A0A087XWR1_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3B3TVB1), UniProt , Accession A0A087XWR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M39.9Very low75.6Confident245 Ų24593.9 Ų93.9100%1.20751%0.507SS*.  0126.30-72.9174.6176.200106.1D3M1-D3 PolarHBondContact O-N 3.35Å
2T43Very low77.2Confident143 Ų14386.3 Ų86.388%0.87747%0.466SS*.  trans-56126.8-156.537.50000115.2G4T2-G4 VanDerWaalsContact C-N 3.26Å; T2-G4 PolarHBondContact O-N 2.97Å; T2-G4 VanDerWaalsContact O-N 3.09Å
3D55.7Low78.5Confident144 Ų14479.7 Ų79.777%0.7743%0.43SS*.SBendtrans-78.542.8-175.1-163.515.5000113.6M1M1-D3 PolarHBondContact O-N 3.35Å
4G57.9Low79.7Confident61 Ų6174.1 Ų74.163%0.62940%0.4SS*.  trans-161.555.2-163.500000117.9T2T2-G4 VanDerWaalsContact C-N 3.26Å; T2-G4 PolarHBondContact O-N 2.97Å; T2-G4 VanDerWaalsContact O-N 3.09Å
5D82.2Confident80.5Confident89 Ų8969.1 Ų69.148%0.47637%0.373SS..SBendtrans-133.840.9167.1-157.426000112.7K68D5-K68 WeakPolarHBondContact O-CD 3.25Å; D5-K68 IonicContact OD1-NZ 2.63Å; D5-K68 PolarHBondContact OD1-NZ 2.85Å; D5-K68 IonicContact OD2-NZ 3.35Å; D5-K68 PolarHBondContact OD2-NZ 2.95Å; D5-K68 VanDerWaalsContact OD2-NZ 3.17Å
6Y88Confident81.3Confident67 Ų6764.8 Ų64.826%0.26335%0.35SS..  trans-143.9146.5170.260.7-94000110.2Y8 L9 K68 H70Y6-Y8 WeakPolarHBondContact CD2-O 3.2Å; Y6-L9 HydrophobicContact CD2-CB 4.43Å; Y6-L9 HydrophobicContact CE2-CB 3.72Å; Y6-K68 CarbonylContact C-O 3.59Å; Y6-H70 HydrophobicContact CD1-CB 3.8Å; Y6-H70 AromaticContact CD1-ND1 3.7Å; Y6-H70 HydrophobicContact CD2-CB 3.83Å; Y6-H70 HydrophobicContact CE1-CB 4.24Å; Y6-H70 AromaticContact CE1-ND1 3.52Å; Y6-H70 HydrophobicContact CE2-CB 4.27Å; Y6-H70 HydrophobicContact CG-CB 3.58Å
7D91.1Very high81.9Confident94 Ų9462.5 Ų62.550%0.50334%0.337SS..SBendtrans-83.6-34.7179.3-57.6-64.6000111.4F67 K68D7-F67 HydrophobicContact CB-CB 4.28Å; D7-F67 HydrophobicContact CB-CD1 4.19Å; D7-F67 WeakPolarHBondContact OD2-CA 3.38Å; D7-K68 PolarHBondContact N-O 3.03Å; D7-K68 PolarHBondContact OD2-N 3.17Å
8Y92.4Very high82.4Confident70 Ų7061.9 Ų61.928%0.27534%0.339SS..EExtended strand (participates in β ladder)trans-134.3137.5-179.4-63.5-76.9000112.2Y6 F67 K68 V69 H70 M183 M186Y6-Y8 WeakPolarHBondContact CD2-O 3.2Å; Y8-F67 HydrophobicContact CD2-CB 3.97Å; Y8-F67 HydrophobicContact CD2-CD1 4.24Å; Y8-F67 HydrophobicContact CD2-CG 4.14Å; Y8-F67 HydrophobicContact CE2-CB 4.02Å; Y8-F67 AromaticContact CE2-CD1 3.5Å; Y8-F67 HydrophobicContact CE2-CD1 3.5Å; Y8-F67 VanDerWaalsContact CE2-CD1 3.5Å; Y8-F67 HydrophobicContact CE2-CD2 4.23Å; Y8-F67 AromaticContact CE2-CE1 3.88Å; Y8-F67 HydrophobicContact CE2-CE1 3.88Å; Y8-F67 AromaticContact CE2-CG 3.67Å; Y8-F67 HydrophobicContact CE2-CG 3.67Å; Y8-F67 HydrophobicContact CE2-CZ 4.37Å; Y8-K68 PolarHBondContact N-O 2.77Å; Y8-V69 CarbonylContact O-C 3.54Å; Y8-V69 WeakPolarHBondContact O-CA 3.17Å; Y8-H70 PolarHBondContact O-N 3.31Å; Y8-M183 HydrophobicContact CD2-CE 3.53Å; Y8-M183 HydrophobicContact CD2-SD 4.36Å; Y8-M183 HydrophobicContact CE2-CE 3.66Å; Y8-M183 HydrophobicContact CG-CE 4.14Å; Y8-M183 HydrophobicContact CG-SD 4.42Å; Y8-M186 HydrophobicContact CD1-CE 4.01Å; Y8-M186 HydrophobicContact CE1-CE 4.3Å
9L93.5Very high82.9Confident62 Ų6260.1 Ų60.133%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-100.4119.5164.4177.664.4000108.3Y6 H70 Q72Y6-L9 HydrophobicContact CD2-CB 4.43Å; Y6-L9 HydrophobicContact CE2-CB 3.72Å; L9-H70 WeakPolarHBondContact CA-O 3.49Å; L9-H70 HydrophobicContact CD1-CB 4.11Å; L9-H70 WeakPolarHBondContact CD1-O 3.34Å; L9-Q72 HydrophobicContact CD1-CG 3.9Å
10I94.3Very high83.5Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-119.3124-178.2-59.4-63.7000109.7L12 V69 H70 L71 Q72 M94 L179 V182 M183 M186I10-L12 HydrophobicContact CG2-CD2 3.75Å; I10-L12 HydrophobicContact CG2-CG 4.06Å; I10-V69 HydrophobicContact CB-CG1 4.07Å; I10-V69 HydrophobicContact CG1-CG1 3.62Å; I10-H70 PolarHBondContact N-O 3.07Å; I10-L71 HydrophobicContact CB-CD2 3.97Å; I10-L71 HydrophobicContact CG2-CD2 4.13Å; I10-L71 WeakPolarHBondContact O-CA 3.36Å; I10-Q72 PolarHBondContact O-N 2.64Å; I10-M94 HydrophobicContact CB-SD 4.48Å; I10-M94 HydrophobicContact CD1-CE 3.61Å; I10-M94 HydrophobicContact CD1-SD 3.85Å; I10-M94 HydrophobicContact CG2-SD 4.34Å; I10-L179 HydrophobicContact CB-CD1 4.42Å; I10-L179 HydrophobicContact CG1-CD1 4.09Å; I10-L179 HydrophobicContact CG2-CD1 4.17Å; I10-V182 HydrophobicContact CD1-CG1 4.06Å; I10-V182 HydrophobicContact CG2-CG1 4.12Å; I10-M183 HydrophobicContact CD1-SD 4.13Å; I10-M183 HydrophobicContact CG1-SD 4.33Å; I10-M186 HydrophobicContact CD1-CE 4.36Å; I10-M186 HydrophobicContact CD1-SD 3.46Å; I10-M186 WeakPolarHBondContact CD1-SD 3.41Å
11K93.8Very high84Confident58 Ų5855 Ų5525%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-101.2114.8179.4-63.1179-179.5179.50110.1Q72 D92 M94K11-Q72 CarbonylContact C-O 3.6Å; K11-Q72 WeakPolarHBondContact CA-O 3.48Å; K11-Q72 HydrophobicContact CG-CB 4.18Å; K11-D92 WeakPolarHBondContact CD-O 3.08Å; K11-M94 WeakPolarHBondContact O-CB 3.31Å; K11-M94 PolarHBondContact O-N 3.27Å
12L95.1Very high86.7Confident2 Ų243.8 Ų43.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-114143.4175.7-52.3178.8000109.7I10 L71 Q72 L73 W74 G95 V175 L178 V182I10-L12 HydrophobicContact CG2-CD2 3.75Å; I10-L12 HydrophobicContact CG2-CG 4.06Å; L12-L71 HydrophobicContact CD1-CD2 4.21Å; L12-Q72 PolarHBondContact N-O 2.93Å; L12-L73 HydrophobicContact CB-CD2 4.06Å; L12-L73 HydrophobicContact CD1-CD2 4.02Å; L12-L73 HydrophobicContact CG-CD2 4.43Å; L12-L73 WeakPolarHBondContact O-CA 3.45Å; L12-W74 PolarHBondContact O-N 2.86Å; L12-G95 WeakPolarHBondContact CA-O 3.42Å; L12-V175 HydrophobicContact CD1-CG1 4.17Å; L12-L178 HydrophobicContact CB-CD2 4.37Å; L12-L178 HydrophobicContact CD1-CD2 4.11Å; L12-L178 HydrophobicContact CD1-CG 4.39Å; L12-L178 HydrophobicContact CD2-CD2 3.95Å; L12-L178 HydrophobicContact CD2-CG 4.01Å; L12-L178 HydrophobicContact CG-CD2 4.37Å; L12-V182 HydrophobicContact CD2-CG2 4.23Å
13L93.9Very high89.1Confident1 Ų138.8 Ų38.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-121.8127.7-176.7-172.971.9000110.8L15 W74 T76 F90 A93 G95 F96 L97L13-L15 HydrophobicContact CD2-CD1 4.12Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CD2-CG 4.05Å; L13-L15 HydrophobicContact CG-CD2 3.96Å; L13-L15 HydrophobicContact CG-CG 4.1Å; L13-W74 HydrophobicContact CB-CB 4.43Å; L13-W74 HydrophobicContact CD1-CB 3.22Å; L13-W74 HydrophobicContact CD1-CG 4.23Å; L13-W74 HydrophobicContact CG-CB 4.4Å; L13-T76 HydrophobicContact CD1-CG2 3.38Å; L13-T76 HydrophobicContact CD2-CG2 4.28Å; L13-T76 HydrophobicContact CG-CG2 3.93Å; L13-F90 HydrophobicContact CD2-CD1 3.49Å; L13-F90 VanDerWaalsContact CD2-CD1 3.49Å; L13-F90 HydrophobicContact CD2-CE1 3.72Å; L13-A93 HydrophobicContact CB-CB 3.75Å; L13-A93 HydrophobicContact CD2-CB 4.27Å; L13-G95 PolarHBondContact N-O 2.88Å; L13-F96 HydrophobicContact CB-CD1 3.86Å; L13-F96 HydrophobicContact CB-CE1 4.14Å; L13-F96 HydrophobicContact CD2-CD1 3.91Å; L13-F96 HydrophobicContact CD2-CE1 3.68Å; L13-F96 HydrophobicContact CG-CD1 4.35Å; L13-F96 CarbonylContact O-C 3.58Å; L13-F96 WeakPolarHBondContact O-CA 3.32Å; L13-L97 PolarHBondContact O-N 3.5Å
14A94.6Very high90.9Very high1 Ų133.6 Ų33.61%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-89.2128.8172.200000110.7K22 L26 W74 T76 L97 M99A14-K22 HydrophobicContact CB-CB 4.12Å; A14-K22 HydrophobicContact CB-CD 4.27Å; A14-K22 HydrophobicContact CB-CG 4.34Å; A14-L26 HydrophobicContact CB-CD1 3.99Å; A14-L26 HydrophobicContact CB-CD2 4.48Å; A14-L26 HydrophobicContact CB-CG 4.36Å; A14-W74 PolarHBondContact N-O 3.23Å; A14-T76 PolarHBondContact O-OG1 2.81Å; A14-T76 VanDerWaalsContact O-OG1 3.12Å; A14-L97 WeakPolarHBondContact CA-O 3.12Å; A14-L97 HydrophobicContact CB-CB 4.41Å; A14-M99 HydrophobicContact CB-SD 4.45Å
15L92.3Very high92.8Very high0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-131.8156.9-177-63.8176.9000111.8L13 T76 T86 F90 F96 L97 L98 M99 L118L13-L15 HydrophobicContact CD2-CD1 4.12Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CD2-CG 4.05Å; L13-L15 HydrophobicContact CG-CD2 3.96Å; L13-L15 HydrophobicContact CG-CG 4.1Å; L15-T76 HydrophobicContact CD2-CG2 3.71Å; L15-T86 HydrophobicContact CD2-CG2 3.94Å; L15-F90 HydrophobicContact CD1-CD1 4.43Å; L15-F90 HydrophobicContact CD1-CE1 3.69Å; L15-F90 HydrophobicContact CD1-CZ 3.77Å; L15-F90 HydrophobicContact CD2-CE1 3.5Å; L15-F90 HydrophobicContact CD2-CZ 3.94Å; L15-F90 HydrophobicContact CG-CE1 4.25Å; L15-F96 HydrophobicContact CD1-CD1 3.61Å; L15-F96 HydrophobicContact CD1-CE1 4.22Å; L15-F96 HydrophobicContact CD1-CG 4.45Å; L15-F96 HydrophobicContact CG-CD1 4.42Å; L15-L97 PolarHBondContact N-O 2.93Å; L15-L98 HydrophobicContact CB-CD1 4.34Å; L15-M99 WeakPolarHBondContact O-CB 3.08Å; L15-M99 PolarHBondContact O-N 2.86Å; L15-L118 HydrophobicContact CD1-CD1 3.88Å; L15-L118 HydrophobicContact CD1-CD2 3.51Å; L15-L118 HydrophobicContact CD1-CG 3.82Å
