3.44Å; V16-L79 VanDerWaalsContact CA-O 3.27Å; V16-L79 WeakPolarHBondContact CA-O 3.29Å; V16-I80 HydrophobicContact CB-CG1 4.26Å; V16-I80 HydrophobicContact CG2-CB 4.23Å; V16-I80 HydrophobicContact CG2-CD1 4.32Å; V16-I80 HydrophobicContact CG2-CG1 4Å
17T95.5Very high91.1Very high71 Ų7164.4 Ų64.444%0.43632%0.315SS..  trans-132.828.8177.7680000112.5L79T17-L79 PolarHBondContact N-O 2.88Å; T17-L79 PolarHBondContact OG1-N 3.37Å
18M95.5Very high92.5Very high14 Ų1459.8 Ų59.87%0.06930%0.299CS..SBendtrans-132.7160178.171.2-168.459.500110.3V16 M22 Q23 V26 W60 Y78 L79 I80V16-M18 HydrophobicContact CG2-CG 3.85Å; M18-M22 HydrophobicContact CB-CB 4.16Å; M18-M22 HydrophobicContact CB-CG 4.16Å; M18-M22 HydrophobicContact CB-SD 3.65Å; M18-M22 HydrophobicContact CG-CB 4.1Å; M18-M22 HydrophobicContact CG-CG 4.19Å; M18-M22 HydrophobicContact CG-SD 4.27Å; M18-M22 HydrophobicContact SD-CB 4.18Å; M18-M22 HydrophobicContact SD-CG 3.77Å; M18-M22 HydrophobicContact SD-SD 4.12Å; M18-Q23 HydrophobicContact CG-CB 4.49Å; M18-Q23 HydrophobicContact CG-CG 3.54Å; M18-Q23 PolarHBondContact O-NE2 2.75Å; M18-Q23 HydrophobicContact SD-CG 4.12Å; M18-V26 HydrophobicContact SD-CB 4.47Å; M18-V26 HydrophobicContact SD-CG2 4Å; M18-W60 HydrophobicContact CE-CH2 4.28Å; M18-W60 HydrophobicContact CE-CZ3 4.28Å; M18-Y78 HydrophobicContact CB-CD1 3.96Å; M18-Y78 HydrophobicContact CB-CG 4.39Å; M18-L79 WeakPolarHBondContact CE-O 3.48Å; M18-I80 HydrophobicContact CE-CB 3.73Å; M18-I80 HydrophobicContact CE-CG2 3.8Å; M18-I80 HydrophobicContact SD-CB 4.19Å; M18-I80 HydrophobicContact SD-CG2 4.23Å
19D96.5Very high93.7Very high92 Ų9251 Ų5149%0.49226%0.258SS..  trans-68164.4178.367.663.2000112.9K21 M22 Q23D19-K21 VanDerWaalsContact C-N 3.28Å; D19-K21 PolarHBondContact O-N 2.88Å; D19-K21 WeakPolarHBondContact OD1-CA 3.37Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3.08Å; D19-M22 PolarHBondContact O-N 3.01Å; D19-M22 PolarHBondContact OD1-N 3.2Å; D19-Q23 VanDerWaalsContact O-CG 3.24Å; D19-Q23 WeakPolarHBondContact O-CG 3.35Å; D19-Q23 PolarHBondContact O-N 3.12Å
20E95.2Very high94.6Very high124 Ų12448.9 Ų48.958%0.57925%0.249SC*.Hα-helixtrans-62.3-32.3-175.1-63.7-168.3156.600113.7K2 Q23 M24K2-E20 IonicContact NZ-OE1 3.88Å; K2-E20 PolarHBondContact NZ-OE1 3.08Å; E20-Q23 WeakPolarHBondContact O-CB 3.32Å; E20-Q23 PolarHBondContact O-N 2.83Å; E20-M24 VanDerWaalsContact O-CG 3.32Å; E20-M24 WeakPolarHBondContact O-CG 3.46Å; E20-M24 PolarHBondContact O-N 3.41Å
21K96.2Very high94.9Very high153 Ų15346.5 Ų46.567%0.66523%0.232SC*.Hα-helixtrans-66.8-48.6178.1179.9-174.1173.8-169.80109.8D19 Q23 M24 D25D19-K21 VanDerWaalsContact C-N 3.28Å; D19-K21 PolarHBondContact O-N 2.88Å; D19-K21 WeakPolarHBondContact OD1-CA 3.37Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3.08Å; K21-Q23 VanDerWaalsContact C-N 3.31Å; K21-Q23 PolarHBondContact O-N 2.85Å; K21-M24 PolarHBondContact O-N 2.75Å; K21-D25 PolarHBondContact O-N 3.02Å
22M97.3Very high95Very high10 Ų1048 Ų485%0.04925%0.246CC..Hα-helixtrans-62.6-39176.3-168.6-179.1-60.900111.5M18 D19 M24 D25 V26 Y56 W60 Y78M18-M22 HydrophobicContact CB-CB 4.16Å; M18-M22 HydrophobicContact CB-CG 4.16Å; M18-M22 HydrophobicContact CB-SD 3.65Å; M18-M22 HydrophobicContact CG-CB 4.1Å; M18-M22 HydrophobicContact CG-CG 4.19Å; M18-M22 HydrophobicContact CG-SD 4.27Å; M18-M22 HydrophobicContact SD-CB 4.18Å; M18-M22 HydrophobicContact SD-CG 3.77Å; M18-M22 HydrophobicContact SD-SD 4.12Å; D19-M22 PolarHBondContact O-N 3.01Å; D19-M22 PolarHBondContact OD1-N 3.2Å; M22-M24 VanDerWaalsContact C-N 3.33Å; M22-M24 PolarHBondContact O-N 2.77Å; M22-D25 PolarHBondContact O-N 3.09Å; M22-V26 HydrophobicContact CG-CG2 4.41Å; M22-V26 WeakPolarHBondContact O-CB 3.27Å; M22-V26 VanDerWaalsContact O-CG2 3.31Å; M22-V26 WeakPolarHBondContact O-CG2 3.46Å; M22-V26 PolarHBondContact O-N 2.53Å; M22-Y56 HydrophobicContact CE-CD1 3.83Å; M22-Y56 HydrophobicContact CE-CE1 3.8Å; M22-Y56 HydrophobicContact CG-CD2 4.45Å; M22-Y56 HydrophobicContact CG-CE1 4.15Å; M22-Y56 HydrophobicContact CG-CE2 4.06Å; M22-W60 HydrophobicContact CG-CH2 4.4Å; M22-W60 HydrophobicContact SD-CH2 3.87Å; M22-W60 HydrophobicContact SD-CZ2 4.14Å; M22-Y78 HydrophobicContact CE-CD2 4.21Å; M22-Y78 HydrophobicContact CE-CE1 4.37Å; M22-Y78 HydrophobicContact CE-CE2 3.93Å; M22-Y78 HydrophobicContact SD-CD1 4.19Å; M22-Y78 HydrophobicContact SD-CD2 3.86Å; M22-Y78 HydrophobicContact SD-CE2 4.2Å; M22-Y78 HydrophobicContact SD-CG 3.87Å
23Q96.4Very high95.1Very high17 Ų1745.5 Ų45.58%0.07923%0.234CC..Hα-helixtrans-56-48.7173.5-70.6172.844.500111.4V16 M18 D19 E20 K21 D25 V26 I27 I80V16-Q23 VanDerWaalsContact CG2-CD 3.45Å; V16-Q23 HydrophobicContact CG2-CG 3.52Å; M18-Q23 HydrophobicContact CG-CB 4.49Å; M18-Q23 HydrophobicContact CG-CG 3.54Å; M18-Q23 PolarHBondContact O-NE2 2.75Å; M18-Q23 HydrophobicContact SD-CG 4.12Å; D19-Q23 VanDerWaalsContact O-CG 3.24Å; D19-Q23 WeakPolarHBondContact O-CG 3.35Å; D19-Q23 PolarHBondContact O-N 3.12Å; E20-Q23 WeakPolarHBondContact O-CB 3.32Å; E20-Q23 PolarHBondContact O-N 2.83Å; K21-Q23 VanDerWaalsContact C-N 3.31Å; K21-Q23 PolarHBondContact O-N 2.85Å; Q23-D25 PolarHBondContact O-N 2.82Å; Q23-V26 PolarHBondContact O-N 3.27Å; Q23-I27 WeakPolarHBondContact O-CB 3.35Å; Q23-I27 WeakPolarHBondContact O-CG1 3.43Å; Q23-I27 PolarHBondContact O-N 3.2Å; Q23-I80 HydrophobicContact CB-CD1 4.24Å; Q23-I80 HydrophobicContact CG-CD1 4.13Å
24M95Very high94.9Very high78 Ų7846.1 Ų46.138%0.38424%0.237SC..Hα-helixtrans-64.8-39.8-178.9-72-56.9-62.200112I6 E20 K21 M22 S28I6-M24 HydrophobicContact CD1-CE 4.2Å; E20-M24 VanDerWaalsContact O-CG 3.32Å; E20-M24 WeakPolarHBondContact O-CG 3.46Å; E20-M24 PolarHBondContact O-N 3.41Å; K21-M24 PolarHBondContact O-N 2.75Å; M22-M24 VanDerWaalsContact C-N 3.33Å; M22-M24 PolarHBondContact O-N 2.77Å; M24-S28 WeakPolarHBondContact O-CB 3.15Å; M24-S28 PolarHBondContact O-N 2.58Å; M24-S28 PolarHBondContact O-OG 3.43Å
25D97.4Very high94.7Very high55 Ų5549.3 Ų49.329%0.29425%0.253SS..Hα-helixtrans-65.3-43.3177-73.8-16.5000112.2K21 M22 Q23 T29 Y56K21-D25 PolarHBondContact O-N 3.02Å; M22-D25 PolarHBondContact O-N 3.09Å; Q23-D25 PolarHBondContact O-N 2.82Å; D25-T29 VanDerWaalsContact O-CB 3.25Å; D25-T29 WeakPolarHBondContact O-CB 3.48Å; D25-T29 PolarHBondContact O-N 3.43Å; D25-T29 PolarHBondContact O-OG1 2.92Å; D25-Y56 HydrophobicContact CB-CE2 3.95Å; D25-Y56 PolarHBondContact OD2-OH 3.37Å