16G93.4Very high93.4Very high0 Ų026.5 Ų26.50%015%0.145CC..  trans139.1173.6-176.400000112K22 G78 M99G16-K22 PolarHBondContact O-NZ 3.03Å; G16-G78 WeakPolarHBondContact O-CA 3.22Å; G16-M99 WeakPolarHBondContact CA-O 3.38Å
17D92.1Very high93.7Very high25 Ų2527.7 Ų27.713%0.13415%0.15CC..  trans-61.7163.4-176.3-752.9000113V20 K22 N110 W114D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; D17-K22 PolarHBondContact O-NZ 2.56Å; D17-N110 WeakPolarHBondContact OD2-CB 3.44Å; D17-N110 PolarHBondContact OD2-ND2 3.07Å; D17-W114 PolarHBondContact OD1-NE1 3.42Å
18S90.4Very high93.9Very high53 Ų5324.7 Ų24.737%0.37113%0.131SC..THydrogen-bonded Turntrans-61.8138.1171.2-171.90000110V20 G78S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 2.94Å; S18-G78 PolarHBondContact N-O 3.24Å
19G91.4Very high94.1Very high26 Ų2621.7 Ų21.727%0.26812%0.12SC..THydrogen-bonded Turntrans84-6.1175.800000116.5G21 K135G19-G21 PolarHBondContact O-N 3.26Å; G19-K135 WeakPolarHBondContact O-CE 3.3Å; G19-K135 PolarHBondContact O-NZ 3.5Å
20V95.2Very high94.2Very high2 Ų219.9 Ų19.91%0.01211%0.111CC..SBendtrans-70.1-13.3177.4-530000113.6D17 S18 K22 M99 D101 N134D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 2.94Å; V20-K22 HydrophobicContact CG2-CD 4.48Å; V20-K22 HydrophobicContact CG2-CG 3.79Å; V20-M99 HydrophobicContact CG2-CB 4.04Å; V20-D101 HydrophobicContact CB-CB 4.23Å; V20-D101 HydrophobicContact CG1-CB 4.11Å; V20-N134 PolarHBondContact O-ND2 3.26Å
21G94.8Very high94.1Very high13 Ų1323.1 Ų23.113%0.13413%0.129CC..  trans99.424.2172.200000116.2G19 T24 F25G19-G21 PolarHBondContact O-N 3.26Å; G21-T24 PolarHBondContact O-N 3.29Å; G21-F25 VanDerWaalsContact O-CB 3.25Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 2.75Å
22K94.9Very high94Very high9 Ų926 Ų264%0.03915%0.147CC..Hα-helixtrans-52-55.9177-59.5-174.4-64.5-74.70113.3A14 G16 D17 V20 T24 F25 L26 D75 T76 M99A14-K22 HydrophobicContact CB-CB 4.12Å; A14-K22 HydrophobicContact CB-CD 4.27Å; A14-K22 HydrophobicContact CB-CG 4.34Å; G16-K22 PolarHBondContact O-NZ 3.03Å; D17-K22 PolarHBondContact O-NZ 2.56Å; V20-K22 HydrophobicContact CG2-CD 4.48Å; V20-K22 HydrophobicContact CG2-CG 3.79Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.38Å; K22-F25 WeakPolarHBondContact O-CB 3.45Å; K22-F25 PolarHBondContact O-N 2.99Å; K22-L26 WeakPolarHBondContact O-CG 3.46Å; K22-L26 PolarHBondContact O-N 3.35Å; K22-D75 WeakPolarHBondContact CB-OD1 3.19Å; K22-T76 WeakPolarHBondContact CE-O 3.46Å; K22-M99 HydrophobicContact CB-SD 4.17Å; K22-M99 HydrophobicContact CG-CB 4.36Å; K22-M99 HydrophobicContact CG-CG 4.44Å; K22-M99 HydrophobicContact CG-SD 3.82Å
23T93.4Very high93.7Very high38 Ų3832.4 Ų32.423%0.23318%0.175CC..Hα-helixtrans-55.7-49.6178-41.50000111.5F25 L26 Y27 T41 D75T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 3.39Å; T23-L26 PolarHBondContact O-N 3.09Å; T23-Y27 HydrophobicContact CG2-CD2 3.99Å; T23-Y27 HydrophobicContact CG2-CE2 4Å; T23-Y27 WeakPolarHBondContact O-CB 3.12Å; T23-Y27 WeakPolarHBondContact O-CD2 3.28Å; T23-Y27 PolarHBondContact O-N 2.63Å; T23-T41 PolarHBondContact OG1-OG1 3.09Å; T23-D75 WeakPolarHBondContact CA-OD2 2.94Å; T23-D75 VanDerWaalsContact CB-OD2 3.26Å; T23-D75 WeakPolarHBondContact CB-OD2 3.4Å; T23-D75 WeakPolarHBondContact CG2-OD2 3.3Å; T23-D75 PolarHBondContact N-OD1 3.33Å; T23-D75 PolarHBondContact OG1-OD2 3.06Å
24T94.7Very high93.3Very high34 Ų3436.7 Ų36.721%0.20919%0.193CC..Hα-helixtrans-65.3-36.6-178.6-45.40000112.1G21 K22 R28 F34 A165G21-T24 PolarHBondContact O-N 3.29Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.38Å; T24-R28 WeakPolarHBondContact O-CB 3.31Å; T24-R28 PolarHBondContact O-N 3.01Å; T24-F34 HydrophobicContact CG2-CD2 3.34Å; T24-F34 HydrophobicContact CG2-CE2 3.55Å; T24-F34 HydrophobicContact CG2-CG 4.47Å; T24-A165 HydrophobicContact CG2-CB 3.96Å
25F96.9Very high92.7Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-63.8-47.2174.8178.2-81.4000111.4G21 K22 T23 R28 Y29 L97 M99 V132 T163 A165 V171 A174 V175G21-F25 VanDerWaalsContact O-CB 3.25Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 2.75Å; K22-F25 WeakPolarHBondContact O-CB 3.45Å; K22-F25 PolarHBondContact O-N 2.99Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 3.39Å; F25-R28 WeakPolarHBondContact O-CB 3.32Å; F25-R28 PolarHBondContact O-N 3.16Å; F25-Y29 PolarHBondContact O-N 2.84Å; F25-L97 HydrophobicContact CE1-CD1 3.91Å; F25-M99 HydrophobicContact CB-CE 3.62Å; F25-M99 HydrophobicContact CB-SD 4.24Å; F25-M99 HydrophobicContact CD1-CE 4.19Å; F25-M99 HydrophobicContact CD1-SD 4.3Å; F25-M99 HydrophobicContact CD2-CE 3.57Å; F25-M99 HydrophobicContact CE2-CE 4.27Å; F25-M99 HydrophobicContact CG-CE 3.53Å; F25-M99 HydrophobicContact CG-SD 4.17Å; F25-V132 HydrophobicContact CE2-CG1 4.13Å; F25-T163 HydrophobicContact CE2-CG2 4.04Å; F25-A165 HydrophobicContact CB-CB 4.3Å; F25-V171 HydrophobicContact CD1-CG1 4.45Å; F25-V171 HydrophobicContact CD2-CB 4.47Å; F25-V171 HydrophobicContact CD2-CG1 4.1Å; F25-V171 HydrophobicContact CD2-CG2 3.91Å; F25-V171 HydrophobicContact CE1-CG1 4.13Å; F25-V171 HydrophobicContact CE2-CB 3.99Å; F25-V171 HydrophobicContact CE2-CG1 3.78Å; F25-V171 HydrophobicContact CE2-CG2 3.76Å; F25-V171 HydrophobicContact CG-CG1 4.42Å; F25-V171 HydrophobicContact CZ-CB 4.31Å; F25-V171 HydrophobicContact CZ-CG1 3.78Å; F25-A174 HydrophobicContact CZ-CB 4.22Å; F25-V175 HydrophobicContact CE1-CG2 3.68Å; F25-V175 HydrophobicContact CZ-CG2 4Å
26L95.4Very high92.1Very high2 Ų245.5 Ų45.51%0.0125%0.246CC..Hα-helixtrans-65.1-40.4177.2-64.9-178.6000111.8A14 K22 T23 Y29 T30 L73 D75 L97A14-L26 HydrophobicContact CB-CD1 3.99Å; A14-L26 HydrophobicContact CB-CD2 4.48Å; A14-L26 HydrophobicContact CB-CG 4.36Å; K22-L26 WeakPolarHBondContact O-CG 3.46Å; K22-L26 PolarHBondContact O-N 3.35Å; T23-L26 PolarHBondContact O-N 3.09Å; L26-Y29 PolarHBondContact O-N 3.45Å; L26-T30 VanDerWaalsContact O-CG2 3.31Å; L26-T30 WeakPolarHBondContact O-CG2 3.25Å; L26-T30 PolarHBondContact O-N 3.2Å; L26-T30 PolarHBondContact O-OG1 3.07Å; L26-L73 HydrophobicContact CD1-CB 4.36Å; L26-L73 HydrophobicContact CD2-CB 4.02Å; L26-L73 HydrophobicContact CD2-CD1 4.35Å; L26-L73 HydrophobicContact CD2-CD2 4.49Å; L26-D75 HydrophobicContact CD1-CB 3.79Å; L26-L97 HydrophobicContact CD2-CD1 4.17Å
27Y93.9Very high91.4Very high92 Ų9253.2 Ų53.236%0.36128%0.28SS..Hα-helixtrans-60.8-42.7172-98.9-100.1000112.6T23 Y29 T30 D31 R47T23-Y27 HydrophobicContact CG2-CD2 3.99Å; T23-Y27 HydrophobicContact CG2-CE2 4Å; T23-Y27 WeakPolarHBondContact O-CB 3.12Å; T23-Y27 WeakPolarHBondContact O-CD2 3.28Å; T23-Y27 PolarHBondContact O-N 2.63Å; Y27-Y29 VanDerWaalsContact C-N 3.32Å; Y27-Y29 PolarHBondContact O-N 3.22Å; Y27-T30 PolarHBondContact O-N 3.32Å; Y27-D31 PolarHBondContact O-N 2.9Å; Y27-R47 VanDerWaalsContact CD2-NE 3.26Å; Y27-R47 VanDerWaalsContact CE2-NH2 3.34Å; Y27-R47 PolarHBondContact OH-NH2 3.29Å
28R96Very high90.4Very high30 Ų3058.3 Ų58.311%0.11330%0.301CS..Hα-helixtrans-60.5-45.2175.7170.356.470.3-171.45.4110.2T24 F25 N32 K33 F34 A165 A166 V171T24-R28 WeakPolarHBondContact O-CB 3.31Å; T24-R28 PolarHBondContact O-N 3.01Å; F25-R28 WeakPolarHBondContact O-CB 3.32Å; F25-R28 PolarHBondContact O-N 3.16Å; R28-N32 PolarHBondContact NH1-O 3.32Å; R28-N32 PolarHBondContact NH1-OD1 2.78Å; R28-N32 WeakPolarHBondContact O-CA 3.27Å; R28-N32 PolarHBondContact O-N 3.1Å; R28-K33 WeakPolarHBondContact CA-O 3.46Å; R28-F34 VanDerWaalsContact NH2-CB 3.26Å; R28-A165 HydrophobicContact CB-CB 4.43Å; R28-A165 PolarHBondContact NE-O 3.29Å; R28-A166 PolarHBondContact NH2-O 2.89Å; R28-V171 HydrophobicContact CG-CB 4.29Å; R28-V171 HydrophobicContact CG-CG1 4.05Å; R28-V171 HydrophobicContact CG-CG2 4.02Å
29Y96.8Very high89.7Confident7 Ų761.8 Ų61.83%0.02731%0.314CS..Hα-helixtrans-66.1-43.2178.8-179.3-108.4000113.1F25 L26 Y27 K49 L71 L73 V171 D172 V175F25-Y29 PolarHBondContact O-N 2.84Å; L26-Y29 PolarHBondContact O-N 3.45Å; Y27-Y29 VanDerWaalsContact C-N 3.32Å; Y27-Y29 PolarHBondContact O-N 3.22Å; Y29-K49 HydrophobicContact CD1-CD 3.83Å; Y29-K49 HydrophobicContact CE1-CB 4.41Å; Y29-K49 HydrophobicContact CE1-CD 3.35Å; Y29-K49 HydrophobicContact CE1-CG 4.47Å; Y29-K49 HydrophobicContact CE2-CD 4.45Å; Y29-K49 WeakPolarHBondContact O-CE 3.46Å; Y29-K49 PolarHBondContact O-NZ 3.44Å; Y29-L71 HydrophobicContact CE1-CD1 3.84Å; Y29-L71 WeakPolarHBondContact OH-CD1 3.44Å; Y29-L73 HydrophobicContact CD1-CD1 3.51Å; Y29-L73 HydrophobicContact CE1-CD1 3.85Å; Y29-V171 HydrophobicContact CD2-CG1 4.46Å; Y29-D172 HydrophobicContact CD2-CB 4.47Å; Y29-D172 WeakPolarHBondContact CD2-OD1 3.34Å; Y29-D172 HydrophobicContact CE2-CB 4.37Å; Y29-D172 WeakPolarHBondContact CE2-OD1 3.32Å; Y29-V175 HydrophobicContact CD1-CG1 4.25Å; Y29-V175 HydrophobicContact CD1-CG2 4.35Å; Y29-V175 HydrophobicContact CD2-CB 4.11Å; Y29-V175 HydrophobicContact CD2-CG1 4.46Å; Y29-V175 HydrophobicContact CD2-CG2 3.96Å; Y29-V175 HydrophobicContact CE1-CB 4.36Å; Y29-V175 HydrophobicContact CE1-CG1 3.68Å; Y29-V175 HydrophobicContact CE2-CB 3.8Å; Y29-V175 HydrophobicContact CE2-CG1 3.94Å; Y29-V175 HydrophobicContact CE2-CG2 4.18Å; Y29-V175 HydrophobicContact CG-CG2 4.03Å; Y29-V175 VanDerWaalsContact CZ-CG1 3.49Å
30T94.9Very high89Confident25 Ų2563.4 Ų63.415%0.15332%0.319CS..Hα-helixtrans-80.3-43.8-174.366.40000112.7L26 Y27 R47 K49 L73L26-T30 VanDerWaalsContact O-CG2 3.31Å; L26-T30 WeakPolarHBondContact O-CG2 3.25Å; L26-T30 PolarHBondContact O-N 3.2Å; L26-T30 PolarHBondContact O-OG1 3.07Å; Y27-T30 PolarHBondContact O-N 3.32Å; T30-R47 HydrophobicContact CG2-CB 3.91Å; T30-R47 PolarHBondContact OG1-NH1 3.34Å; T30-K49 HydrophobicContact CG2-CB 4.36Å; T30-L73 HydrophobicContact CG2-CD1 3.55Å
31D92.1Very high88.1Confident67 Ų6764.6 Ų64.636%0.35833%0.326SS..Hα-helixtrans-113.3-4.4-166.3-57.9-1.9000112.6Y27 K33 R47Y27-D31 PolarHBondContact O-N 2.9Å; D31-K33 HydrophobicContact CB-CB 4.29Å; D31-K33 HydrophobicContact CB-CD 4.18Å; D31-K33 HydrophobicContact CB-CG 4.3Å; D31-K33 WeakPolarHBondContact O-CG 3.41Å; D31-K33 PolarHBondContact O-N 2.83Å; D31-R47 IonicContact OD1-NH1 3.06Å; D31-R47 PolarHBondContact OD1-NH1 3.09Å; D31-R47 VanDerWaalsContact OD1-NH1 3.16Å; D31-R47 IonicContact OD2-CZ 3.17Å; D31-R47 IonicContact OD2-NH1 2.69Å; D31-R47 PolarHBondContact OD2-NH1 3.3Å; D31-R47 IonicContact OD2-NH2 3.09Å
32N91.6Very high87.1Confident118 Ų11869.7 Ų69.763%0.63135%0.354SS*.SBendtrans50.239.3-170.9-161.920.1000112.9R28R28-N32 PolarHBondContact NH1-O 3.32Å; R28-N32 PolarHBondContact NH1-OD1 2.78Å; R28-N32 WeakPolarHBondContact O-CA 3.27Å; R28-N32 PolarHBondContact O-N 3.1Å
33K88.1Confident86Confident138 Ų13869.9 Ų69.960%0.636%0.358SS*.  trans-122.5150.6-179.7-73.1173.4-171.5175.50110.9R28 D31R28-K33 WeakPolarHBondContact CA-O 3.46Å; D31-K33 HydrophobicContact CB-CB 4.29Å; D31-K33 HydrophobicContact CB-CD 4.18Å; D31-K33 HydrophobicContact CB-CG 4.3Å; D31-K33 WeakPolarHBondContact O-CG 3.41Å; D31-K33 PolarHBondContact O-N 2.83Å
34F86.4Confident85.3Confident90 Ų9070 Ų7040%0.39536%0.357SS..  trans-125.2127.7171173.9-102.7000109.3T24 R28 P36 A166T24-F34 HydrophobicContact CG2-CD2 3.34Å; T24-F34 HydrophobicContact CG2-CE2 3.55Å; T24-F34 HydrophobicContact CG2-CG 4.47Å; R28-F34 VanDerWaalsContact NH2-CB 3.26Å; F34-P36 HydrophobicContact CE1-CB 3.81Å; F34-P36 HydrophobicContact CZ-CB 4.36Å; F34-A166 VanDerWaalsContact CD2-CA 3.48Å; F34-A166 HydrophobicContact CD2-CB 4.15Å; F34-A166 HydrophobicContact CE1-CB 4.31Å; F34-A166 HydrophobicContact CE2-CB 3.84Å; F34-A166 HydrophobicContact CZ-CB 3.93Å
35N82.8Confident84.9Confident84 Ų8472.1 Ų72.145%0.44937%0.367SS..  trans-109.4115.4170.8-174.6-4.8000108.3K37N35-K37 PolarHBondContact O-N 2.75Å; N35-K37 WeakPolarHBondContact OD1-CB 3.49Å; N35-K37 PolarHBondContact OD1-N 2.81Å
36P78Confident84.5Confident103 Ų10376.4 Ų76.467%0.66939%0.386SS*.  trans-70.5-17.1179.727.6-34.1000112.9F34 F38F34-P36 HydrophobicContact CE1-CB 3.81Å; F34-P36 HydrophobicContact CZ-CB 4.36Å; P36-F38 PolarHBondContact O-N 2.93Å
37K79.9Confident84.3Confident162 Ų16278.7 Ų78.770%0.70439%0.394SS*.SBendtrans-72.1113.1178.5-65.2-175.6179.9-1800109.5N35 I39N35-K37 PolarHBondContact O-N 2.75Å; N35-K37 WeakPolarHBondContact OD1-CB 3.49Å; N35-K37 PolarHBondContact OD1-N 2.81Å; K37-I39 PolarHBondContact O-N 3.05Å
38F70.8Confident84.3Confident131 Ų13178.9 Ų78.958%0.57540%0.399SS*.  trans-69.8115.2170.3-177.7-105.8000109.9P36 T40P36-F38 PolarHBondContact O-N 2.93Å; F38-T40 VanDerWaalsContact CE1-OG1 3.3Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.29Å
39I76.4Confident84.2Confident126 Ų12679.8 Ų79.865%0.64640%0.404SS*.  trans-117.3120.7169.1-57.1176.6000106.2K37 T41K37-I39 PolarHBondContact O-N 3.05Å; I39-T41 PolarHBondContact O-N 2.88Å
40T76.4Confident84.1Confident61 Ų6187.1 Ų87.137%0.37443%0.431SS..PPolyproline II helixtrans-66.1124177.7-53.40000109.8F38 V42F38-T40 VanDerWaalsContact CE1-OG1 3.3Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.29Å; T40-V42 PolarHBondContact O-N 3.41Å
41T75.3Confident84.1Confident27 Ų2787.2 Ų87.217%0.16643%0.431CS..PPolyproline II helixtrans-63.4122.5171.4-50.50000109.8T23 I39 D75 A77T23-T41 PolarHBondContact OG1-OG1 3.09Å; I39-T41 PolarHBondContact O-N 2.88Å; T41-D75 PolarHBondContact OG1-OD2 3.21Å; T41-D75 VanDerWaalsContact OG1-OD2 3.11Å; T41-A77 WeakPolarHBondContact O-CB 3.31Å
42V73.5Confident84.2Confident120 Ų12088.9 Ų88.973%0.72744%0.444SS*.PPolyproline II helixtrans-96.5118.4173-179.80000107.7T40 F82T40-V42 PolarHBondContact O-N 3.41Å; V42-F82 HydrophobicContact CG1-CZ 4.41Å
43G72.6Confident84.2Confident12 Ų1284.3 Ų84.312%0.12442%0.418CS..SBendtrans74.9-129.9-177.900000112.9A77G43-A77 WeakPolarHBondContact O-CB 3.49Å; G43-A77 PolarHBondContact O-N 2.77Å
44I79.3Confident84.2Confident41 Ų4181 Ų8121%0.2141%0.409CS..EExtended strand (participates in β ladder)trans-135.2135.2-174.1-67171.6000108.2W74 D75 L85 F89I44-W74 HydrophobicContact CG2-CE3 3.65Å; I44-W74 HydrophobicContact CG2-CZ3 4.01Å; I44-D75 WeakPolarHBondContact CA-O 3.42Å; I44-L85 HydrophobicContact CD1-CD2 4.25Å; I44-L85 HydrophobicContact CD1-CG 3.99Å; I44-L85 HydrophobicContact CG1-CD2 4.4Å; I44-F89 HydrophobicContact CD1-CD1 4.4Å; I44-F89 HydrophobicContact CD1-CD2 3.11Å; I44-F89 HydrophobicContact CD1-CE1 4.41Å; I44-F89 HydrophobicContact CD1-CE2 3.14Å; I44-F89 HydrophobicContact CD1-CG 3.8Å; I44-F89 HydrophobicContact CD1-CZ 3.82Å; I44-F89 HydrophobicContact CG1-CE2 4.46Å; I44-F89 HydrophobicContact CG2-CE1 4.35Å; I44-F89 HydrophobicContact CG2-CZ 4.47Å
45D86.1Confident84Confident78 Ų7877.6 Ų77.642%0.41740%0.396SS..EExtended strand (participates in β ladder)trans-126.6162.7174.5-165.910.8000108.6D75D45-D75 PolarHBondContact N-O 3.41Å; D45-D75 VanDerWaalsContact N-O 3.1Å; D45-D75 PolarHBondContact O-N 3.05Å
46F87.6Confident83.5Confident90 Ų9079.1 Ų79.140%0.39541%0.413SS..EExtended strand (participates in β ladder)trans-141.7154.6172.874.3-86000111.9E48 L73 W74F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.97Å; F46-L73 CarbonylContact C-O 3.55Å; F46-L73 VanDerWaalsContact CA-O 3.25Å; F46-L73 WeakPolarHBondContact CA-O 3.5Å; F46-W74 HydrophobicContact CB-CD2 3.94Å; F46-W74 HydrophobicContact CB-CE3 3.99Å; F46-W74 HydrophobicContact CB-CG 4.25Å; F46-W74 HydrophobicContact CB-CZ3 4.42Å; F46-W74 HydrophobicContact CD1-CH2 4.28Å; F46-W74 HydrophobicContact CD1-CZ3 4.23Å
47R91.1Very high82.8Confident50 Ų5077.4 Ų77.419%0.18940%0.398CS..EExtended strand (participates in β ladder)trans-127152177.4-64.8-175.3148.3-105.4-21.8110.7Y27 T30 D31 L73Y27-R47 VanDerWaalsContact CD2-NE 3.26Å; Y27-R47 VanDerWaalsContact CE2-NH2 3.34Å; Y27-R47 PolarHBondContact OH-NH2 3.29Å; T30-R47 HydrophobicContact CG2-CB 3.91Å; T30-R47 PolarHBondContact OG1-NH1 3.34Å; D31-R47 IonicContact OD1-NH1 3.06Å; D31-R47 PolarHBondContact OD1-NH1 3.09Å; D31-R47 VanDerWaalsContact OD1-NH1 3.16Å; D31-R47 IonicContact OD2-CZ 3.17Å; D31-R47 IonicContact OD2-NH1 2.69Å; D31-R47 PolarHBondContact OD2-NH1 3.3Å; D31-R47 IonicContact OD2-NH2 3.09Å; R47-L73 PolarHBondContact N-O 3.02Å; R47-L73 PolarHBondContact O-N 2.88Å
48E94.6Very high81.8Confident96 Ų9676.1 Ų76.145%0.44941%0.407SS..EExtended strand (participates in β ladder)trans-117.6137.9-178.3-70.2-175.714500111.1F46 H70 L71 Q72F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.97Å; E48-H70 WeakPolarHBondContact CB-NE2 3.37Å; E48-H70 VanDerWaalsContact CD-NE2 3.34Å; E48-H70 IonicContact OE1-CE1 2.68Å; E48-H70 IonicContact OE1-NE2 3.73Å; E48-H70 IonicContact OE2-CE1 3.2Å; E48-H70 IonicContact OE2-NE2 2.64Å; E48-L71 VanDerWaalsContact CA-O 3.25Å; E48-L71 WeakPolarHBondContact CA-O 3.38Å; E48-Q72 HydrophobicContact CG-CG 3.99Å; E48-Q72 PolarHBondContact OE1-NE2 2.81Å