26V97.8Very high94.6Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-64.7-51.4177172.30000110.5M18 M22 Q23 S28 T29 V30 L52 W60 I80 V91M18-V26 HydrophobicContact SD-CB 4.47Å; M18-V26 HydrophobicContact SD-CG2 4Å; M22-V26 HydrophobicContact CG-CG2 4.41Å; M22-V26 WeakPolarHBondContact O-CB 3.27Å; M22-V26 VanDerWaalsContact O-CG2 3.31Å; M22-V26 WeakPolarHBondContact O-CG2 3.46Å; M22-V26 PolarHBondContact O-N 2.53Å; Q23-V26 PolarHBondContact O-N 3.27Å; V26-S28 PolarHBondContact O-N 3.09Å; V26-T29 WeakPolarHBondContact O-CB 3.24Å; V26-T29 PolarHBondContact O-N 3.05Å; V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 2.8Å; V26-L52 HydrophobicContact CG1-CD1 4.34Å; V26-L52 HydrophobicContact CG2-CD1 4.2Å; V26-L52 HydrophobicContact CG2-CD2 3.9Å; V26-W60 HydrophobicContact CG2-CH2 3.97Å; V26-W60 HydrophobicContact CG2-CZ3 3.87Å; V26-I80 HydrophobicContact CB-CG2 4.37Å; V26-I80 HydrophobicContact CG1-CG2 3.58Å; V26-V91 HydrophobicContact CG1-CB 3.78Å; V26-V91 HydrophobicContact CG1-CG1 3.66Å; V26-V91 HydrophobicContact CG1-CG2 3.89Å
27I95.2Very high94.4Very high0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-61.8-45.9-178.8-67.8170.2000110.5I6 I11 I13 Q23 T29 V30 V31 I80 F82I6-I27 HydrophobicContact CD1-CG2 3.54Å; I11-I27 HydrophobicContact CD1-CG2 3.3Å; I11-I27 HydrophobicContact CG2-CD1 4.48Å; I11-I27 HydrophobicContact CG2-CG2 4.47Å; I13-I27 HydrophobicContact CD1-CD1 3.94Å; I13-I27 HydrophobicContact CG1-CD1 4.34Å; Q23-I27 WeakPolarHBondContact O-CB 3.35Å; Q23-I27 WeakPolarHBondContact O-CG1 3.43Å; Q23-I27 PolarHBondContact O-N 3.2Å; I27-T29 VanDerWaalsContact C-N 3.27Å; I27-T29 PolarHBondContact O-N 3.29Å; I27-V30 PolarHBondContact O-N 2.82Å; I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 WeakPolarHBondContact O-CG2 3.32Å; I27-V31 PolarHBondContact O-N 3.01Å; I27-I80 HydrophobicContact CD1-CD1 3.76Å; I27-I80 HydrophobicContact CG1-CD1 3.79Å; I27-F82 HydrophobicContact CG1-CE1 4.25Å; I27-F82 HydrophobicContact CG1-CZ 4.45Å
28S94.3Very high93.9Very high48 Ų4848.2 Ų48.234%0.33625%0.25SC..Hα-helixtrans-62.4-37.3179-58.60000111.6M24 V26 A32M24-S28 WeakPolarHBondContact O-CB 3.15Å; M24-S28 PolarHBondContact O-N 2.58Å; M24-S28 PolarHBondContact O-OG 3.43Å; V26-S28 PolarHBondContact O-N 3.09Å; S28-A32 VanDerWaalsContact O-CB 3.32Å; S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.05Å
29T96.4Very high93.3Very high4 Ų453.8 Ų53.83%0.02528%0.28CS..Hα-helixtrans-64.5-43.5174.7-65.40000112D25 V26 I27 A33 F47 I48 K51 L52D25-T29 VanDerWaalsContact O-CB 3.25Å; D25-T29 WeakPolarHBondContact O-CB 3.48Å; D25-T29 PolarHBondContact O-N 3.43Å; D25-T29 PolarHBondContact O-OG1 2.92Å; V26-T29 WeakPolarHBondContact O-CB 3.24Å; V26-T29 PolarHBondContact O-N 3.05Å; I27-T29 VanDerWaalsContact C-N 3.27Å; I27-T29 PolarHBondContact O-N 3.29Å; T29-A33 WeakPolarHBondContact O-CB 3.36Å; T29-A33 PolarHBondContact O-N 3.32Å; T29-F47 HydrophobicContact CG2-CE1 4.22Å; T29-I48 HydrophobicContact CG2-CB 4.43Å; T29-I48 HydrophobicContact CG2-CG1 4.29Å; T29-I48 HydrophobicContact CG2-CG2 4.27Å; T29-K51 HydrophobicContact CG2-CB 4.14Å; T29-K51 HydrophobicContact CG2-CD 3.82Å; T29-K51 HydrophobicContact CG2-CG 4.14Å; T29-L52 HydrophobicContact CG2-CD2 4.44Å; T29-L52 HydrophobicContact CG2-CG 4.4Å
30V95.1Very high93.1Very high0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-64.2-46.6176174.80000111.2V26 I27 A32 A33 L34 I48 Y62 F82 V89 V91V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 2.8Å; I27-V30 PolarHBondContact O-N 2.82Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.47Å; V30-A33 PolarHBondContact O-N 3.46Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 2.89Å; V30-I48 HydrophobicContact CB-CD1 4.42Å; V30-I48 HydrophobicContact CG1-CD1 4.45Å; V30-I48 HydrophobicContact CG2-CD1 4.11Å; V30-I48 HydrophobicContact CG2-CG2 4.4Å; V30-Y62 HydrophobicContact CG1-CE2 3.98Å; V30-Y62 HydrophobicContact CG2-CD2 4.32Å; V30-Y62 HydrophobicContact CG2-CE2 4.14Å; V30-F82 HydrophobicContact CB-CZ 4.1Å; V30-F82 HydrophobicContact CG1-CE2 4.47Å; V30-F82 HydrophobicContact CG1-CZ 3.95Å; V30-F82 HydrophobicContact CG2-CZ 4.12Å; V30-V89 HydrophobicContact CG1-CG1 4.2Å; V30-V91 HydrophobicContact CG2-CG2 3.72Å
31V92.2Very high92.9Very high2 Ų253.9 Ų53.91%0.01227%0.273CS..Hα-helixtrans-63.2-41.8-179.3174.40000111.1I6 H7 I11 I27 A33 L34 H35I6-V31 HydrophobicContact CB-CG2 4.37Å; I6-V31 HydrophobicContact CG2-CB 4.25Å; I6-V31 HydrophobicContact CG2-CG1 4Å; I6-V31 HydrophobicContact CG2-CG2 4.16Å; H7-V31 HydrophobicContact CB-CG1 3.98Å; I11-V31 HydrophobicContact CD1-CG2 3.64Å; I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 WeakPolarHBondContact O-CG2 3.32Å; I27-V31 PolarHBondContact O-N 3.01Å; V31-A33 VanDerWaalsContact C-N 3.31Å; V31-A33 PolarHBondContact O-N 3.19Å; V31-L34 PolarHBondContact O-N 3.18Å; V31-H35 WeakPolarHBondContact O-CB 3.15Å; V31-H35 PolarHBondContact O-N 2.85Å
32A92.7Very high92.7Very high34 Ų3451.3 Ų51.328%0.28127%0.27SS..Hα-helixtrans-59.9-43.1174.100000111.5S28 V30 H35 M36S28-A32 VanDerWaalsContact O-CB 3.32Å; S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.05Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.47Å; A32-H35 PolarHBondContact O-N 3.45Å; A32-M36 WeakPolarHBondContact O-CB 3.18Å; A32-M36 VanDerWaalsContact O-CG 3.26Å; A32-M36 WeakPolarHBondContact O-CG 3.45Å; A32-M36 PolarHBondContact O-N 3.14Å
33A93.8Very high92.6Very high0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-66.4-41.7178.700000112.4T29 V30 V31 H35 M36 Y37 M44 F47 I48T29-A33 WeakPolarHBondContact O-CB 3.36Å; T29-A33 PolarHBondContact O-N 3.32Å; V30-A33 PolarHBondContact O-N 3.46Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V31-A33 VanDerWaalsContact C-N 3.31Å; V31-A33 PolarHBondContact O-N 3.19Å; A33-H35 VanDerWaalsContact C-N 3.27Å; A33-H35 PolarHBondContact O-N 3.3Å; A33-M36 PolarHBondContact O-N 2.97Å; A33-Y37 HydrophobicContact CB-CD2 4.37Å; A33-Y37 WeakPolarHBondContact O-CB 3.29Å; A33-Y37 WeakPolarHBondContact O-CD2 3.34Å; A33-Y37 PolarHBondContact O-N 2.84Å; A33-M44 HydrophobicContact CB-CG 3.71Å; A33-M44 HydrophobicContact CB-SD 4.2Å; A33-F47 HydrophobicContact CB-CD1 3.5Å; A33-F47 HydrophobicContact CB-CE1 3.87Å; A33-F47 HydrophobicContact CB-CG 4.47Å; A33-I48 HydrophobicContact CB-CD1 3.75Å; A33-I48 HydrophobicContact CB-CG1 3.55Å
34L89.8Confident92.5Very high24 Ų2454.2 Ų54.213%0.12628%0.284CS..Hα-helixtrans-59.4-40.3174.3-76.5169.6000111.6K9 V30 V31 G38 M44 I64K9-L34 HydrophobicContact CD-CD1 4.27Å; V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 2.89Å; V31-L34 PolarHBondContact O-N 3.18Å; L34-G38 WeakPolarHBondContact O-CA 3.32Å; L34-G38 PolarHBondContact O-N 2.93Å; L34-G38 VanDerWaalsContact O-N 3.08Å; L34-M44 HydrophobicContact CB-SD 4.47Å; L34-M44 HydrophobicContact CD2-CE 3.89Å; L34-M44 HydrophobicContact CD2-SD 3.51Å; L34-M44 VanDerWaalsContact CD2-SD 3.51Å; L34-M44 HydrophobicContact CG-SD 3.8Å; L34-I64 HydrophobicContact CD2-CD1 4.01Å