49K94.9Very high81.4Confident50 Ų5075.5 Ų75.522%0.21741%0.409CS..EExtended strand (participates in β ladder)trans-141128.8172.2-167.4-177-174.8176.30109.4Y29 T30 V51 L71 D172Y29-K49 HydrophobicContact CD1-CD 3.83Å; Y29-K49 HydrophobicContact CE1-CB 4.41Å; Y29-K49 HydrophobicContact CE1-CD 3.35Å; Y29-K49 HydrophobicContact CE1-CG 4.47Å; Y29-K49 HydrophobicContact CE2-CD 4.45Å; Y29-K49 WeakPolarHBondContact O-CE 3.46Å; Y29-K49 PolarHBondContact O-NZ 3.44Å; T30-K49 HydrophobicContact CG2-CB 4.36Å; K49-V51 HydrophobicContact CD-CG1 3.99Å; K49-V51 HydrophobicContact CG-CG1 4.01Å; K49-L71 PolarHBondContact N-O 3.49Å; K49-L71 WeakPolarHBondContact O-CB 3.14Å; K49-L71 PolarHBondContact O-N 3.39Å; K49-D172 IonicContact NZ-OD1 3.2Å
50R94.5Very high80.4Confident161 Ų16172.8 Ų72.861%0.60841%0.412SS*.EExtended strand (participates in β ladder)trans-86.5128.4169.9-64.8-176.4-177.3-171.60.2109.1V69R50-V69 CarbonylContact C-O 3.6Å; R50-V69 WeakPolarHBondContact CA-O 3.42Å
51V94.6Very high79.4Confident26 Ų2673.3 Ų73.316%0.15842%0.416CS..EExtended strand (participates in β ladder)trans-131.7159.4178.5-57.10000110K49 V69 L71 L179K49-V51 HydrophobicContact CD-CG1 3.99Å; K49-V51 HydrophobicContact CG-CG1 4.01Å; V51-V69 HydrophobicContact CG2-CB 3.81Å; V51-V69 HydrophobicContact CG2-CG1 4.27Å; V51-V69 PolarHBondContact N-O 2.93Å; V51-V69 PolarHBondContact O-N 3.32Å; V51-L71 HydrophobicContact CG1-CD1 3.89Å; V51-L71 HydrophobicContact CG2-CD1 3.88Å; V51-L71 HydrophobicContact CG2-CG 3.98Å; V51-L179 HydrophobicContact CG2-CD2 3.88Å
52V93Very high78.4Confident102 Ų10279 Ų7962%0.61845%0.451SS*.EExtended strand (participates in β ladder)trans-109.2120.5175.2177.30000107.6T66 F67V52-T66 HydrophobicContact CG1-CG2 3.17Å; V52-F67 CarbonylContact C-O 3.48Å; V52-F67 WeakPolarHBondContact CA-O 3.28Å
53Y91.4Very high77.8Confident22 Ų2278.3 Ų78.39%0.08645%0.447CS..EExtended strand (participates in β ladder)trans-106131.7177.6177.4-102.5000109.2T55 T66 F67 L179 D180 M183Y53-T55 HydrophobicContact CD1-CG2 4.42Å; Y53-T55 HydrophobicContact CE1-CG2 3.73Å; Y53-T66 CarbonylContact O-C 3.59Å; Y53-T66 WeakPolarHBondContact O-CA 3.5Å; Y53-F67 HydrophobicContact CD1-CD2 4.2Å; Y53-F67 PolarHBondContact N-O 3.43Å; Y53-F67 PolarHBondContact O-N 3.36Å; Y53-L179 HydrophobicContact CD2-CD2 4.34Å; Y53-L179 HydrophobicContact CD2-CG 4.4Å; Y53-D180 HydrophobicContact CE2-CB 4.29Å; Y53-D180 PolarHBondContact OH-OD1 3.47Å; Y53-D180 VanDerWaalsContact OH-OD1 3.08Å; Y53-M183 HydrophobicContact CD1-CB 4.31Å; Y53-M183 HydrophobicContact CD1-CE 3.65Å; Y53-M183 HydrophobicContact CD1-CG 3.99Å; Y53-M183 HydrophobicContact CD2-CG 4.48Å; Y53-M183 HydrophobicContact CE1-CB 3.7Å; Y53-M183 HydrophobicContact CE1-CE 4Å; Y53-M183 HydrophobicContact CE1-CG 3.9Å; Y53-M183 HydrophobicContact CE2-CB 4.43Å; Y53-M183 HydrophobicContact CE2-CG 4.41Å; Y53-M183 HydrophobicContact CG-CE 4.46Å; Y53-M183 HydrophobicContact CG-CG 4.28Å
54T88.4Confident77.6Confident69 Ų6978.6 Ų78.642%0.42345%0.45SS..EExtended strand (participates in β ladder)trans-123124.2178.3-59.40000109.2K65 T66T54-K65 WeakPolarHBondContact CA-O 3.35Å; T54-T66 PolarHBondContact OG1-OG1 2.85Å; T54-T66 VanDerWaalsContact OG1-OG1 3.08Å
55T82.1Confident77.8Confident19 Ų1983.8 Ų83.812%0.11747%0.471CS..PPolyproline II helixtrans-70.4145.8178.358.20000110.6Y53 G64 K65 F67 E187Y53-T55 HydrophobicContact CD1-CG2 4.42Å; Y53-T55 HydrophobicContact CE1-CG2 3.73Å; T55-G64 WeakPolarHBondContact O-CA 3.35Å; T55-K65 PolarHBondContact N-O 3Å; T55-K65 PolarHBondContact OG1-N 2.93Å; T55-K65 PolarHBondContact OG1-O 3.02Å; T55-F67 HydrophobicContact CG2-CD2 4.36Å; T55-F67 HydrophobicContact CG2-CE2 3.82Å; T55-E187 WeakPolarHBondContact CG2-OE1 3.42Å
56S72.3Confident77.9Confident116 Ų11684 Ų8481%0.81148%0.475SS*.PPolyproline II helixtrans-99.2118.4172.5-61.90000108.7
57N63.3Low78.1Confident66 Ų6681.1 Ų81.135%0.35346%0.463SS..PPolyproline II helixtrans-70.3136.2175.6-98.8-5.7000109.8N59 G60 T63N57-N59 VanDerWaalsContact CB-OD1 3.31Å; N57-N59 WeakPolarHBondContact CB-OD1 3.37Å; N57-N59 PolarHBondContact O-N 3.06Å; N57-G60 PolarHBondContact O-N 3.2Å; N57-G60 VanDerWaalsContact O-N 3.11Å; N57-T63 PolarHBondContact ND2-O 3.11Å
58P59.6Low78.2Confident135 Ų13583 Ų8388%0.87747%0.472SS*.THydrogen-bonded Turntrans-56.2-19.7-176.7-24.232.2000114.7
59N63.1Low78.2Confident118 Ų11878.5 Ų78.563%0.63145%0.451SS*.THydrogen-bonded Turntrans-90.68.4-175.831.4-15.3000114N57 T61N57-N59 VanDerWaalsContact CB-OD1 3.31Å; N57-N59 WeakPolarHBondContact CB-OD1 3.37Å; N57-N59 PolarHBondContact O-N 3.06Å; N59-T61 PolarHBondContact O-N 3.37Å
60G54.6Low78.3Confident69 Ų6977.1 Ų77.171%0.71145%0.445SS*.  trans72.4-0.6168.600000115.8N57N57-G60 PolarHBondContact O-N 3.2Å; N57-G60 VanDerWaalsContact O-N 3.11Å
61T56.4Low78.3Confident73 Ų7369.4 Ų69.445%0.44842%0.417SS..  trans-79.7127.5171.5480000110.4N59 T63N59-T61 PolarHBondContact O-N 3.37Å; T61-T63 PolarHBondContact O-N 3.44Å
62T52.5Low78.4Confident147 Ų14769.6 Ų69.690%0.90242%0.415SS*.SBendtrans-66.824.1-177.9-38.60000114.8G64T62-G64 PolarHBondContact O-N 3.47Å
63T61.1Low78.5Confident104 Ų10464.7 Ų64.764%0.63839%0.386SS*.  trans-103.157.6177.155.10000110.1N57 T61N57-T63 PolarHBondContact ND2-O 3.11Å; T61-T63 PolarHBondContact O-N 3.44Å
64G69.6Low78.5Confident19 Ų1965.8 Ų65.820%0.19639%0.39CS..PPolyproline II helixtrans-71156.5169.800000112.3T55 T62T55-G64 WeakPolarHBondContact O-CA 3.35Å; T62-G64 PolarHBondContact O-N 3.47Å
65K83Confident78.6Confident149 Ų14962.8 Ų62.865%0.64837%0.371SS*.PPolyproline II helixtrans-74.2132.3166.1-73.2-177.3-178.7174.50108.2T54 T55 F67T54-K65 WeakPolarHBondContact CA-O 3.35Å; T55-K65 PolarHBondContact N-O 3Å; T55-K65 PolarHBondContact OG1-N 2.93Å; T55-K65 PolarHBondContact OG1-O 3.02Å; K65-F67 HydrophobicContact CB-CD2 4.49Å; K65-F67 HydrophobicContact CB-CE1 4.43Å; K65-F67 HydrophobicContact CB-CE2 3.69Å; K65-F67 HydrophobicContact CB-CZ 3.67Å; K65-F67 HydrophobicContact CD-CZ 3.94Å; K65-F67 HydrophobicContact CG-CZ 4.47Å
66T88.2Confident78.7Confident83 Ų8361.9 Ų61.951%0.50937%0.366SS..EExtended strand (participates in β ladder)trans-103.1133176.2-60.80000109.4V52 Y53 T54V52-T66 HydrophobicContact CG1-CG2 3.17Å; Y53-T66 CarbonylContact O-C 3.59Å; Y53-T66 WeakPolarHBondContact O-CA 3.5Å; T54-T66 PolarHBondContact OG1-OG1 2.85Å; T54-T66 VanDerWaalsContact OG1-OG1 3.08Å
67F90.9Very high79Confident30 Ų3056.5 Ų56.513%0.13233%0.328CS..EExtended strand (participates in β ladder)trans-126.7136.6-178.7-57.5-74.7000110.4D7 Y8 V52 Y53 T55 K65 M183D7-F67 HydrophobicContact CB-CB 4.28Å; D7-F67 HydrophobicContact CB-CD1 4.19Å; D7-F67 WeakPolarHBondContact OD2-CA 3.38Å; Y8-F67 HydrophobicContact CD2-CB 3.97Å; Y8-F67 HydrophobicContact CD2-CD1 4.24Å; Y8-F67 HydrophobicContact CD2-CG 4.14Å; Y8-F67 HydrophobicContact CE2-CB 4.02Å; Y8-F67 AromaticContact CE2-CD1 3.5Å; Y8-F67 HydrophobicContact CE2-CD1 3.5Å; Y8-F67 VanDerWaalsContact CE2-CD1 3.5Å; Y8-F67 HydrophobicContact CE2-CD2 4.23Å; Y8-F67 AromaticContact CE2-CE1 3.88Å; Y8-F67 HydrophobicContact CE2-CE1 3.88Å; Y8-F67 AromaticContact CE2-CG 3.67Å; Y8-F67 HydrophobicContact CE2-CG 3.67Å; Y8-F67 HydrophobicContact CE2-CZ 4.37Å; V52-F67 CarbonylContact C-O 3.48Å; V52-F67 WeakPolarHBondContact CA-O 3.28Å; Y53-F67 HydrophobicContact CD1-CD2 4.2Å; Y53-F67 PolarHBondContact N-O 3.43Å; Y53-F67 PolarHBondContact O-N 3.36Å; T55-F67 HydrophobicContact CG2-CD2 4.36Å; T55-F67 HydrophobicContact CG2-CE2 3.82Å; K65-F67 HydrophobicContact CB-CD2 4.49Å; K65-F67 HydrophobicContact CB-CE1 4.43Å; K65-F67 HydrophobicContact CB-CE2 3.69Å; K65-F67 HydrophobicContact CB-CZ 3.67Å; K65-F67 HydrophobicContact CD-CZ 3.94Å; K65-F67 HydrophobicContact CG-CZ 4.47Å; F67-M183 HydrophobicContact CD2-CE 4.31Å
68K93.7Very high79.1Confident90 Ų9053.8 Ų53.839%0.39132%0.316SS..EExtended strand (participates in β ladder)trans-81117.2167.3-64.4-177.3-173.5-179.40108.3D5 Y6 D7 Y8D5-K68 WeakPolarHBondContact O-CD 3.25Å; D5-K68 IonicContact OD1-NZ 2.63Å; D5-K68 PolarHBondContact OD1-NZ 2.85Å; D5-K68 IonicContact OD2-NZ 3.35Å; D5-K68 PolarHBondContact OD2-NZ 2.95Å; D5-K68 VanDerWaalsContact OD2-NZ 3.17Å; Y6-K68 CarbonylContact C-O 3.59Å; D7-K68 PolarHBondContact N-O 3.03Å; D7-K68 PolarHBondContact OD2-N 3.17Å; Y8-K68 PolarHBondContact N-O 2.77Å