35H88.3Confident92.6Very high155 Ų15554.9 Ų54.972%0.71828%0.284SS*.Hα-helixtrans-69.7-40.2177.2-176.9-84.7000112.4V31 A32 A33V31-H35 WeakPolarHBondContact O-CB 3.15Å; V31-H35 PolarHBondContact O-N 2.85Å; A32-H35 PolarHBondContact O-N 3.45Å; A33-H35 VanDerWaalsContact C-N 3.27Å; A33-H35 PolarHBondContact O-N 3.3Å
36M91.2Very high92.6Very high114 Ų11459.2 Ų59.256%0.56230%0.301SS*.Hα-helixtrans-75.7-37.3-176.4-72.2176.368.800113.9A32 A33 F47A32-M36 WeakPolarHBondContact O-CB 3.18Å; A32-M36 VanDerWaalsContact O-CG 3.26Å; A32-M36 WeakPolarHBondContact O-CG 3.45Å; A32-M36 PolarHBondContact O-N 3.14Å; A33-M36 PolarHBondContact O-N 2.97Å; M36-F47 HydrophobicContact CE-CE2 4.47Å; M36-F47 HydrophobicContact SD-CE2 4.21Å; M36-F47 HydrophobicContact SD-CZ 4.17Å
37Y91.3Very high92.6Very high54 Ų5461.4 Ų61.421%0.21231%0.31CS..Hα-helixtrans-113.6-10.2-168.9-62.4-69.5000113.6A33 N39 E40 Q43 M44 F47A33-Y37 HydrophobicContact CB-CD2 4.37Å; A33-Y37 WeakPolarHBondContact O-CB 3.29Å; A33-Y37 WeakPolarHBondContact O-CD2 3.34Å; A33-Y37 PolarHBondContact O-N 2.84Å; Y37-N39 PolarHBondContact O-N 3.1Å; Y37-E40 WeakPolarHBondContact O-CB 3.49Å; Y37-E40 WeakPolarHBondContact O-CG 3.4Å; Y37-E40 PolarHBondContact O-N 2.81Å; Y37-Q43 HydrophobicContact CD1-CB 3.52Å; Y37-Q43 HydrophobicContact CD1-CG 4.41Å; Y37-Q43 HydrophobicContact CE1-CB 3.75Å; Y37-Q43 HydrophobicContact CG-CB 4.04Å; Y37-M44 HydrophobicContact CD2-CB 4.3Å; Y37-F47 HydrophobicContact CD2-CB 4.44Å; Y37-F47 HydrophobicContact CE2-CB 3.59Å; Y37-F47 HydrophobicContact CE2-CD1 4.33Å; Y37-F47 AromaticContact CE2-CD2 3.96Å; Y37-F47 HydrophobicContact CE2-CD2 3.96Å; Y37-F47 AromaticContact CE2-CG 3.72Å; Y37-F47 HydrophobicContact CE2-CG 3.72Å
38G84Confident92.7Very high35 Ų3561.4 Ų61.436%0.36131%0.31SS..THydrogen-bonded Turntrans53.8-109.9-177.500000111.9L34L34-G38 WeakPolarHBondContact O-CA 3.32Å; L34-G38 PolarHBondContact O-N 2.93Å; L34-G38 VanDerWaalsContact O-N 3.08Å
39N83.6Confident92.9Very high131 Ų13160.8 Ų60.870%0.70130%0.302SS*.THydrogen-bonded Turntrans-96.54.7-178.3-63.2-32.4000114.1Y37 Y41Y37-N39 PolarHBondContact O-N 3.1Å; N39-Y41 VanDerWaalsContact O-CD2 3.31Å; N39-Y41 WeakPolarHBondContact O-CD2 3.34Å; N39-Y41 PolarHBondContact O-N 3.09Å
40E91.5Very high93Very high104 Ų10463.3 Ų63.349%0.48632%0.32SS..  trans-77.970.5178.1-60.6-168.596.700111.6Y37 T42 Q43 M44Y37-E40 WeakPolarHBondContact O-CB 3.49Å; Y37-E40 WeakPolarHBondContact O-CG 3.4Å; Y37-E40 PolarHBondContact O-N 2.81Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 2.88Å; E40-T42 VanDerWaalsContact O-N 3.12Å; E40-Q43 HydrophobicContact CB-CB 4.24Å; E40-Q43 HydrophobicContact CB-CG 4.25Å; E40-Q43 PolarHBondContact O-N 3.45Å; E40-Q43 PolarHBondContact OE1-NE2 2.95Å; E40-Q43 PolarHBondContact OE2-NE2 3.49Å; E40-M44 PolarHBondContact O-N 3.31Å
41Y90.9Very high93.1Very high113 Ų11367.1 Ų67.144%0.44334%0.337SS..Hα-helixtrans-53.7-37.6-171.4-62.6-61000114.2N39 M44 K45 I64N39-Y41 VanDerWaalsContact O-CD2 3.31Å; N39-Y41 WeakPolarHBondContact O-CD2 3.34Å; N39-Y41 PolarHBondContact O-N 3.09Å; Y41-M44 HydrophobicContact CD1-CE 3.5Å; Y41-M44 HydrophobicContact CE1-CE 4Å; Y41-K45 VanDerWaalsContact O-CB 3.27Å; Y41-K45 WeakPolarHBondContact O-CB 3.44Å; Y41-K45 PolarHBondContact O-N 3.2Å; Y41-I64 HydrophobicContact CD1-CG2 3.62Å; Y41-I64 HydrophobicContact CE1-CD1 4.37Å; Y41-I64 HydrophobicContact CE1-CG2 3.85Å
42T93.5Very high93.4Very high99 Ų9967.1 Ų67.161%0.60734%0.336SS*.Hα-helixtrans-65.5-41.7178.2-57.40000112.1E40 K46E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 2.88Å; E40-T42 VanDerWaalsContact O-N 3.12Å; T42-K46 WeakPolarHBondContact O-CG 3.21Å; T42-K46 PolarHBondContact O-N 3.4Å
43Q94.3Very high93.7Very high89 Ų8967.5 Ų67.542%0.41633%0.334SS..Hα-helixtrans-70-44.7177.9-61.3-15557.200110.6Y37 E40 K45 K46 F47Y37-Q43 HydrophobicContact CD1-CB 3.52Å; Y37-Q43 HydrophobicContact CD1-CG 4.41Å; Y37-Q43 HydrophobicContact CE1-CB 3.75Å; Y37-Q43 HydrophobicContact CG-CB 4.04Å; E40-Q43 HydrophobicContact CB-CB 4.24Å; E40-Q43 HydrophobicContact CB-CG 4.25Å; E40-Q43 PolarHBondContact O-N 3.45Å; E40-Q43 PolarHBondContact OE1-NE2 2.95Å; E40-Q43 PolarHBondContact OE2-NE2 3.49Å; Q43-K45 PolarHBondContact O-N 2.69Å; Q43-K46 PolarHBondContact O-N 2.88Å; Q43-F47 WeakPolarHBondContact O-CB 3.47Å; Q43-F47 PolarHBondContact O-N 2.85Å
44M94.5Very high93.9Very high0 Ų075.5 Ų75.50%037%0.369CS..Hα-helixtrans-57-47.6175.5173.416261.300112.1A33 L34 Y37 E40 Y41 K46 F47 I48 Y62 I64A33-M44 HydrophobicContact CB-CG 3.71Å; A33-M44 HydrophobicContact CB-SD 4.2Å; L34-M44 HydrophobicContact CB-SD 4.47Å; L34-M44 HydrophobicContact CD2-CE 3.89Å; L34-M44 HydrophobicContact CD2-SD 3.51Å; L34-M44 VanDerWaalsContact CD2-SD 3.51Å; L34-M44 HydrophobicContact CG-SD 3.8Å; Y37-M44 HydrophobicContact CD2-CB 4.3Å; E40-M44 PolarHBondContact O-N 3.31Å; Y41-M44 HydrophobicContact CD1-CE 3.5Å; Y41-M44 HydrophobicContact CE1-CE 4Å; M44-K46 PolarHBondContact O-N 3.43Å; M44-F47 PolarHBondContact O-N 2.79Å; M44-I48 HydrophobicContact CG-CD1 3.51Å; M44-I48 HydrophobicContact CG-CG1 4.34Å; M44-I48 VanDerWaalsContact O-CG1 3.29Å; M44-I48 WeakPolarHBondContact O-CG1 3.41Å; M44-I48 PolarHBondContact O-N 2.99Å; M44-I48 HydrophobicContact SD-CD1 4.3Å; M44-Y62 HydrophobicContact CE-CE1 3.87Å; M44-Y62 WeakPolarHBondContact CE-OH 3.38Å; M44-Y62 HydrophobicContact CG-CE1 3.98Å; M44-Y62 HydrophobicContact SD-CE1 4.28Å; M44-Y62 PolarHBondContact SD-OH 2.87Å; M44-Y62 VanDerWaalsContact SD-OH 3.33Å; M44-I64 HydrophobicContact CE-CD1 4.23Å; M44-I64 HydrophobicContact CE-CG2 4.23Å
45K96.6Very high94.2Very high91 Ų9179 Ų7940%0.39639%0.387SS..Hα-helixtrans-57-51.5177-178.4173.6-175.5170.50111.2Y41 Q43 F47 I48 E49 Y62Y41-K45 VanDerWaalsContact O-CB 3.27Å; Y41-K45 WeakPolarHBondContact O-CB 3.44Å; Y41-K45 PolarHBondContact O-N 3.2Å; Q43-K45 PolarHBondContact O-N 2.69Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3.1Å; K45-I48 PolarHBondContact O-N 3.46Å; K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 HydrophobicContact CG-CG 4.25Å; K45-E49 IonicContact NZ-OE1 2.76Å; K45-E49 WeakPolarHBondContact O-CB 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.25Å; K45-E49 PolarHBondContact O-N 2.95Å; K45-Y62 HydrophobicContact CB-CD1 4.12Å; K45-Y62 HydrophobicContact CG-CD1 4.39Å
46K97.2Very high94.7Very high146 Ų14674.1 Ų74.164%0.63536%0.362SS*.Hα-helixtrans-58.4-42.6178.5-73.5176.7-179.1-178.60112.1T42 Q43 M44 S50T42-K46 WeakPolarHBondContact O-CG 3.21Å; T42-K46 PolarHBondContact O-N 3.4Å; Q43-K46 PolarHBondContact O-N 2.88Å; M44-K46 PolarHBondContact O-N 3.43Å; K46-S50 WeakPolarHBondContact O-CB 3.46Å; K46-S50 PolarHBondContact O-N 2.76Å
47F97.6Very high94.9Very high46 Ų4674.8 Ų74.820%0.20237%0.368CS..Hα-helixtrans-62.8-51.1178173.5-90.6000111.9T29 A33 M36 Y37 Q43 M44 K45 K51T29-F47 HydrophobicContact CG2-CE1 4.22Å; A33-F47 HydrophobicContact CB-CD1 3.5Å; A33-F47 HydrophobicContact CB-CE1 3.87Å; A33-F47 HydrophobicContact CB-CG 4.47Å; M36-F47 HydrophobicContact CE-CE2 4.47Å; M36-F47 HydrophobicContact SD-CE2 4.21Å; M36-F47 HydrophobicContact SD-CZ 4.17Å; Y37-F47 HydrophobicContact CD2-CB 4.44Å; Y37-F47 HydrophobicContact CE2-CB 3.59Å; Y37-F47 HydrophobicContact CE2-CD1 4.33Å; Y37-F47 AromaticContact CE2-CD2 3.96Å; Y37-F47 HydrophobicContact CE2-CD2 3.96Å; Y37-F47 AromaticContact CE2-CG 3.72Å; Y37-F47 HydrophobicContact CE2-CG 3.72Å; Q43-F47 WeakPolarHBondContact O-CB 3.47Å; Q43-F47 PolarHBondContact O-N 2.85Å; M44-F47 PolarHBondContact O-N 2.79Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3.1Å; F47-K51 HydrophobicContact CE1-CD 4.25Å; F47-K51 HydrophobicContact CZ-CD 4.06Å; F47-K51 VanDerWaalsContact O-CB 3.28Å; F47-K51 WeakPolarHBondContact O-CB 3.31Å; F47-K51 PolarHBondContact O-N 3.01Å
48I98.3Very high95.1Very high0 Ų075.8 Ų75.80%038%0.381CS..Hα-helixtrans-63.8-51.3-177-65.5165.7000110.2T29 V30 A33 M44 K45 S50 K51 L52 Y62T29-I48 HydrophobicContact CG2-CB 4.43Å; T29-I48 HydrophobicContact CG2-CG1 4.29Å; T29-I48 HydrophobicContact CG2-CG2 4.27Å; V30-I48 HydrophobicContact CB-CD1 4.42Å; V30-I48 HydrophobicContact CG1-CD1 4.45Å; V30-I48 HydrophobicContact CG2-CD1 4.11Å; V30-I48 HydrophobicContact CG2-CG2 4.4Å; A33-I48 HydrophobicContact CB-CD1 3.75Å; A33-I48 HydrophobicContact CB-CG1 3.55Å; M44-I48 HydrophobicContact CG-CD1 3.51Å; M44-I48 HydrophobicContact CG-CG1 4.34Å; M44-I48 VanDerWaalsContact O-CG1 3.29Å; M44-I48 WeakPolarHBondContact O-CG1 3.41Å; M44-I48 PolarHBondContact O-N 2.99Å; M44-I48 HydrophobicContact SD-CD1 4.3Å; K45-I48 PolarHBondContact O-N 3.46Å; I48-S50 PolarHBondContact O-N 2.87Å; I48-K51 PolarHBondContact O-N 3.47Å; I48-L52 HydrophobicContact CG2-CD1 3.77Å; I48-L52 HydrophobicContact CG2-CG 4.37Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.33Å; I48-L52 PolarHBondContact O-N 2.81Å; I48-Y62 HydrophobicContact CB-CG 4.45Å; I48-Y62 HydrophobicContact CD1-CD1 3.99Å; I48-Y62 HydrophobicContact CD1-CD2 3.47Å; I48-Y62 VanDerWaalsContact CD1-CD2 3.47Å; I48-Y62 HydrophobicContact CD1-CE1 3.97Å; I48-Y62 HydrophobicContact CD1-CE2 3.44Å; I48-Y62 VanDerWaalsContact CD1-CE2 3.44Å; I48-Y62 HydrophobicContact CD1-CG 3.73Å; I48-Y62 HydrophobicContact CG2-CD2 4.2Å; I48-Y62 HydrophobicContact CG2-CG 4.31Å
49E98.2Very high95.6Very high36 Ų3677.1 Ų77.117%0.16838%0.382CS..Hα-helixtrans-62.5-44.9-178.6-66.3179.8165.700110.9K45 K51 L52 N53 W60 H61 Y62K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 HydrophobicContact CG-CG 4.25Å; K45-E49 IonicContact NZ-OE1 2.76Å; K45-E49 WeakPolarHBondContact O-CB 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.25Å; K45-E49 PolarHBondContact O-N 2.95Å; E49-K51 PolarHBondContact O-N 3.37Å; E49-L52 PolarHBondContact O-N 3.32Å; E49-N53 WeakPolarHBondContact O-CB 3.36Å; E49-N53 PolarHBondContact O-N 2.95Å; E49-N53 PolarHBondContact O-ND2 2.88Å; E49-N53 PolarHBondContact O-OD1 2.84Å; E49-W60 WeakPolarHBondContact CG-O 3.4Å; E49-H61 WeakPolarHBondContact OE1-CA 3.15Å; E49-Y62 PolarHBondContact OE1-N 2.82Å; E49-Y62 VanDerWaalsContact OE1-N 3.1Å
50S97.9Very high96.3Very high57 Ų5771 Ų7140%0.39935%0.349SS..Hα-helixtrans-61.4-43.8177.1-1770000112.4K46 I48 K54K46-S50 WeakPolarHBondContact O-CB 3.46Å; K46-S50 PolarHBondContact O-N 2.76Å; I48-S50 PolarHBondContact O-N 2.87Å; S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.46Å; S50-K54 PolarHBondContact O-N 3.19Å; S50-K54 VanDerWaalsContact O-N 3.14Å
51K98.3Very high96.5Very high80 Ų8068.6 Ų68.635%0.34834%0.338SS..Hα-helixtrans-68-43.5-179.6-175.7165.1174.8-177.70111.9T29 F47 I48 E49 K54 L55T29-K51 HydrophobicContact CG2-CB 4.14Å; T29-K51 HydrophobicContact CG2-CD 3.82Å; T29-K51 HydrophobicContact CG2-CG 4.14Å; F47-K51 HydrophobicContact CE1-CD 4.25Å; F47-K51 HydrophobicContact CZ-CD 4.06Å; F47-K51 VanDerWaalsContact O-CB 3.28Å; F47-K51 WeakPolarHBondContact O-CB 3.31Å; F47-K51 PolarHBondContact O-N 3.01Å; I48-K51 PolarHBondContact O-N 3.47Å; E49-K51 PolarHBondContact O-N 3.37Å; K51-K54 PolarHBondContact O-N 2.96Å; K51-L55 HydrophobicContact CG-CD1 4.11Å; K51-L55 WeakPolarHBondContact O-CG 2.83Å; K51-L55 PolarHBondContact O-N 2.88Å; K51-L55 VanDerWaalsContact O-N 3.1Å
52L98.6Very high96.8Very high1 Ų163.6 Ų63.61%0.00532%0.318CS..Hα-helixtrans-71-37.6178.4-64.7178.6000112.3V26 T29 I48 E49 K54 L55 Y56 W60 V91V26-L52 HydrophobicContact CG1-CD1 4.34Å; V26-L52 HydrophobicContact CG2-CD1 4.2Å; V26-L52 HydrophobicContact CG2-CD2 3.9Å; T29-L52 HydrophobicContact CG2-CD2 4.44Å; T29-L52 HydrophobicContact CG2-CG 4.4Å; I48-L52 HydrophobicContact CG2-CD1 3.77Å; I48-L52 HydrophobicContact CG2-CG 4.37Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.33Å; I48-L52 PolarHBondContact O-N 2.81Å; E49-L52 PolarHBondContact O-N 3.32Å; L52-K54 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 3.31Å; L52-Y56 HydrophobicContact CD2-CD2 4.41Å; L52-Y56 PolarHBondContact O-N 2.89Å; L52-W60 HydrophobicContact CB-CB 3.83Å; L52-W60 HydrophobicContact CB-CD2 3.72Å; L52-W60 HydrophobicContact CB-CE3 4.26Å; L52-W60 HydrophobicContact CB-CG 3.5Å; L52-W60 HydrophobicContact CD1-CB 4.46Å; L52-W60 HydrophobicContact CD1-CD2 4.03Å; L52-W60 HydrophobicContact CD1-CE3 3.68Å; L52-W60 HydrophobicContact CD1-CG 4.38Å; L52-W60 HydrophobicContact CD1-CZ3 4.23Å; L52-W60 HydrophobicContact CG-CD2 4.45Å; L52-V91 HydrophobicContact CD1-CG1 3.64Å
53N98.1Very high96.8Very high43 Ų4361.3 Ų61.323%0.2330%0.302CS..Hα-helixtrans-58.9-36172.3-72.2-16.6000111.9E49 L57 P58 W60E49-N53 WeakPolarHBondContact O-CB 3.36Å; E49-N53 PolarHBondContact O-N 2.95Å; E49-N53 PolarHBondContact O-ND2 2.88Å; E49-N53 PolarHBondContact O-OD1 2.84Å; N53-L57 CarbonylContact O-C 3.56Å; N53-L57 WeakPolarHBondContact O-CA 3.32Å; N53-L57 PolarHBondContact O-N 3.21Å; N53-L57 VanDerWaalsContact O-N 3.12Å; N53-P58 HydrophobicContact CB-CB 4.28Å; N53-P58 WeakPolarHBondContact OD1-CA 3.41Å; N53-W60 WeakPolarHBondContact OD1-CB 3.04Å; N53-W60 PolarHBondContact OD1-N 2.97Å