69V95.2Very high79.2Confident1 Ų149.4 Ų49.41%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-109.6128.5179.5-179.30000109.5Y8 I10 R50 V51 L71 L179 M183Y8-V69 CarbonylContact O-C 3.54Å; Y8-V69 WeakPolarHBondContact O-CA 3.17Å; I10-V69 HydrophobicContact CB-CG1 4.07Å; I10-V69 HydrophobicContact CG1-CG1 3.62Å; R50-V69 CarbonylContact C-O 3.6Å; R50-V69 WeakPolarHBondContact CA-O 3.42Å; V51-V69 HydrophobicContact CG2-CB 3.81Å; V51-V69 HydrophobicContact CG2-CG1 4.27Å; V51-V69 PolarHBondContact N-O 2.93Å; V51-V69 PolarHBondContact O-N 3.32Å; V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.29Å; V69-L179 HydrophobicContact CG1-CD1 4.11Å; V69-M183 HydrophobicContact CG2-CE 4.43Å; V69-M183 HydrophobicContact CG2-SD 4.48Å
70H95.8Very high78.9Confident20 Ų2049.7 Ų49.79%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-94.6108.2167.4-166.5176.4000108.5Y6 Y8 L9 I10 E48Y6-H70 HydrophobicContact CD1-CB 3.8Å; Y6-H70 AromaticContact CD1-ND1 3.7Å; Y6-H70 HydrophobicContact CD2-CB 3.83Å; Y6-H70 HydrophobicContact CE1-CB 4.24Å; Y6-H70 AromaticContact CE1-ND1 3.52Å; Y6-H70 HydrophobicContact CE2-CB 4.27Å; Y6-H70 HydrophobicContact CG-CB 3.58Å; Y8-H70 PolarHBondContact O-N 3.31Å; L9-H70 WeakPolarHBondContact CA-O 3.49Å; L9-H70 HydrophobicContact CD1-CB 4.11Å; L9-H70 WeakPolarHBondContact CD1-O 3.34Å; I10-H70 PolarHBondContact N-O 3.07Å; E48-H70 WeakPolarHBondContact CB-NE2 3.37Å; E48-H70 VanDerWaalsContact CD-NE2 3.34Å; E48-H70 IonicContact OE1-CE1 2.68Å; E48-H70 IonicContact OE1-NE2 3.73Å; E48-H70 IonicContact OE2-CE1 3.2Å; E48-H70 IonicContact OE2-NE2 2.64Å
71L96.1Very high79.1Confident0 Ų055 Ų550%028%0.28CS..EExtended strand (participates in β ladder)trans-85.1127.3175.6-63.9176.5000110I10 L12 Y29 E48 K49 V51 V69 L73 V175 L179I10-L71 HydrophobicContact CB-CD2 3.97Å; I10-L71 HydrophobicContact CG2-CD2 4.13Å; I10-L71 WeakPolarHBondContact O-CA 3.36Å; L12-L71 HydrophobicContact CD1-CD2 4.21Å; Y29-L71 HydrophobicContact CE1-CD1 3.84Å; Y29-L71 WeakPolarHBondContact OH-CD1 3.44Å; E48-L71 VanDerWaalsContact CA-O 3.25Å; E48-L71 WeakPolarHBondContact CA-O 3.38Å; K49-L71 PolarHBondContact N-O 3.49Å; K49-L71 WeakPolarHBondContact O-CB 3.14Å; K49-L71 PolarHBondContact O-N 3.39Å; V51-L71 HydrophobicContact CG1-CD1 3.89Å; V51-L71 HydrophobicContact CG2-CD1 3.88Å; V51-L71 HydrophobicContact CG2-CG 3.98Å; V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.29Å; L71-L73 HydrophobicContact CB-CD2 4.35Å; L71-L73 HydrophobicContact CB-CG 4.35Å; L71-V175 HydrophobicContact CD1-CG1 4.42Å; L71-L179 HydrophobicContact CD2-CD1 4.03Å; L71-L179 HydrophobicContact CD2-CD2 4.38Å
72Q95.7Very high79.3Confident29 Ų2954.5 Ų54.514%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-103.8113.8161.6-79.4-177.7-12.100108.9L9 I10 K11 L12 E48L9-Q72 HydrophobicContact CD1-CG 3.9Å; I10-Q72 PolarHBondContact O-N 2.64Å; K11-Q72 CarbonylContact C-O 3.6Å; K11-Q72 WeakPolarHBondContact CA-O 3.48Å; K11-Q72 HydrophobicContact CG-CB 4.18Å; L12-Q72 PolarHBondContact N-O 2.93Å; E48-Q72 HydrophobicContact CG-CG 3.99Å; E48-Q72 PolarHBondContact OE1-NE2 2.81Å
73L94.7Very high79.8Confident0 Ų051.5 Ų51.50%024%0.244CC..EExtended strand (participates in β ladder)trans-106.1102.8-175.6-58.1169.4000108.6L12 L26 Y29 T30 F46 R47 L71 V175L12-L73 HydrophobicContact CB-CD2 4.06Å; L12-L73 HydrophobicContact CD1-CD2 4.02Å; L12-L73 HydrophobicContact CG-CD2 4.43Å; L12-L73 WeakPolarHBondContact O-CA 3.45Å; L26-L73 HydrophobicContact CD1-CB 4.36Å; L26-L73 HydrophobicContact CD2-CB 4.02Å; L26-L73 HydrophobicContact CD2-CD1 4.35Å; L26-L73 HydrophobicContact CD2-CD2 4.49Å; Y29-L73 HydrophobicContact CD1-CD1 3.51Å; Y29-L73 HydrophobicContact CE1-CD1 3.85Å; T30-L73 HydrophobicContact CG2-CD1 3.55Å; F46-L73 CarbonylContact C-O 3.55Å; F46-L73 VanDerWaalsContact CA-O 3.25Å; F46-L73 WeakPolarHBondContact CA-O 3.5Å; R47-L73 PolarHBondContact N-O 3.02Å; R47-L73 PolarHBondContact O-N 2.88Å; L71-L73 HydrophobicContact CB-CD2 4.35Å; L71-L73 HydrophobicContact CB-CG 4.35Å; L73-V175 HydrophobicContact CD2-CG1 4.5Å
74W92.7Very high79.8Confident44 Ų4451.4 Ų51.417%0.16725%0.247CC..EExtended strand (participates in β ladder)trans-86.8123.7-176.4-67.382.1000110.3L12 L13 A14 I44 F46 F89L12-W74 PolarHBondContact O-N 2.86Å; L13-W74 HydrophobicContact CB-CB 4.43Å; L13-W74 HydrophobicContact CD1-CB 3.22Å; L13-W74 HydrophobicContact CD1-CG 4.23Å; L13-W74 HydrophobicContact CG-CB 4.4Å; A14-W74 PolarHBondContact N-O 3.23Å; I44-W74 HydrophobicContact CG2-CE3 3.65Å; I44-W74 HydrophobicContact CG2-CZ3 4.01Å; F46-W74 HydrophobicContact CB-CD2 3.94Å; F46-W74 HydrophobicContact CB-CE3 3.99Å; F46-W74 HydrophobicContact CB-CG 4.25Å; F46-W74 HydrophobicContact CB-CZ3 4.42Å; F46-W74 HydrophobicContact CD1-CH2 4.28Å; F46-W74 HydrophobicContact CD1-CZ3 4.23Å; W74-F89 HydrophobicContact CD2-CD1 4.46Å; W74-F89 AromaticContact CE3-CD1 3.75Å; W74-F89 HydrophobicContact CE3-CD1 3.75Å; W74-F89 AromaticContact CE3-CE1 3.94Å; W74-F89 HydrophobicContact CE3-CE1 3.94Å; W74-F89 HydrophobicContact CH2-CD1 4.18Å; W74-F89 AromaticContact CH2-CE1 3.9Å; W74-F89 HydrophobicContact CH2-CE1 3.9Å; W74-F89 AromaticContact CZ3-CD1 3.61Å; W74-F89 HydrophobicContact CZ3-CD1 3.61Å; W74-F89 AromaticContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CZ 4.45Å
75D90.3Very high79.5Confident6 Ų654.3 Ų54.33%0.03226%0.258CS..EExtended strand (participates in β ladder)trans-98.8122.5174.3-170.831.5000109.5K22 T23 L26 T41 I44 D45K22-D75 WeakPolarHBondContact CB-OD1 3.19Å; T23-D75 WeakPolarHBondContact CA-OD2 2.94Å; T23-D75 VanDerWaalsContact CB-OD2 3.26Å; T23-D75 WeakPolarHBondContact CB-OD2 3.4Å; T23-D75 WeakPolarHBondContact CG2-OD2 3.3Å; T23-D75 PolarHBondContact N-OD1 3.33Å; T23-D75 PolarHBondContact OG1-OD2 3.06Å; L26-D75 HydrophobicContact CD1-CB 3.79Å; T41-D75 PolarHBondContact OG1-OD2 3.21Å; T41-D75 VanDerWaalsContact OG1-OD2 3.11Å; I44-D75 WeakPolarHBondContact CA-O 3.42Å; D45-D75 PolarHBondContact N-O 3.41Å; D45-D75 VanDerWaalsContact N-O 3.1Å; D45-D75 PolarHBondContact O-N 3.05Å
76T84.5Confident78.7Confident1 Ų147.3 Ų47.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-101.2144.2176.572.40000111.7L13 A14 L15 K22 G78 T86L13-T76 HydrophobicContact CD1-CG2 3.38Å; L13-T76 HydrophobicContact CD2-CG2 4.28Å; L13-T76 HydrophobicContact CG-CG2 3.93Å; A14-T76 PolarHBondContact O-OG1 2.81Å; A14-T76 VanDerWaalsContact O-OG1 3.12Å; L15-T76 HydrophobicContact CD2-CG2 3.71Å; K22-T76 WeakPolarHBondContact CE-O 3.46Å; T76-G78 PolarHBondContact O-N 3.21Å; T76-T86 HydrophobicContact CG2-CG2 3.88Å
77A77.9Confident77.9Confident2 Ų245.2 Ų45.22%0.01722%0.215CC..PPolyproline II helixtrans-55.9128.2161.400000110.1T41 G43 Q79 F82T41-A77 WeakPolarHBondContact O-CB 3.31Å; G43-A77 WeakPolarHBondContact O-CB 3.49Å; G43-A77 PolarHBondContact O-N 2.77Å; A77-Q79 PolarHBondContact O-N 3.12Å; A77-F82 HydrophobicContact CB-CB 4.05Å; A77-F82 HydrophobicContact CB-CD2 3.76Å; A77-F82 HydrophobicContact CB-CG 4.14Å
78G65.1Low76.9Confident9 Ų946.8 Ų46.89%0.09323%0.233CC..  trans-84.58176.700000114G16 S18 T76G16-G78 WeakPolarHBondContact O-CA 3.22Å; S18-G78 PolarHBondContact N-O 3.24Å; T76-G78 PolarHBondContact O-N 3.21Å
79Q62Low76Confident44 Ų4445 Ų4521%0.20623%0.226CC..SBendtrans-87134.7-176.9-128.3178.843.300110.4A77 R81 F82A77-Q79 PolarHBondContact O-N 3.12Å; Q79-R81 PolarHBondContact O-N 3.4Å; Q79-R81 VanDerWaalsContact OE1-NE 3.07Å; Q79-F82 HydrophobicContact CB-CD2 3.91Å; Q79-F82 HydrophobicContact CB-CE2 4.42Å; Q79-F82 PolarHBondContact O-N 2.9Å
80E57.7Low75.2Confident124 Ų12445 Ų4558%0.57923%0.226SC*.G310 helixtrans-56.6-29-179.960.6-77.9163.600113.4F82 R83E80-F82 PolarHBondContact O-N 3.31Å; E80-R83 WeakPolarHBondContact O-CB 3.17Å; E80-R83 WeakPolarHBondContact O-CG 3.48Å; E80-R83 PolarHBondContact O-N 3.01Å
81R57.9Low74.3Confident181 Ų18152 Ų5268%0.68325%0.251SS*.G310 helixtrans-63.7-19.2177.9-61.8-171.1-63.7179.9-0.1114.2Q79Q79-R81 PolarHBondContact O-N 3.4Å; Q79-R81 VanDerWaalsContact OE1-NE 3.07Å
82F60.3Low73.7Confident62 Ų6256.8 Ų56.827%0.27228%0.277SS..G310 helixtrans-106.65.8179.5-62.2-68.5000113.5V42 A77 Q79 E80 S84 L85 T86V42-F82 HydrophobicContact CG1-CZ 4.41Å; A77-F82 HydrophobicContact CB-CB 4.05Å; A77-F82 HydrophobicContact CB-CD2 3.76Å; A77-F82 HydrophobicContact CB-CG 4.14Å; Q79-F82 HydrophobicContact CB-CD2 3.91Å; Q79-F82 HydrophobicContact CB-CE2 4.42Å; Q79-F82 PolarHBondContact O-N 2.9Å; E80-F82 PolarHBondContact O-N 3.31Å; F82-S84 VanDerWaalsContact C-N 3.27Å; F82-S84 PolarHBondContact O-N 2.98Å; F82-L85 WeakPolarHBondContact O-CB 3.35Å; F82-L85 PolarHBondContact O-N 3.47Å; F82-T86 PolarHBondContact O-N 3.07Å; F82-T86 VanDerWaalsContact O-N 3.14Å; F82-T86 PolarHBondContact O-OG1 3.02Å; F82-T86 VanDerWaalsContact O-OG1 3.07Å
83R63Low73.3Confident83 Ų8356 Ų5631%0.31328%0.275SS..Hα-helixtrans-56.2-35.4-176.7-81.8177.7176.9170.31.1114.3E80 T86 T87 W114E80-R83 WeakPolarHBondContact O-CB 3.17Å; E80-R83 WeakPolarHBondContact O-CG 3.48Å; E80-R83 PolarHBondContact O-N 3.01Å; R83-T86 WeakPolarHBondContact O-CB 3.4Å; R83-T86 PolarHBondContact O-N 3.34Å; R83-T87 PolarHBondContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 3.26Å; R83-W114 HydrophobicContact CG-CH2 4.47Å
84S62.3Low73.2Confident102 Ų10258 Ų5871%0.71329%0.285SS*.Hα-helixtrans-67.8-32.9177.150.60000113.3F82 T87F82-S84 VanDerWaalsContact C-N 3.27Å; F82-S84 PolarHBondContact O-N 2.98Å; S84-T87 PolarHBondContact O-OG1 3.25Å
85L62.9Low73.3Confident80 Ų8056 Ų5642%0.41928%0.277SS..Hα-helixtrans-70.4-39.6173.8-172.666.5000110.3I44 F82 T87 A88 F89I44-L85 HydrophobicContact CD1-CD2 4.25Å; I44-L85 HydrophobicContact CD1-CG 3.99Å; I44-L85 HydrophobicContact CG1-CD2 4.4Å; F82-L85 WeakPolarHBondContact O-CB 3.35Å; F82-L85 PolarHBondContact O-N 3.47Å; L85-T87 PolarHBondContact O-N 2.89Å; L85-A88 PolarHBondContact O-N 3.06Å; L85-F89 HydrophobicContact CG-CE2 4.49Å; L85-F89 VanDerWaalsContact O-CD2 3.28Å; L85-F89 WeakPolarHBondContact O-CD2 3.34Å
86T66.5Low73.6Confident2 Ų255.8 Ų55.81%0.01228%0.276CS..Hα-helixtrans-64.2-36-178.1-53.70000113.1L15 T76 F82 R83 A88 F89 F90L15-T86 HydrophobicContact CD2-CG2 3.94Å; T76-T86 HydrophobicContact CG2-CG2 3.88Å; F82-T86 PolarHBondContact O-N 3.07Å; F82-T86 VanDerWaalsContact O-N 3.14Å; F82-T86 PolarHBondContact O-OG1 3.02Å; F82-T86 VanDerWaalsContact O-OG1 3.07Å; R83-T86 WeakPolarHBondContact O-CB 3.4Å; R83-T86 PolarHBondContact O-N 3.34Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.39Å; T86-F89 PolarHBondContact O-N 3.39Å; T86-F89 VanDerWaalsContact O-N 3.16Å; T86-F90 HydrophobicContact CG2-CD1 4.25Å; T86-F90 HydrophobicContact CG2-CE1 3.28Å; T86-F90 HydrophobicContact CG2-CZ 3.72Å; T86-F90 WeakPolarHBondContact O-CD1 3.42Å; T86-F90 WeakPolarHBondContact O-CE1 3.5Å
87T69.9Low74.2Confident39 Ų3955.8 Ų55.824%0.23928%0.276CS..Hα-helixtrans-62.1-28.4-18027.30000114.9R83 S84 L85 F89 F90 N121R83-T87 PolarHBondContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 3.26Å; S84-T87 PolarHBondContact O-OG1 3.25Å; L85-T87 PolarHBondContact O-N 2.89Å; T87-F89 VanDerWaalsContact C-N 3.28Å; T87-F89 PolarHBondContact O-N 3.23Å; T87-F90 PolarHBondContact O-N 3.08Å; T87-N121 HydrophobicContact CG2-CB 4.22Å
88A71.7Confident75.1Confident63 Ų6355.7 Ų55.752%0.52128%0.276SS..Hα-helixtrans-65.5-33.9177.200000112.1L85 T86 F90L85-A88 PolarHBondContact O-N 3.06Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.39Å; A88-F90 VanDerWaalsContact C-N 3.34Å
89F74.1Confident76.7Confident53 Ų5355.3 Ų55.323%0.23227%0.271CS..Hα-helixtrans-83-12.1-176.5-65.3-93.9000113.1I44 W74 L85 T86 T87 R91 D92 A93I44-F89 HydrophobicContact CD1-CD1 4.4Å; I44-F89 HydrophobicContact CD1-CD2 3.11Å; I44-F89 HydrophobicContact CD1-CE1 4.41Å; I44-F89 HydrophobicContact CD1-CE2 3.14Å; I44-F89 HydrophobicContact CD1-CG 3.8Å; I44-F89 HydrophobicContact CD1-CZ 3.82Å; I44-F89 HydrophobicContact CG1-CE2 4.46Å; I44-F89 HydrophobicContact CG2-CE1 4.35Å; I44-F89 HydrophobicContact CG2-CZ 4.47Å; W74-F89 HydrophobicContact CD2-CD1 4.46Å; W74-F89 AromaticContact CE3-CD1 3.75Å; W74-F89 HydrophobicContact CE3-CD1 3.75Å; W74-F89 AromaticContact CE3-CE1 3.94Å; W74-F89 HydrophobicContact CE3-CE1 3.94Å; W74-F89 HydrophobicContact CH2-CD1 4.18Å; W74-F89 AromaticContact CH2-CE1 3.9Å; W74-F89 HydrophobicContact CH2-CE1 3.9Å; W74-F89 AromaticContact CZ3-CD1 3.61Å; W74-F89 HydrophobicContact CZ3-CD1 3.61Å; W74-F89 AromaticContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CE1 3.34Å; W74-F89 HydrophobicContact CZ3-CZ 4.45Å; L85-F89 HydrophobicContact CG-CE2 4.49Å; L85-F89 VanDerWaalsContact O-CD2 3.28Å; L85-F89 WeakPolarHBondContact O-CD2 3.34Å; T86-F89 PolarHBondContact O-N 3.39Å; T86-F89 VanDerWaalsContact O-N 3.16Å; T87-F89 VanDerWaalsContact C-N 3.28Å; T87-F89 PolarHBondContact O-N 3.23Å; F89-R91 PolarHBondContact O-N 3.02Å; F89-D92 PolarHBondContact O-N 2.74Å; F89-A93 PolarHBondContact O-N 3.28Å
90F78.3Confident78.4Confident1 Ų153.2 Ų53.20%0.00426%0.262CS..THydrogen-bonded Turntrans-67.4-28.1177.2-71.510.5000111.8L13 L15 T86 T87 A88 F96 Q117 L118 N121L13-F90 HydrophobicContact CD2-CD1 3.49Å; L13-F90 VanDerWaalsContact CD2-CD1 3.49Å; L13-F90 HydrophobicContact CD2-CE1 3.72Å; L15-F90 HydrophobicContact CD1-CD1 4.43Å; L15-F90 HydrophobicContact CD1-CE1 3.69Å; L15-F90 HydrophobicContact CD1-CZ 3.77Å; L15-F90 HydrophobicContact CD2-CE1 3.5Å; L15-F90 HydrophobicContact CD2-CZ 3.94Å; L15-F90 HydrophobicContact CG-CE1 4.25Å; T86-F90 HydrophobicContact CG2-CD1 4.25Å; T86-F90 HydrophobicContact CG2-CE1 3.28Å; T86-F90 HydrophobicContact CG2-CZ 3.72Å; T86-F90 WeakPolarHBondContact O-CD1 3.42Å; T86-F90 WeakPolarHBondContact O-CE1 3.5Å; T87-F90 PolarHBondContact O-N 3.08Å; A88-F90 VanDerWaalsContact C-N 3.34Å; F90-F96 HydrophobicContact CD1-CE1 4.37Å; F90-F96 HydrophobicContact CG-CE1 4.48Å; F90-Q117 HydrophobicContact CE2-CB 4.29Å; F90-L118 HydrophobicContact CD2-CD2 4.11Å; F90-L118 HydrophobicContact CE2-CD2 4.2Å; F90-L118 HydrophobicContact CE2-CG 4.41Å; F90-L118 HydrophobicContact CG-CD2 4.45Å; F90-N121 HydrophobicContact CB-CB 4.35Å; F90-N121 HydrophobicContact CD2-CB 3.87Å
91R77.6Confident80.4Confident167 Ų16747.9 Ų47.963%0.6324%0.237SC*.THydrogen-bonded Turntrans-76.7-28-179.9-66.2-178.3-178.4172.50.7113F89 N121 Y123F89-R91 PolarHBondContact O-N 3.02Å; R91-N121 WeakPolarHBondContact CG-O 3.43Å; R91-Y123 WeakPolarHBondContact O-CB 3.42Å
92D81.8Confident82.3Confident100 Ų10039.4 Ų39.454%0.53521%0.205SC..THydrogen-bonded Turntrans-94.2-10.6-177.4-68.3-15000112.9K11 F89K11-D92 WeakPolarHBondContact CD-O 3.08Å; F89-D92 PolarHBondContact O-N 2.74Å
93A89.2Confident84.1Confident12 Ų1237.5 Ų37.510%0.09920%0.199CC..  trans-83.6135.2178.400000111.4L13 F89 F96L13-A93 HydrophobicContact CB-CB 3.75Å; L13-A93 HydrophobicContact CD2-CB 4.27Å; F89-A93 PolarHBondContact O-N 3.28Å; A93-F96 HydrophobicContact CB-CD1 4.34Å; A93-F96 HydrophobicContact CB-CE1 3.61Å; A93-F96 HydrophobicContact CB-CE2 4.47Å; A93-F96 HydrophobicContact CB-CZ 3.69Å
94M92.2Very high85.8Confident44 Ų4435.3 Ų35.322%0.21720%0.196CC..SBendtrans-91.2-29.5179.7-57.8173.57500111.5I10 K11 V182 R185 M186I10-M94 HydrophobicContact CB-SD 4.48Å; I10-M94 HydrophobicContact CD1-CE 3.61Å; I10-M94 HydrophobicContact CD1-SD 3.85Å; I10-M94 HydrophobicContact CG2-SD 4.34Å; K11-M94 WeakPolarHBondContact O-CB 3.31Å; K11-M94 PolarHBondContact O-N 3.27Å; M94-V182 HydrophobicContact CB-CG1 3.91Å; M94-V182 HydrophobicContact CB-CG2 4.49Å; M94-V182 HydrophobicContact CE-CG1 3.94Å; M94-R185 PolarHBondContact O-NH2 3.2Å; M94-M186 HydrophobicContact CE-CE 3.77Å; M94-M186 HydrophobicContact CE-CG 4.1Å; M94-M186 HydrophobicContact CE-SD 3.32Å; M94-M186 WeakPolarHBondContact CE-SD 3.43Å
95G94.9Very high87.5Confident0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-149.4157.7177.100000112L12 L13 D128L12-G95 WeakPolarHBondContact CA-O 3.42Å; L13-G95 PolarHBondContact N-O 2.88Å; G95-D128 CarbonylContact C-O 3.57Å; G95-D128 VanDerWaalsContact CA-O 3.24Å; G95-D128 WeakPolarHBondContact CA-O 3.35Å
96F95.8Very high89.1Confident2 Ų234.5 Ų34.51%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-126130.7-173.2-55.9-90.7000112.2L13 L15 F90 A93 L118 A122 P127 D128 I129 V130L13-F96 HydrophobicContact CB-CD1 3.86Å; L13-F96 HydrophobicContact CB-CE1 4.14Å; L13-F96 HydrophobicContact CD2-CD1 3.91Å; L13-F96 HydrophobicContact CD2-CE1 3.68Å; L13-F96 HydrophobicContact CG-CD1 4.35Å; L13-F96 CarbonylContact O-C 3.58Å; L13-F96 WeakPolarHBondContact O-CA 3.32Å; L15-F96 HydrophobicContact CD1-CD1 3.61Å; L15-F96 HydrophobicContact CD1-CE1 4.22Å; L15-F96 HydrophobicContact CD1-CG 4.45Å; L15-F96 HydrophobicContact CG-CD1 4.42Å; F90-F96 HydrophobicContact CD1-CE1 4.37Å; F90-F96 HydrophobicContact CG-CE1 4.48Å; A93-F96 HydrophobicContact CB-CD1 4.34Å; A93-F96 HydrophobicContact CB-CE1 3.61Å; A93-F96 HydrophobicContact CB-CE2 4.47Å; A93-F96 HydrophobicContact CB-CZ 3.69Å; F96-L118 HydrophobicContact CB-CD1 4.41Å; F96-L118 HydrophobicContact CB-CD2 4.45Å; F96-L118 HydrophobicContact CD1-CD2 3.34Å; F96-L118 HydrophobicContact CD2-CD2 3.94Å; F96-L118 HydrophobicContact CE1-CD2 3.33Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; F96-L118 HydrophobicContact CG-CD1 4.42Å; F96-L118 HydrophobicContact CG-CD2 3.63Å; F96-L118 HydrophobicContact CZ-CD2 3.65Å; F96-A122 HydrophobicContact CE2-CB 4.43Å; F96-A122 HydrophobicContact CZ-CB 4.39Å; F96-P127 HydrophobicContact CD2-CB 3.73Å; F96-P127 HydrophobicContact CD2-CG 4.37Å; F96-P127 HydrophobicContact CE2-CB 3.45Å; F96-P127 VanDerWaalsContact CE2-CB 3.45Å; F96-P127 HydrophobicContact CE2-CG 4.19Å; F96-D128 PolarHBondContact N-O 3.45Å; F96-I129 HydrophobicContact CB-CG1 4.16Å; F96-I129 HydrophobicContact CD2-CG1 4.25Å; F96-I129 WeakPolarHBondContact O-CA 3.48Å; F96-V130 PolarHBondContact O-N 3.28Å