54K98Very high96.7Very high168 Ų16858 Ų5873%0.7329%0.287SS*.Hα-helixtrans-72.1-38175.9-72.9173.1-175.5-177.80113.1S50 K51 L52S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.46Å; S50-K54 PolarHBondContact O-N 3.19Å; S50-K54 VanDerWaalsContact O-N 3.14Å; K51-K54 PolarHBondContact O-N 2.96Å; L52-K54 PolarHBondContact O-N 3.45Å
55L97.4Very high96.4Very high96 Ų9660 Ų6050%0.50331%0.307SS..Hα-helixtrans-80-38.5-177.1-71.7170.3000112.9K51 L52K51-L55 HydrophobicContact CG-CD1 4.11Å; K51-L55 WeakPolarHBondContact O-CG 2.83Å; K51-L55 PolarHBondContact O-N 2.88Å; K51-L55 VanDerWaalsContact O-N 3.1Å; L52-L55 PolarHBondContact O-N 3.31Å
56Y97.4Very high96Very high53 Ų5363.8 Ų63.821%0.20832%0.32CS..Hα-helixtrans-131.517.7-165-69.2-65.8000113.8M22 D25 L52 W60M22-Y56 HydrophobicContact CE-CD1 3.83Å; M22-Y56 HydrophobicContact CE-CE1 3.8Å; M22-Y56 HydrophobicContact CG-CD2 4.45Å; M22-Y56 HydrophobicContact CG-CE1 4.15Å; M22-Y56 HydrophobicContact CG-CE2 4.06Å; D25-Y56 HydrophobicContact CB-CE2 3.95Å; D25-Y56 PolarHBondContact OD2-OH 3.37Å; L52-Y56 HydrophobicContact CD2-CD2 4.41Å; L52-Y56 PolarHBondContact O-N 2.89Å; Y56-W60 HydrophobicContact CD2-CZ2 4.22Å; Y56-W60 HydrophobicContact CG-CZ2 4.07Å
57L95.4Very high95.6Very high128 Ų12861.9 Ų61.967%0.6732%0.317SS*.  trans63.1151.4-175.9-55.8175.7000113.7N53 W60 K93N53-L57 CarbonylContact O-C 3.56Å; N53-L57 WeakPolarHBondContact O-CA 3.32Å; N53-L57 PolarHBondContact O-N 3.21Å; N53-L57 VanDerWaalsContact O-N 3.12Å; L57-W60 PolarHBondContact O-NE1 2.98Å; L57-W60 VanDerWaalsContact O-NE1 3.09Å; L57-K93 WeakPolarHBondContact O-CE 3.4Å
58P95.3Very high95.2Very high75 Ų7561 Ų6149%0.48732%0.315SS..SBendtrans-69.2162.417828.3-34.8000113.7N53 K93N53-P58 HydrophobicContact CB-CB 4.28Å; N53-P58 WeakPolarHBondContact OD1-CA 3.41Å; P58-K93 WeakPolarHBondContact O-CE 3.38Å; P58-K93 PolarHBondContact O-NZ 2.75Å
59T95.6Very high94.7Very high64 Ų6465.2 Ų65.239%0.39334%0.338SS..  cis-110.9119.90.1-50.40000111.4H61 K93 T94T59-H61 VanDerWaalsContact CG2-CE1 3.46Å; T59-H61 WeakPolarHBondContact CG2-CE1 3.38Å; T59-K93 WeakPolarHBondContact O-CA 3.5Å; T59-T94 PolarHBondContact O-N 3.05Å; T59-T94 PolarHBondContact O-OG1 2.77Å; T59-T94 VanDerWaalsContact O-OG1 3.08Å
60W98Very high94Very high1 Ų164.7 Ų64.70%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-92.2145.6172.7-72.782.2000111.4M18 M22 V26 E49 L52 N53 Y56 L57 Y78 V91 F92 K93M18-W60 HydrophobicContact CE-CH2 4.28Å; M18-W60 HydrophobicContact CE-CZ3 4.28Å; M22-W60 HydrophobicContact CG-CH2 4.4Å; M22-W60 HydrophobicContact SD-CH2 3.87Å; M22-W60 HydrophobicContact SD-CZ2 4.14Å; V26-W60 HydrophobicContact CG2-CH2 3.97Å; V26-W60 HydrophobicContact CG2-CZ3 3.87Å; E49-W60 WeakPolarHBondContact CG-O 3.4Å; L52-W60 HydrophobicContact CB-CB 3.83Å; L52-W60 HydrophobicContact CB-CD2 3.72Å; L52-W60 HydrophobicContact CB-CE3 4.26Å; L52-W60 HydrophobicContact CB-CG 3.5Å; L52-W60 HydrophobicContact CD1-CB 4.46Å; L52-W60 HydrophobicContact CD1-CD2 4.03Å; L52-W60 HydrophobicContact CD1-CE3 3.68Å; L52-W60 HydrophobicContact CD1-CG 4.38Å; L52-W60 HydrophobicContact CD1-CZ3 4.23Å; L52-W60 HydrophobicContact CG-CD2 4.45Å; N53-W60 WeakPolarHBondContact OD1-CB 3.04Å; N53-W60 PolarHBondContact OD1-N 2.97Å; Y56-W60 HydrophobicContact CD2-CZ2 4.22Å; Y56-W60 HydrophobicContact CG-CZ2 4.07Å; L57-W60 PolarHBondContact O-NE1 2.98Å; L57-W60 VanDerWaalsContact O-NE1 3.09Å; W60-Y78 HydrophobicContact CZ2-CD2 4.35Å; W60-V91 HydrophobicContact CE3-CG1 3.73Å; W60-V91 HydrophobicContact CZ3-CG1 3.94Å; W60-F92 CarbonylContact C-O 3.48Å; W60-F92 WeakPolarHBondContact CA-O 3.46Å; W60-K93 HydrophobicContact CD2-CB 3.77Å; W60-K93 HydrophobicContact CD2-CG 4.05Å; W60-K93 HydrophobicContact CE3-CB 3.99Å; W60-K93 HydrophobicContact CG-CB 4.33Å; W60-K93 HydrophobicContact CG-CG 4.2Å; W60-K93 HydrophobicContact CH2-CB 4.14Å; W60-K93 HydrophobicContact CZ2-CB 3.9Å; W60-K93 HydrophobicContact CZ2-CD 4.11Å; W60-K93 HydrophobicContact CZ2-CG 4.25Å; W60-K93 HydrophobicContact CZ3-CB 4.18Å
61H96.3Very high93.4Very high55 Ų5565.3 Ų65.326%0.25534%0.342SS..EExtended strand (participates in β ladder)trans-130.2141.8-179.7-59.8-67000111E49 T59 V91 F92 T94E49-H61 WeakPolarHBondContact OE1-CA 3.15Å; T59-H61 VanDerWaalsContact CG2-CE1 3.46Å; T59-H61 WeakPolarHBondContact CG2-CE1 3.38Å; H61-V91 WeakPolarHBondContact O-CA 3.28Å; H61-F92 HydrophobicContact CB-CD1 4.02Å; H61-F92 HydrophobicContact CB-CD2 4.24Å; H61-F92 HydrophobicContact CB-CE1 3.54Å; H61-F92 HydrophobicContact CB-CE2 3.81Å; H61-F92 HydrophobicContact CB-CG 4.35Å; H61-F92 HydrophobicContact CB-CZ 3.43Å; H61-F92 VanDerWaalsContact CB-CZ 3.43Å; H61-F92 AromaticContact CD2-CD2 3.98Å; H61-F92 AromaticContact CD2-CE2 3.43Å; H61-F92 VanDerWaalsContact CD2-CE2 3.43Å; H61-F92 WeakPolarHBondContact CD2-CE2 3.46Å; H61-F92 AromaticContact CD2-CZ 3.87Å; H61-F92 AromaticContact CG-CE2 3.87Å; H61-F92 AromaticContact CG-CZ 3.83Å; H61-F92 PolarHBondContact N-O 2.95Å; H61-F92 PolarHBondContact O-N 3.26Å; H61-T94 PolarHBondContact NE2-OG1 2.97Å
62Y96.3Very high92.8Very high7 Ų768.1 Ų68.13%0.02736%0.36CS..EExtended strand (participates in β ladder)trans-123.4131.2177170.5-97.8000111.8V30 M44 K45 I48 E49 I64 V89 V91V30-Y62 HydrophobicContact CG1-CE2 3.98Å; V30-Y62 HydrophobicContact CG2-CD2 4.32Å; V30-Y62 HydrophobicContact CG2-CE2 4.14Å; M44-Y62 HydrophobicContact CE-CE1 3.87Å; M44-Y62 WeakPolarHBondContact CE-OH 3.38Å; M44-Y62 HydrophobicContact CG-CE1 3.98Å; M44-Y62 HydrophobicContact SD-CE1 4.28Å; M44-Y62 PolarHBondContact SD-OH 2.87Å; M44-Y62 VanDerWaalsContact SD-OH 3.33Å; K45-Y62 HydrophobicContact CB-CD1 4.12Å; K45-Y62 HydrophobicContact CG-CD1 4.39Å; I48-Y62 HydrophobicContact CB-CG 4.45Å; I48-Y62 HydrophobicContact CD1-CD1 3.99Å; I48-Y62 HydrophobicContact CD1-CD2 3.47Å; I48-Y62 VanDerWaalsContact CD1-CD2 3.47Å; I48-Y62 HydrophobicContact CD1-CE1 3.97Å; I48-Y62 HydrophobicContact CD1-CE2 3.44Å; I48-Y62 VanDerWaalsContact CD1-CE2 3.44Å; I48-Y62 HydrophobicContact CD1-CG 3.73Å; I48-Y62 HydrophobicContact CG2-CD2 4.2Å; I48-Y62 HydrophobicContact CG2-CG 4.31Å; E49-Y62 PolarHBondContact OE1-N 2.82Å; E49-Y62 VanDerWaalsContact OE1-N 3.1Å; Y62-I64 HydrophobicContact CE1-CB 4.02Å; Y62-I64 HydrophobicContact CE1-CG2 3.7Å; Y62-I64 WeakPolarHBondContact OH-CB 3.49Å; Y62-I64 VanDerWaalsContact OH-CD1 3.25Å; Y62-I64 WeakPolarHBondContact OH-CD1 3.32Å; Y62-V89 HydrophobicContact CD2-CG1 4.22Å; Y62-V89 HydrophobicContact CE2-CG1 3.62Å; Y62-V91 HydrophobicContact CD2-CG2 3.83Å