97L97.6Very high90.6Very high1 Ų134.7 Ų34.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-91.898.7165.3-66164.4000107.3L13 A14 L15 F25 L26 M99 V130 V132 V175 L178L13-L97 PolarHBondContact O-N 3.5Å; A14-L97 WeakPolarHBondContact CA-O 3.12Å; A14-L97 HydrophobicContact CB-CB 4.41Å; L15-L97 PolarHBondContact N-O 2.93Å; F25-L97 HydrophobicContact CE1-CD1 3.91Å; L26-L97 HydrophobicContact CD2-CD1 4.17Å; L97-M99 HydrophobicContact CB-CG 4.39Å; L97-M99 PolarHBondContact O-N 3.24Å; L97-V130 HydrophobicContact CD2-CB 4.45Å; L97-V132 HydrophobicContact CD2-CG2 4.25Å; L97-V175 HydrophobicContact CD1-CG2 4.2Å; L97-L178 HydrophobicContact CD2-CB 4.49Å; L97-L178 HydrophobicContact CD2-CD2 3.77Å; L97-L178 HydrophobicContact CG-CD2 3.68Å
98L96.9Very high91.9Very high1 Ų133.6 Ų33.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-88104.4179-178.754000109.2L15 V111 W114 M115 L118 I129 V130 L131 V132L15-L98 HydrophobicContact CB-CD1 4.34Å; L98-V111 HydrophobicContact CD2-CG1 3.73Å; L98-V111 HydrophobicContact CG-CG1 4.17Å; L98-W114 HydrophobicContact CD1-CB 3.55Å; L98-W114 HydrophobicContact CD1-CG 4.17Å; L98-M115 HydrophobicContact CD2-CB 4.49Å; L98-M115 HydrophobicContact CD2-SD 4.26Å; L98-L118 HydrophobicContact CD2-CD1 4.5Å; L98-I129 HydrophobicContact CB-CG2 3.86Å; L98-I129 HydrophobicContact CD2-CG2 4.44Å; L98-V130 PolarHBondContact N-O 2.95Å; L98-L131 HydrophobicContact CB-CD1 4.5Å; L98-L131 HydrophobicContact CD2-CD1 4.41Å; L98-L131 HydrophobicContact CG-CD1 4.18Å; L98-L131 WeakPolarHBondContact O-CA 3.4Å; L98-V132 PolarHBondContact O-N 3.37Å
99M97.9Very high93.1Very high1 Ų134.3 Ų34.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-105.6141.6-169-54.5-169.669.800112.7A14 L15 G16 V20 K22 F25 L97 V132 N134A14-M99 HydrophobicContact CB-SD 4.45Å; L15-M99 WeakPolarHBondContact O-CB 3.08Å; L15-M99 PolarHBondContact O-N 2.86Å; G16-M99 WeakPolarHBondContact CA-O 3.38Å; V20-M99 HydrophobicContact CG2-CB 4.04Å; K22-M99 HydrophobicContact CB-SD 4.17Å; K22-M99 HydrophobicContact CG-CB 4.36Å; K22-M99 HydrophobicContact CG-CG 4.44Å; K22-M99 HydrophobicContact CG-SD 3.82Å; F25-M99 HydrophobicContact CB-CE 3.62Å; F25-M99 HydrophobicContact CB-SD 4.24Å; F25-M99 HydrophobicContact CD1-CE 4.19Å; F25-M99 HydrophobicContact CD1-SD 4.3Å; F25-M99 HydrophobicContact CD2-CE 3.57Å; F25-M99 HydrophobicContact CE2-CE 4.27Å; F25-M99 HydrophobicContact CG-CE 3.53Å; F25-M99 HydrophobicContact CG-SD 4.17Å; L97-M99 HydrophobicContact CB-CG 4.39Å; L97-M99 PolarHBondContact O-N 3.24Å; M99-V132 CarbonylContact C-O 3.38Å; M99-V132 VanDerWaalsContact CA-O 3.31Å; M99-V132 WeakPolarHBondContact CA-O 3.35Å; M99-V132 HydrophobicContact CE-CB 4.49Å; M99-V132 HydrophobicContact CE-CG1 3.9Å; M99-V132 HydrophobicContact CG-CB 4.08Å; M99-V132 HydrophobicContact CG-CG1 4.49Å; M99-N134 HydrophobicContact CE-CB 3.99Å
100F98.4Very high94.2Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-134.7171.3165.470.7-86.1000110.3L102 F108 V111 L131 V132 N134 V144 A149 Y160F100-L102 HydrophobicContact CE2-CD2 3.9Å; F100-L102 HydrophobicContact CE2-CG 4.44Å; F100-L102 HydrophobicContact CZ-CD2 4.26Å; F100-F108 HydrophobicContact CD1-CD2 4.08Å; F100-F108 HydrophobicContact CD2-CB 3.78Å; F100-F108 AromaticContact CD2-CD2 3.86Å; F100-F108 HydrophobicContact CD2-CD2 3.86Å; F100-F108 HydrophobicContact CD2-CG 4.27Å; F100-F108 AromaticContact CE1-CD2 3.91Å; F100-F108 HydrophobicContact CE1-CD2 3.91Å; F100-F108 HydrophobicContact CE1-CE2 4.3Å; F100-F108 HydrophobicContact CE2-CB 4.19Å; F100-F108 AromaticContact CE2-CD2 3.7Å; F100-F108 HydrophobicContact CE2-CD2 3.7Å; F100-F108 HydrophobicContact CE2-CG 4.27Å; F100-F108 HydrophobicContact CG-CB 4.27Å; F100-F108 HydrophobicContact CG-CD2 4.05Å; F100-F108 AromaticContact CZ-CD2 3.72Å; F100-F108 HydrophobicContact CZ-CD2 3.72Å; F100-F108 HydrophobicContact CZ-CE2 4.16Å; F100-V111 HydrophobicContact CB-CG2 3.82Å; F100-V111 HydrophobicContact CD1-CG2 4Å; F100-V111 HydrophobicContact CG-CG2 4.16Å; F100-L131 HydrophobicContact CD1-CD1 3.96Å; F100-L131 HydrophobicContact CD1-CG 4.34Å; F100-L131 HydrophobicContact CE1-CD1 4.06Å; F100-L131 HydrophobicContact CE1-CD2 4.16Å; F100-L131 HydrophobicContact CE1-CG 3.95Å; F100-V132 WeakPolarHBondContact CD1-O 3.44Å; F100-V132 PolarHBondContact N-O 2.57Å; F100-N134 PolarHBondContact O-N 2.87Å; F100-V144 HydrophobicContact CD2-CG2 4.44Å; F100-V144 HydrophobicContact CE2-CB 4.15Å; F100-V144 HydrophobicContact CE2-CG1 3.83Å; F100-V144 HydrophobicContact CE2-CG2 4.19Å; F100-V144 HydrophobicContact CZ-CG1 4.38Å; F100-A149 HydrophobicContact CE1-CB 4.47Å; F100-A149 HydrophobicContact CZ-CB 3.8Å; F100-Y160 AromaticContact CE1-CE2 3.8Å; F100-Y160 HydrophobicContact CE1-CE2 3.8Å; F100-Y160 AromaticContact CZ-CE2 3.82Å; F100-Y160 HydrophobicContact CZ-CE2 3.82Å
101D98.3Very high95Very high11 Ų1133.1 Ų33.16%0.05916%0.163CC..EExtended strand (participates in β ladder)trans-102.5123.8179.4-175-5.2000110.5V20 T103 S104 S107 K135V20-D101 HydrophobicContact CB-CB 4.23Å; V20-D101 HydrophobicContact CG1-CB 4.11Å; D101-T103 PolarHBondContact O-N 3.18Å; D101-T103 PolarHBondContact OD1-N 2.92Å; D101-T103 PolarHBondContact OD1-OG1 3.33Å; D101-T103 VanDerWaalsContact OD1-OG1 3.07Å; D101-T103 PolarHBondContact OD2-OG1 3.29Å; D101-S104 PolarHBondContact O-N 2.98Å; D101-S107 PolarHBondContact N-OG 3.32Å; D101-S107 PolarHBondContact O-OG 3.34Å; D101-K135 VanDerWaalsContact OD1-CD 3.28Å; D101-K135 WeakPolarHBondContact OD1-CD 3.26Å; D101-K135 WeakPolarHBondContact OD2-CD 3.49Å; D101-K135 WeakPolarHBondContact OD2-CE 3.17Å; D101-K135 IonicContact OD2-NZ 2.72Å; D101-K135 PolarHBondContact OD2-NZ 2.85Å
102L98.7Very high95.8Very high3 Ų331.6 Ų31.62%0.01616%0.157CC..THydrogen-bonded Turntrans-63.2-20.9177.6-72.4166.6000112.7F100 G133 N134 A136 E143 V144 E162F100-L102 HydrophobicContact CE2-CD2 3.9Å; F100-L102 HydrophobicContact CE2-CG 4.44Å; F100-L102 HydrophobicContact CZ-CD2 4.26Å; L102-G133 WeakPolarHBondContact CD1-O 3.33Å; L102-N134 WeakPolarHBondContact CB-O 3.43Å; L102-N134 WeakPolarHBondContact CG-O 3.38Å; L102-N134 PolarHBondContact N-O 3.4Å; L102-A136 HydrophobicContact CD1-CB 3.71Å; L102-E143 PolarHBondContact O-N 3.08Å; L102-V144 HydrophobicContact CD2-CB 4.39Å; L102-V144 PolarHBondContact O-N 2.87Å; L102-V144 VanDerWaalsContact O-N 3.16Å; L102-E162 HydrophobicContact CD1-CB 4.15Å; L102-E162 HydrophobicContact CD1-CG 4.02Å; L102-E162 HydrophobicContact CD2-CG 4.25Å
103T98.4Very high96.2Very high22 Ų2230.9 Ų30.914%0.13515%0.153CC..THydrogen-bonded Turntrans-95.313.7176.179.80000113D101 K135 L138 Q141D101-T103 PolarHBondContact O-N 3.18Å; D101-T103 PolarHBondContact OD1-N 2.92Å; D101-T103 PolarHBondContact OD1-OG1 3.33Å; D101-T103 VanDerWaalsContact OD1-OG1 3.07Å; D101-T103 PolarHBondContact OD2-OG1 3.29Å; T103-K135 HydrophobicContact CG2-CB 4.45Å; T103-L138 HydrophobicContact CG2-CB 3.71Å; T103-L138 HydrophobicContact CG2-CD1 4.04Å; T103-Q141 VanDerWaalsContact CA-O 3.31Å; T103-Q141 WeakPolarHBondContact CA-O 3.5Å; T103-Q141 VanDerWaalsContact CB-O 3.25Å; T103-Q141 WeakPolarHBondContact CB-O 3.43Å; T103-Q141 HydrophobicContact CG2-CB 3.81Å
104S98.1Very high96.3Very high37 Ų3730.4 Ų30.426%0.25915%0.149SC..  trans-143102.4177.4-1780000111.6D101 Q106 S107 F108 E143D101-S104 PolarHBondContact O-N 2.98Å; S104-Q106 PolarHBondContact O-N 3.41Å; S104-S107 PolarHBondContact O-N 3.41Å; S104-S107 VanDerWaalsContact O-N 3.12Å; S104-S107 PolarHBondContact O-OG 3.19Å; S104-F108 PolarHBondContact O-N 2.84Å; S104-E143 WeakPolarHBondContact CA-OE2 3.25Å
105Q98.1Very high96.3Very high57 Ų5728.8 Ų28.827%0.26614%0.141SC..Hα-helixtrans-56.9-35.9176.4-174.962.428.500112.2S107 F108 L109 E143Q105-S107 PolarHBondContact O-N 3.32Å; Q105-F108 PolarHBondContact O-N 3.08Å; Q105-L109 HydrophobicContact CG-CD1 4.48Å; Q105-L109 WeakPolarHBondContact O-CG 3.13Å; Q105-L109 PolarHBondContact O-N 3.2Å; Q105-E143 HydrophobicContact CB-CB 4.32Å; Q105-E143 PolarHBondContact N-OE2 3.09Å; Q105-E143 PolarHBondContact OE1-O 3.06Å
106Q97.2Very high96Very high109 Ų10932.2 Ų32.251%0.50917%0.165SC..Hα-helixtrans-63.1-41.5179.4-175.158.354.500112.1S104 F108 L109 N110S104-Q106 PolarHBondContact O-N 3.41Å; Q106-F108 VanDerWaalsContact C-N 3.27Å; Q106-F108 PolarHBondContact O-N 3.3Å; Q106-L109 PolarHBondContact O-N 3.13Å; Q106-N110 PolarHBondContact NE2-ND2 3.35Å; Q106-N110 PolarHBondContact NE2-OD1 3.27Å; Q106-N110 PolarHBondContact O-N 2.91Å; Q106-N110 PolarHBondContact O-ND2 2.85Å