63I93.8Very high92.1Very high51 Ų5169.4 Ų69.426%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-132.9135.3176.4-55.9177.5000109.1V68 V89 T90 F92I63-V68 HydrophobicContact CB-CG2 4.29Å; I63-V68 HydrophobicContact CD1-CG2 4.14Å; I63-V68 HydrophobicContact CG2-CG2 3.8Å; I63-V89 WeakPolarHBondContact O-CA 3.24Å; I63-T90 PolarHBondContact N-O 2.92Å; I63-T90 PolarHBondContact O-N 3.19Å; I63-F92 HydrophobicContact CD1-CE1 3.83Å; I63-F92 HydrophobicContact CD1-CZ 4.49Å; I63-F92 HydrophobicContact CG1-CE1 4.3Å
64I92.5Very high91.3Very high21 Ų2175.1 Ų75.111%0.10839%0.394CS..EExtended strand (participates in β ladder)trans-134.1150.9175.3-175.4166.5000110.7L34 Y41 M44 Y62 Y66 N87 N88 V89L34-I64 HydrophobicContact CD2-CD1 4.01Å; Y41-I64 HydrophobicContact CD1-CG2 3.62Å; Y41-I64 HydrophobicContact CE1-CD1 4.37Å; Y41-I64 HydrophobicContact CE1-CG2 3.85Å; M44-I64 HydrophobicContact CE-CD1 4.23Å; M44-I64 HydrophobicContact CE-CG2 4.23Å; Y62-I64 HydrophobicContact CE1-CB 4.02Å; Y62-I64 HydrophobicContact CE1-CG2 3.7Å; Y62-I64 WeakPolarHBondContact OH-CB 3.49Å; Y62-I64 VanDerWaalsContact OH-CD1 3.25Å; Y62-I64 WeakPolarHBondContact OH-CD1 3.32Å; I64-Y66 WeakPolarHBondContact O-CD2 3.48Å; I64-N87 HydrophobicContact CD1-CB 3.91Å; I64-N87 HydrophobicContact CG1-CB 3.89Å; I64-N88 CarbonylContact C-O 3.49Å; I64-N88 VanDerWaalsContact CA-O 3.29Å; I64-N88 WeakPolarHBondContact CA-O 3.35Å; I64-V89 HydrophobicContact CB-CG2 4.48Å; I64-V89 HydrophobicContact CD1-CG2 4.02Å; I64-V89 HydrophobicContact CG1-CG2 4.01Å
65G88.2Confident90.8Very high40 Ų4070.8 Ų70.841%0.41238%0.383SS..SBendtrans94.3-12.2171.600000114.3N88G65-N88 PolarHBondContact N-O 2.85Å
66Y88.5Confident90.5Very high172 Ų17268.1 Ų68.168%0.67537%0.371SS*.SBendtrans-125.5144.5-178.7-55.9-82.2000110.6I64 V68 N88I64-Y66 WeakPolarHBondContact O-CD2 3.48Å; Y66-V68 PolarHBondContact O-N 3.44Å; Y66-N88 WeakPolarHBondContact O-CB 3.32Å
67D87.6Confident90.4Very high106 Ų10669.4 Ų69.457%0.56738%0.379SS*.  trans-76.9119.1164.6-146.4-23.3000107.7K14K14-D67 IonicContact NZ-OD1 2.73Å; K14-D67 IonicContact NZ-OD2 3.74Å; K14-D67 PolarHBondContact NZ-OD2 2.86Å
68V89.1Confident90.5Very high28 Ų2866.6 Ų66.617%0.1736%0.36CS..  trans-100.3118.8-175.5-178.50000107.9I63 Y66 S70 L73 T90I63-V68 HydrophobicContact CB-CG2 4.29Å; I63-V68 HydrophobicContact CD1-CG2 4.14Å; I63-V68 HydrophobicContact CG2-CG2 3.8Å; Y66-V68 PolarHBondContact O-N 3.44Å; V68-S70 PolarHBondContact O-N 3.27Å; V68-L73 HydrophobicContact CG1-CD1 3.73Å; V68-L73 HydrophobicContact CG1-CD2 4Å; V68-L73 HydrophobicContact CG1-CG 3.94Å; V68-T90 HydrophobicContact CB-CG2 4.26Å
69D88.7Confident90.5Very high88 Ų8863.3 Ų63.347%0.47134%0.338SS..  trans-69.1106.3170-175.1-0.1000109.5S71 L72D69-S71 PolarHBondContact O-N 2.94Å; D69-S71 VanDerWaalsContact O-N 3.09Å; D69-S71 WeakPolarHBondContact OD1-CB 3.35Å; D69-S71 PolarHBondContact OD1-N 3Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 VanDerWaalsContact OD1-OG 3.08Å; D69-S71 PolarHBondContact OD2-OG 3.28Å; D69-L72 HydrophobicContact CB-CD1 4.12Å; D69-L72 HydrophobicContact CB-CG 4.16Å; D69-L72 WeakPolarHBondContact O-CB 3.29Å; D69-L72 PolarHBondContact O-N 2.86Å
70S82.7Confident90.6Very high25 Ų2560.2 Ų60.218%0.17532%0.319CS..G310 helixtrans-56.8-20.7176.658.50000114.5K15 V68 L72 L73K15-S70 PolarHBondContact NZ-OG 3.48Å; V68-S70 PolarHBondContact O-N 3.27Å; S70-L72 PolarHBondContact O-N 2.96Å; S70-L73 PolarHBondContact O-N 3.33Å
71S84.9Confident90.4Very high69 Ų6960.5 Ų60.548%0.48332%0.321SS..G310 helixtrans-65.7-25175.179.20000112.4D69 L73D69-S71 PolarHBondContact O-N 2.94Å; D69-S71 VanDerWaalsContact O-N 3.09Å; D69-S71 WeakPolarHBondContact OD1-CB 3.35Å; D69-S71 PolarHBondContact OD1-N 3Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 VanDerWaalsContact OD1-OG 3.08Å; D69-S71 PolarHBondContact OD2-OG 3.28Å; S71-L73 VanDerWaalsContact C-N 3.35Å
72L86.8Confident90.3Very high140 Ų14058 Ų5873%0.73331%0.309SS*.G310 helixtrans-86-9.1178-55.1178.7000112.7D69 S70D69-L72 HydrophobicContact CB-CD1 4.12Å; D69-L72 HydrophobicContact CB-CG 4.16Å; D69-L72 WeakPolarHBondContact O-CB 3.29Å; D69-L72 PolarHBondContact O-N 2.86Å; S70-L72 PolarHBondContact O-N 2.96Å
73L84.2Confident90.2Very high28 Ų2861.6 Ų61.615%0.14733%0.325CS..SBendtrans-96.390176.7-54.7177.9000108.2V68 S70 S71 V76 L79 T90 F92V68-L73 HydrophobicContact CG1-CD1 3.73Å; V68-L73 HydrophobicContact CG1-CD2 4Å; V68-L73 HydrophobicContact CG1-CG 3.94Å; S70-L73 PolarHBondContact O-N 3.33Å; S71-L73 VanDerWaalsContact C-N 3.35Å; L73-V76 HydrophobicContact CB-CG2 3.58Å; L73-V76 WeakPolarHBondContact O-CG2 3.34Å; L73-L79 HydrophobicContact CD1-CD1 3.74Å; L73-T90 HydrophobicContact CD1-CG2 4.21Å; L73-F92 HydrophobicContact CD1-CD1 3.89Å; L73-F92 HydrophobicContact CD1-CD2 4.47Å; L73-F92 HydrophobicContact CD1-CE1 4.05Å; L73-F92 HydrophobicContact CD1-CG 4.11Å; L73-F92 HydrophobicContact CD1-CZ 4.4Å; L73-F92 HydrophobicContact CD2-CE1 4.09Å; L73-F92 HydrophobicContact CD2-CE2 4.23Å; L73-F92 HydrophobicContact CD2-CZ 3.81Å
74M81.2Confident90Very high163 Ų16359.3 Ų59.380%0.80331%0.314SS*.  trans-137.3137.4174.8-67.2-171.567.600111.5
75P86.4Confident89.6Confident77 Ų7762.6 Ų62.650%0.533%0.329SS..SBendcis-86.2138.9-3.534.3-33.7000112.8I95P75-I95 HydrophobicContact CB-CB 4.31Å; P75-I95 HydrophobicContact CB-CD1 3.66Å; P75-I95 HydrophobicContact CB-CG1 3.88Å; P75-I95 HydrophobicContact CG-CB 4.23Å; P75-I95 HydrophobicContact CG-CD1 4.43Å; P75-I95 HydrophobicContact CG-CG1 4.34Å; P75-I95 PolarHBondContact O-N 3.12Å
76V92.4Very high89.4Confident40 Ų4068.9 Ų68.924%0.24235%0.347CS..EExtended strand (participates in β ladder)trans-122127.7179.1172.10000110.4L73 Y78 L79 F92L73-V76 HydrophobicContact CB-CG2 3.58Å; L73-V76 WeakPolarHBondContact O-CG2 3.34Å; V76-Y78 VanDerWaalsContact CG1-O 3.25Å; V76-Y78 WeakPolarHBondContact CG1-O 3.27Å; V76-L79 HydrophobicContact CG1-CB 3.92Å; V76-F92 HydrophobicContact CG1-CB 4.08Å; V76-F92 HydrophobicContact CG2-CD2 3.87Å
77Q94.5Very high89.5Confident80 Ų8063.4 Ų63.437%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-84-47.5175.8-171.4179.74.500111.2K93 I95Q77-K93 PolarHBondContact N-O 3.07Å; Q77-I95 HydrophobicContact CB-CG1 4.15Å
78Y97.2Very high89.8Confident68 Ų6860 Ų6027%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-135.2140.7-179-59.5-59.3000110.4M18 M22 W60 V76 F92 K93M18-Y78 HydrophobicContact CB-CD1 3.96Å; M18-Y78 HydrophobicContact CB-CG 4.39Å; M22-Y78 HydrophobicContact CE-CD2 4.21Å; M22-Y78 HydrophobicContact CE-CE1 4.37Å; M22-Y78 HydrophobicContact CE-CE2 3.93Å; M22-Y78 HydrophobicContact SD-CD1 4.19Å; M22-Y78 HydrophobicContact SD-CD2 3.86Å; M22-Y78 HydrophobicContact SD-CE2 4.2Å; M22-Y78 HydrophobicContact SD-CG 3.87Å; W60-Y78 HydrophobicContact CZ2-CD2 4.35Å; V76-Y78 VanDerWaalsContact CG1-O 3.25Å; V76-Y78 WeakPolarHBondContact CG1-O 3.27Å; Y78-F92 CarbonylContact O-C 3.59Å; Y78-F92 WeakPolarHBondContact O-CA 3.49Å; Y78-F92 WeakPolarHBondContact O-CB 3.35Å; Y78-K93 HydrophobicContact CD2-CB 4.2Å; Y78-K93 HydrophobicContact CD2-CD 3.88Å; Y78-K93 HydrophobicContact CE2-CD 4.35Å; Y78-K93 PolarHBondContact N-O 3.36Å; Y78-K93 PolarHBondContact O-N 2.73Å
79L96.2Very high90.1Very high6 Ų658.7 Ų58.73%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-143.3139.6179.1179.3140.6000110.3K15 V16 T17 M18 L73 V76 T90 F92K15-L79 HydrophobicContact CB-CD2 4.11Å; K15-L79 HydrophobicContact CD-CD2 4.05Å; K15-L79 HydrophobicContact CG-CD2 3.9Å; V16-L79 CarbonylContact C-O 3.44Å; V16-L79 VanDerWaalsContact CA-O 3.27Å; V16-L79 WeakPolarHBondContact CA-O 3.29Å; T17-L79 PolarHBondContact N-O 2.88Å; T17-L79 PolarHBondContact OG1-N 3.37Å; M18-L79 WeakPolarHBondContact CE-O 3.48Å; L73-L79 HydrophobicContact CD1-CD1 3.74Å; V76-L79 HydrophobicContact CG1-CB 3.92Å; L79-T90 HydrophobicContact CD1-CG2 4.46Å; L79-F92 HydrophobicContact CB-CB 4.25Å; L79-F92 HydrophobicContact CD1-CB 4.27Å; L79-F92 HydrophobicContact CG-CB 4.35Å
80I96.5Very high90.4Very high0 Ų054.6 Ų54.60%028%0.282CS..EExtended strand (participates in β ladder)trans-136.7123.6163.1-167.8179.2000109.5I13 K15 V16 M18 Q23 V26 I27 F82 T90 V91I13-I80 HydrophobicContact CD1-CD1 4.4Å; I13-I80 HydrophobicContact CG2-CG1 4.38Å; K15-I80 WeakPolarHBondContact O-CA 3.46Å; V16-I80 HydrophobicContact CB-CG1 4.26Å; V16-I80 HydrophobicContact CG2-CB 4.23Å; V16-I80 HydrophobicContact CG2-CD1 4.32Å; V16-I80 HydrophobicContact CG2-CG1 4Å; M18-I80 HydrophobicContact CE-CB 3.73Å; M18-I80 HydrophobicContact CE-CG2 3.8Å; M18-I80 HydrophobicContact SD-CB 4.19Å; M18-I80 HydrophobicContact SD-CG2 4.23Å; Q23-I80 HydrophobicContact CB-CD1 4.24Å; Q23-I80 HydrophobicContact CG-CD1 4.13Å; V26-I80 HydrophobicContact CB-CG2 4.37Å; V26-I80 HydrophobicContact CG1-CG2 3.58Å; I27-I80 HydrophobicContact CD1-CD1 3.76Å; I27-I80 HydrophobicContact CG1-CD1 3.79Å; I80-F82 HydrophobicContact CD1-CD1 4.21Å; I80-F82 HydrophobicContact CG1-CD1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 4.43Å; I80-F82 HydrophobicContact CG2-CE1 4.35Å; I80-T90 WeakPolarHBondContact O-CA 3.25Å; I80-V91 HydrophobicContact CG2-CB 3.93Å; I80-V91 PolarHBondContact N-O 3.45Å; I80-V91 PolarHBondContact O-N 3.4Å
81S95.2Very high91.1Very high7 Ų753.4 Ų53.45%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-116.3127.5172.3-62.60000108.6K14 K15 V89 T90K14-S81 WeakPolarHBondContact CA-O 3.36Å; K14-S81 WeakPolarHBondContact CB-O 3.12Å; K14-S81 PolarHBondContact N-O 3.45Å; K15-S81 PolarHBondContact N-O 3.16Å; K15-S81 VanDerWaalsContact N-O 3.09Å; K15-S81 PolarHBondContact O-N 2.99Å; S81-V89 CarbonylContact C-O 3.5Å; S81-V89 WeakPolarHBondContact CA-O 3.12Å; S81-T90 WeakPolarHBondContact OG-CG2 3.31Å; S81-T90 PolarHBondContact OG-OG1 3.08Å
82F94.5Very high91.7Very high1 Ų150.9 Ų50.90%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-147.3154.8-178.261.1-88.1000111.3I11 Q12 I13 I27 V30 I80 C84 V89I11-F82 HydrophobicContact CG2-CB 4.22Å; I11-F82 HydrophobicContact CG2-CD2 3.69Å; I11-F82 HydrophobicContact CG2-CE2 4.3Å; I11-F82 HydrophobicContact CG2-CG 4.15Å; Q12-F82 CarbonylContact O-C 3.52Å; Q12-F82 VanDerWaalsContact O-CA 3.24Å; Q12-F82 WeakPolarHBondContact O-CA 3.46Å; Q12-F82 WeakPolarHBondContact O-CB 3.1Å; I13-F82 HydrophobicContact CG1-CB 4.35Å; I27-F82 HydrophobicContact CG1-CE1 4.25Å; I27-F82 HydrophobicContact CG1-CZ 4.45Å; V30-F82 HydrophobicContact CB-CZ 4.1Å; V30-F82 HydrophobicContact CG1-CE2 4.47Å; V30-F82 HydrophobicContact CG1-CZ 3.95Å; V30-F82 HydrophobicContact CG2-CZ 4.12Å; I80-F82 HydrophobicContact CD1-CD1 4.21Å; I80-F82 HydrophobicContact CG1-CD1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 4.43Å; I80-F82 HydrophobicContact CG2-CE1 4.35Å; F82-C84 HydrophobicContact CD2-CB 4.12Å; F82-C84 HydrophobicContact CE2-CB 3.95Å; F82-V89 HydrophobicContact CD1-CB 4.39Å; F82-V89 HydrophobicContact CD1-CG1 4.42Å; F82-V89 HydrophobicContact CD2-CB 4.11Å; F82-V89 HydrophobicContact CE1-CB 4.08Å; F82-V89 HydrophobicContact CE1-CG1 3.71Å; F82-V89 HydrophobicContact CE2-CB 3.8Å; F82-V89 HydrophobicContact CE2-CG1 4.05Å; F82-V89 HydrophobicContact CE2-CG2 4.09Å; F82-V89 HydrophobicContact CG-CB 4.43Å; F82-V89 HydrophobicContact CZ-CB 3.8Å; F82-V89 HydrophobicContact CZ-CG1 3.52Å; F82-V89 HydrophobicContact CZ-CG2 4.38Å; F82-V89 PolarHBondContact N-O 2.99Å; F82-V89 PolarHBondContact O-N 2.88Å; F82-V89 VanDerWaalsContact O-O 3.1Å
83K93.1Very high92.2Very high83 Ų8344.6 Ų44.636%0.36122%0.221SC..EExtended strand (participates in β ladder)trans-91.5127.7168.5-169.6172.7-178.81770108.6I11 Q12 E85 N87I11-K83 WeakPolarHBondContact CA-O 3.45Å; Q12-K83 HydrophobicContact CB-CB 4.44Å; Q12-K83 PolarHBondContact N-O 2.93Å; Q12-K83 PolarHBondContact O-N 3.06Å; K83-E85 WeakPolarHBondContact CE-O 3.48Å; K83-N87 WeakPolarHBondContact CA-O 3.37Å
84C89.7Confident92.7Very high3 Ų345 Ų452%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-117.3111172.5-171.60000107.7F82 E86 N87 V89F82-C84 HydrophobicContact CD2-CB 4.12Å; F82-C84 HydrophobicContact CE2-CB 3.95Å; C84-E86 PolarHBondContact O-N 3.31Å; C84-E86 VanDerWaalsContact O-N 3.07Å; C84-N87 PolarHBondContact N-O 3.26Å; C84-N87 PolarHBondContact O-N 2.93Å; C84-V89 HydrophobicContact CB-CG2 4.23Å
85E84.1Confident93.1Very high91 Ų9144.4 Ų44.443%0.42522%0.223SC..THydrogen-bonded Turntrans53.6-110.9-169.4-61.3169.3164.400111.1K9 S10 K83K9-E85 WeakPolarHBondContact CG-OE1 3.26Å; K9-E85 IonicContact NZ-OE1 2.58Å; K9-E85 PolarHBondContact NZ-OE1 2.89Å; K9-E85 IonicContact NZ-OE2 2.75Å; K9-E85 PolarHBondContact NZ-OE2 2.97Å; S10-E85 PolarHBondContact O-N 3.04Å; S10-E85 VanDerWaalsContact O-N 3.12Å; K83-E85 WeakPolarHBondContact CE-O 3.48Å
86E84.8Confident93.5Very high171 Ų17142.8 Ų42.880%0.79921%0.209SC*.THydrogen-bonded Turntrans-97.7-14.4178.8-61.1-171.3165.500113.1C84C84-E86 PolarHBondContact O-N 3.31Å; C84-E86 VanDerWaalsContact O-N 3.07Å
87N89.3Confident93.5Very high58 Ų5842.9 Ų42.931%0.3121%0.207SC..EExtended strand (participates in β ladder)trans-92.1133.4-173.1-69.9-52000112.1I64 K83 C84I64-N87 HydrophobicContact CD1-CB 3.91Å; I64-N87 HydrophobicContact CG1-CB 3.89Å; K83-N87 WeakPolarHBondContact CA-O 3.37Å; C84-N87 PolarHBondContact N-O 3.26Å; C84-N87 PolarHBondContact O-N 2.93Å
88N93.9Very high93.5Very high34 Ų3440.8 Ų40.818%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-77.8130.6164.8-68.1-51.9000109K14 I64 G65 Y66K14-N88 PolarHBondContact NZ-OD1 3.12Å; I64-N88 CarbonylContact C-O 3.49Å; I64-N88 VanDerWaalsContact CA-O 3.29Å; I64-N88 WeakPolarHBondContact CA-O 3.35Å; G65-N88 PolarHBondContact N-O 2.85Å; Y66-N88 WeakPolarHBondContact O-CB 3.32Å
89V95.3Very high93.2Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-121.3131.6177178.40000108.4V30 Y62 I63 I64 S81 F82 C84 V91V30-V89 HydrophobicContact CG1-CG1 4.2Å; Y62-V89 HydrophobicContact CD2-CG1 4.22Å; Y62-V89 HydrophobicContact CE2-CG1 3.62Å; I63-V89 WeakPolarHBondContact O-CA 3.24Å; I64-V89 HydrophobicContact CB-CG2 4.48Å; I64-V89 HydrophobicContact CD1-CG2 4.02Å; I64-V89 HydrophobicContact CG1-CG2 4.01Å; S81-V89 CarbonylContact C-O 3.5Å; S81-V89 WeakPolarHBondContact CA-O 3.12Å; F82-V89 HydrophobicContact CD1-CB 4.39Å; F82-V89 HydrophobicContact CD1-CG1 4.42Å; F82-V89 HydrophobicContact CD2-CB 4.11Å; F82-V89 HydrophobicContact CE1-CB 4.08Å; F82-V89 HydrophobicContact CE1-CG1 3.71Å; F82-V89 HydrophobicContact CE2-CB 3.8Å; F82-V89 HydrophobicContact CE2-CG1 4.05Å; F82-V89 HydrophobicContact CE2-CG2 4.09Å; F82-V89 HydrophobicContact CG-CB 4.43Å; F82-V89 HydrophobicContact CZ-CB 3.8Å; F82-V89 HydrophobicContact CZ-CG1 3.52Å; F82-V89 HydrophobicContact CZ-CG2 4.38Å; F82-V89 PolarHBondContact N-O 2.99Å; F82-V89 PolarHBondContact O-N 2.88Å; F82-V89 VanDerWaalsContact O-O 3.1Å; C84-V89 HydrophobicContact CB-CG2 4.23Å; V89-V91 HydrophobicContact CG1-CG2 4.16Å
90T96Very high93.1Very high2 Ų241.3 Ų41.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-127.1124.2170.3-64.70000109.1I63 V68 L73 L79 I80 S81 F92I63-T90 PolarHBondContact N-O 2.92Å; I63-T90 PolarHBondContact O-N 3.19Å; V68-T90 HydrophobicContact CB-CG2 4.26Å; L73-T90 HydrophobicContact CD1-CG2 4.21Å; L79-T90 HydrophobicContact CD1-CG2 4.46Å; I80-T90 WeakPolarHBondContact O-CA 3.25Å; S81-T90 WeakPolarHBondContact OG-CG2 3.31Å; S81-T90 PolarHBondContact OG-OG1 3.08Å; T90-F92 HydrophobicContact CG2-CD1 4.12Å
91V97.5Very high92.8Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-120.1132.1173.5-178.50000107.5V26 V30 L52 W60 H61 Y62 I80 V89V26-V91 HydrophobicContact CG1-CB 3.78Å; V26-V91 HydrophobicContact CG1-CG1 3.66Å; V26-V91 HydrophobicContact CG1-CG2 3.89Å; V30-V91 HydrophobicContact CG2-CG2 3.72Å; L52-V91 HydrophobicContact CD1-CG1 3.64Å; W60-V91 HydrophobicContact CE3-CG1 3.73Å; W60-V91 HydrophobicContact CZ3-CG1 3.94Å; H61-V91 WeakPolarHBondContact O-CA 3.28Å; Y62-V91 HydrophobicContact CD2-CG2 3.83Å; I80-V91 HydrophobicContact CG2-CB 3.93Å; I80-V91 PolarHBondContact N-O 3.45Å; I80-V91 PolarHBondContact O-N 3.4Å; V89-V91 HydrophobicContact CG1-CG2 4.16Å
92F97Very high92.7Very high16 Ų1646.7 Ų46.77%0.0723%0.229CC..EExtended strand (participates in β ladder)trans-147.7153.2179.564.1-80.8000112W60 H61 I63 L73 V76 Y78 L79 T90 T94W60-F92 CarbonylContact C-O 3.48Å; W60-F92 WeakPolarHBondContact CA-O 3.46Å; H61-F92 HydrophobicContact CB-CD1 4.02Å; H61-F92 HydrophobicContact CB-CD2 4.24Å; H61-F92 HydrophobicContact CB-CE1 3.54Å; H61-F92 HydrophobicContact CB-CE2 3.81Å; H61-F92 HydrophobicContact CB-CG 4.35Å; H61-F92 HydrophobicContact CB-CZ 3.43Å; H61-F92 VanDerWaalsContact CB-CZ 3.43Å; H61-F92 AromaticContact CD2-CD2 3.98Å; H61-F92 AromaticContact CD2-CE2 3.43Å; H61-F92 VanDerWaalsContact CD2-CE2 3.43Å; H61-F92 WeakPolarHBondContact CD2-CE2 3.46Å; H61-F92 AromaticContact CD2-CZ 3.87Å; H61-F92 AromaticContact CG-CE2 3.87Å; H61-F92 AromaticContact CG-CZ 3.83Å; H61-F92 PolarHBondContact N-O 2.95Å; H61-F92 PolarHBondContact O-N 3.26Å; I63-F92 HydrophobicContact CD1-CE1 3.83Å; I63-F92 HydrophobicContact CD1-CZ 4.49Å; I63-F92 HydrophobicContact CG1-CE1 4.3Å; L73-F92 HydrophobicContact CD1-CD1 3.89Å; L73-F92 HydrophobicContact CD1-CD2 4.47Å; L73-F92 HydrophobicContact CD1-CE1 4.05Å; L73-F92 HydrophobicContact CD1-CG 4.11Å; L73-F92 HydrophobicContact CD1-CZ 4.4Å; L73-F92 HydrophobicContact CD2-CE1 4.09Å; L73-F92 HydrophobicContact CD2-CE2 4.23Å; L73-F92 HydrophobicContact CD2-CZ 3.81Å; V76-F92 HydrophobicContact CG1-CB 4.08Å; V76-F92 HydrophobicContact CG2-CD2 3.87Å; Y78-F92 CarbonylContact O-C 3.59Å; Y78-F92 WeakPolarHBondContact O-CA 3.49Å; Y78-F92 WeakPolarHBondContact O-CB 3.35Å; L79-F92 HydrophobicContact CB-CB 4.25Å; L79-F92 HydrophobicContact CD1-CB 4.27Å; L79-F92 HydrophobicContact CG-CB 4.35Å; T90-F92 HydrophobicContact CG2-CD1 4.12Å; F92-T94 HydrophobicContact CD2-CG2 4.23Å; F92-T94 HydrophobicContact CE2-CG2 3.96Å
93K97.2Very high92.5Very high9 Ų950.2 Ų50.24%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-107.1124.7171.7-165.1-165.7169.5-70.10108.7L57 P58 T59 W60 Q77 Y78L57-K93 WeakPolarHBondContact O-CE 3.4Å; P58-K93 WeakPolarHBondContact O-CE 3.38Å; P58-K93 PolarHBondContact O-NZ 2.75Å; T59-K93 WeakPolarHBondContact O-CA 3.5Å; W60-K93 HydrophobicContact CD2-CB 3.77Å; W60-K93 HydrophobicContact CD2-CG 4.05Å; W60-K93 HydrophobicContact CE3-CB 3.99Å; W60-K93 HydrophobicContact CG-CB 4.33Å; W60-K93 HydrophobicContact CG-CG 4.2Å; W60-K93 HydrophobicContact CH2-CB 4.14Å; W60-K93 HydrophobicContact CZ2-CB 3.9Å; W60-K93 HydrophobicContact CZ2-CD 4.11Å; W60-K93 HydrophobicContact CZ2-CG 4.25Å; W60-K93 HydrophobicContact CZ3-CB 4.18Å; Q77-K93 PolarHBondContact N-O 3.07Å; Y78-K93 HydrophobicContact CD2-CB 4.2Å; Y78-K93 HydrophobicContact CD2-CD 3.88Å; Y78-K93 HydrophobicContact CE2-CD 4.35Å; Y78-K93 PolarHBondContact N-O 3.36Å; Y78-K93 PolarHBondContact O-N 2.73Å
94T94.3Very high92.5Very high35 Ų3547.5 Ų47.522%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-74.1155.6168.544.60000110.3T59 H61 F92T59-T94 PolarHBondContact O-N 3.05Å; T59-T94 PolarHBondContact O-OG1 2.77Å; T59-T94 VanDerWaalsContact O-OG1 3.08Å; H61-T94 PolarHBondContact NE2-OG1 2.97Å; F92-T94 HydrophobicContact CD2-CG2 4.23Å; F92-T94 HydrophobicContact CE2-CG2 3.96Å
95I90.4Very high92.7Very high151 Ų15151.5 Ų51.577%0.77426%0.257SS*.  trans-62.20173.8-60.9-171.7000109.2P75 Q77P75-I95 HydrophobicContact CB-CB 4.31Å; P75-I95 HydrophobicContact CB-CD1 3.66Å; P75-I95 HydrophobicContact CB-CG1 3.88Å; P75-I95 HydrophobicContact CG-CB 4.23Å; P75-I95 HydrophobicContact CG-CD1 4.43Å; P75-I95 HydrophobicContact CG-CG1 4.34Å; P75-I95 PolarHBondContact O-N 3.12Å; Q77-I95 HydrophobicContact CB-CG1 4.15Å

Retrieved 95 of 95 residues in 210.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).