107S97.3Very high95.6Very high6 Ų634.1 Ų34.14%0.04217%0.174CC..Hα-helixtrans-62.6-36.7177.877.70000111.8D101 S104 Q105 N110 V111D101-S107 PolarHBondContact N-OG 3.32Å; D101-S107 PolarHBondContact O-OG 3.34Å; S104-S107 PolarHBondContact O-N 3.41Å; S104-S107 VanDerWaalsContact O-N 3.12Å; S104-S107 PolarHBondContact O-OG 3.19Å; Q105-S107 PolarHBondContact O-N 3.32Å; S107-N110 PolarHBondContact O-N 2.9Å; S107-V111 PolarHBondContact O-N 2.91Å
108F98.4Very high95.1Very high15 Ų1534 Ų347%0.06617%0.174CC..Hα-helixtrans-68.7-42.7175.4177.3-111.4000112.4F100 S104 Q105 Q106 N110 V111 V144 Q148 A149 L152F100-F108 HydrophobicContact CD1-CD2 4.08Å; F100-F108 HydrophobicContact CD2-CB 3.78Å; F100-F108 AromaticContact CD2-CD2 3.86Å; F100-F108 HydrophobicContact CD2-CD2 3.86Å; F100-F108 HydrophobicContact CD2-CG 4.27Å; F100-F108 AromaticContact CE1-CD2 3.91Å; F100-F108 HydrophobicContact CE1-CD2 3.91Å; F100-F108 HydrophobicContact CE1-CE2 4.3Å; F100-F108 HydrophobicContact CE2-CB 4.19Å; F100-F108 AromaticContact CE2-CD2 3.7Å; F100-F108 HydrophobicContact CE2-CD2 3.7Å; F100-F108 HydrophobicContact CE2-CG 4.27Å; F100-F108 HydrophobicContact CG-CB 4.27Å; F100-F108 HydrophobicContact CG-CD2 4.05Å; F100-F108 AromaticContact CZ-CD2 3.72Å; F100-F108 HydrophobicContact CZ-CD2 3.72Å; F100-F108 HydrophobicContact CZ-CE2 4.16Å; S104-F108 PolarHBondContact O-N 2.84Å; Q105-F108 PolarHBondContact O-N 3.08Å; Q106-F108 VanDerWaalsContact C-N 3.27Å; Q106-F108 PolarHBondContact O-N 3.3Å; F108-N110 PolarHBondContact O-N 3.23Å; F108-V111 HydrophobicContact CD2-CG2 4.42Å; F108-V111 WeakPolarHBondContact O-CB 3.41Å; F108-V111 VanDerWaalsContact O-CG2 3.27Å; F108-V111 WeakPolarHBondContact O-CG2 3.34Å; F108-V111 PolarHBondContact O-N 2.97Å; F108-V111 VanDerWaalsContact O-N 3.13Å; F108-V144 HydrophobicContact CB-CG1 4.2Å; F108-V144 HydrophobicContact CB-CG2 3.72Å; F108-V144 HydrophobicContact CD1-CG1 3.94Å; F108-V144 HydrophobicContact CD2-CG1 4.01Å; F108-V144 HydrophobicContact CE1-CG1 4.31Å; F108-V144 HydrophobicContact CE2-CG1 4.38Å; F108-V144 HydrophobicContact CG-CG1 3.77Å; F108-V144 HydrophobicContact CG-CG2 4.2Å; F108-Q148 HydrophobicContact CE1-CB 4.43Å; F108-A149 HydrophobicContact CE2-CB 3.82Å; F108-A149 HydrophobicContact CZ-CB 4.24Å; F108-L152 HydrophobicContact CD2-CD2 4.36Å; F108-L152 HydrophobicContact CE2-CB 4.3Å; F108-L152 HydrophobicContact CE2-CD2 3.5Å; F108-L152 HydrophobicContact CZ-CB 3.97Å; F108-L152 HydrophobicContact CZ-CD2 3.62Å; F108-L152 HydrophobicContact CZ-CG 4.41Å
109L96.8Very high94.6Very high79 Ų7938.9 Ų38.941%0.41420%0.196SC..Hα-helixtrans-60.9-36.7175.3-68.1176.2000111.9Q105 Q106 V111 R112Q105-L109 HydrophobicContact CG-CD1 4.48Å; Q105-L109 WeakPolarHBondContact O-CG 3.13Å; Q105-L109 PolarHBondContact O-N 3.2Å; Q106-L109 PolarHBondContact O-N 3.13Å; L109-V111 PolarHBondContact O-N 2.89Å; L109-R112 PolarHBondContact O-N 2.76Å
110N95.5Very high93.9Very high29 Ų2942.4 Ų42.416%0.15523%0.226CC..Hα-helixtrans-69.9-14.7178.5-74.9-21.3000113.9D17 Q106 S107 F108 R112 N113 W114D17-N110 WeakPolarHBondContact OD2-CB 3.44Å; D17-N110 PolarHBondContact OD2-ND2 3.07Å; Q106-N110 PolarHBondContact NE2-ND2 3.35Å; Q106-N110 PolarHBondContact NE2-OD1 3.27Å; Q106-N110 PolarHBondContact O-N 2.91Å; Q106-N110 PolarHBondContact O-ND2 2.85Å; S107-N110 PolarHBondContact O-N 2.9Å; F108-N110 PolarHBondContact O-N 3.23Å; N110-R112 PolarHBondContact O-N 2.96Å; N110-N113 WeakPolarHBondContact O-CB 3.28Å; N110-N113 PolarHBondContact O-N 3.41Å; N110-N113 PolarHBondContact OD1-ND2 3.39Å; N110-W114 VanDerWaalsContact O-CD1 3.23Å; N110-W114 PolarHBondContact O-N 2.68Å; N110-W114 VanDerWaalsContact O-N 3.07Å
111V95.5Very high93.2Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-52.8-38.8173.7172.10000111.3L98 F100 S107 F108 L109 N113 W114 M115 L131 L152L98-V111 HydrophobicContact CD2-CG1 3.73Å; L98-V111 HydrophobicContact CG-CG1 4.17Å; F100-V111 HydrophobicContact CB-CG2 3.82Å; F100-V111 HydrophobicContact CD1-CG2 4Å; F100-V111 HydrophobicContact CG-CG2 4.16Å; S107-V111 PolarHBondContact O-N 2.91Å; F108-V111 HydrophobicContact CD2-CG2 4.42Å; F108-V111 WeakPolarHBondContact O-CB 3.41Å; F108-V111 VanDerWaalsContact O-CG2 3.27Å; F108-V111 WeakPolarHBondContact O-CG2 3.34Å; F108-V111 PolarHBondContact O-N 2.97Å; F108-V111 VanDerWaalsContact O-N 3.13Å; L109-V111 PolarHBondContact O-N 2.89Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 2.85Å; V111-W114 PolarHBondContact O-N 3.42Å; V111-M115 WeakPolarHBondContact O-CB 3.28Å; V111-M115 PolarHBondContact O-N 3.31Å; V111-L131 HydrophobicContact CG1-CD1 3.7Å; V111-L131 HydrophobicContact CG2-CD1 4.29Å; V111-L152 HydrophobicContact CB-CD2 4.25Å; V111-L152 HydrophobicContact CG1-CD2 3.91Å
112R94Very high92.3Very high135 Ų13545 Ų4551%0.50924%0.242SC..Hα-helixtrans-62.8-38178.1-63.4-177.3-179.7167.92112.5L109 N110 M115 S116 L152L109-R112 PolarHBondContact O-N 2.76Å; N110-R112 PolarHBondContact O-N 2.96Å; R112-M115 PolarHBondContact O-N 3.33Å; R112-S116 PolarHBondContact O-N 3.42Å; R112-L152 HydrophobicContact CG-CD1 4.41Å
113N91.9Very high91.1Very high84 Ų8454.4 Ų54.445%0.44928%0.278SS..Hα-helixtrans-70.1-38.5177.9-62.2-25.4000111N110 V111 Q117N110-N113 WeakPolarHBondContact O-CB 3.28Å; N110-N113 PolarHBondContact O-N 3.41Å; N110-N113 PolarHBondContact OD1-ND2 3.39Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 2.85Å; N113-Q117 WeakPolarHBondContact O-CG 3.31Å; N113-Q117 PolarHBondContact O-N 3.03Å; N113-Q117 VanDerWaalsContact O-N 3.11Å; N113-Q117 PolarHBondContact O-NE2 3.45Å
114W91.2Very high89.8Confident3 Ų355.4 Ų55.41%0.01129%0.286CS..Hα-helixtrans-66.4-42.4173.6-73.8112.2000112D17 R83 L98 N110 V111 S116 Q117 L118D17-W114 PolarHBondContact OD1-NE1 3.42Å; R83-W114 HydrophobicContact CG-CH2 4.47Å; L98-W114 HydrophobicContact CD1-CB 3.55Å; L98-W114 HydrophobicContact CD1-CG 4.17Å; N110-W114 VanDerWaalsContact O-CD1 3.23Å; N110-W114 PolarHBondContact O-N 2.68Å; N110-W114 VanDerWaalsContact O-N 3.07Å; V111-W114 PolarHBondContact O-N 3.42Å; W114-S116 PolarHBondContact O-N 2.91Å; W114-Q117 PolarHBondContact O-N 3.05Å; W114-L118 PolarHBondContact O-N 3.13Å
115M91.3Very high88.3Confident10 Ų1062 Ų625%0.04931%0.313CS..Hα-helixtrans-59.9-45.6176.1-168.767.6178.700111.7L98 V111 R112 Q117 L118 Q119 I129 Y156L98-M115 HydrophobicContact CD2-CB 4.49Å; L98-M115 HydrophobicContact CD2-SD 4.26Å; V111-M115 WeakPolarHBondContact O-CB 3.28Å; V111-M115 PolarHBondContact O-N 3.31Å; R112-M115 PolarHBondContact O-N 3.33Å; M115-Q117 PolarHBondContact O-N 3.27Å; M115-L118 WeakPolarHBondContact O-CB 3.43Å; M115-L118 PolarHBondContact O-N 3.44Å; M115-Q119 WeakPolarHBondContact O-CG 3.36Å; M115-Q119 PolarHBondContact O-N 3.16Å; M115-I129 HydrophobicContact CE-CD1 3.61Å; M115-I129 HydrophobicContact SD-CD1 3.63Å; M115-Y156 HydrophobicContact CE-CD1 3.87Å; M115-Y156 HydrophobicContact CE-CE1 4.46Å; M115-Y156 HydrophobicContact CE-CG 4.03Å; M115-Y156 HydrophobicContact CG-CD1 4.1Å; M115-Y156 HydrophobicContact CG-CE1 3.77Å; M115-Y156 HydrophobicContact CG-CE2 4.26Å; M115-Y156 HydrophobicContact CG-CG 4.49Å
116S89.6Confident87.2Confident72 Ų7265.7 Ų65.750%0.50333%0.334SS..Hα-helixtrans-63-40.6176.6176.20000112.3R112 W114 L118 Q119 A120R112-S116 PolarHBondContact O-N 3.42Å; W114-S116 PolarHBondContact O-N 2.91Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-Q119 PolarHBondContact O-N 2.91Å; S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 2.72Å
117Q85.9Confident86.6Confident41 Ų4161.2 Ų61.219%0.19231%0.314CS..Hα-helixtrans-64.8-37.9175.2-76.917079.900112.4F90 N113 W114 M115 A120 N121F90-Q117 HydrophobicContact CE2-CB 4.29Å; N113-Q117 WeakPolarHBondContact O-CG 3.31Å; N113-Q117 PolarHBondContact O-N 3.03Å; N113-Q117 VanDerWaalsContact O-N 3.11Å; N113-Q117 PolarHBondContact O-NE2 3.45Å; W114-Q117 PolarHBondContact O-N 3.05Å; M115-Q117 PolarHBondContact O-N 3.27Å; Q117-A120 PolarHBondContact O-N 2.84Å; Q117-N121 WeakPolarHBondContact O-CB 3.46Å; Q117-N121 PolarHBondContact O-N 3.39Å; Q117-N121 PolarHBondContact O-ND2 3.19Å
118L87.4Confident86.5Confident0 Ų062.1 Ų62.10%032%0.319CS..Hα-helixtrans-62.4-52.5174.3-84.2167.2000111.1L15 F90 F96 L98 W114 M115 S116 A120 N121 A122 I129L15-L118 HydrophobicContact CD1-CD1 3.88Å; L15-L118 HydrophobicContact CD1-CD2 3.51Å; L15-L118 HydrophobicContact CD1-CG 3.82Å; F90-L118 HydrophobicContact CD2-CD2 4.11Å; F90-L118 HydrophobicContact CE2-CD2 4.2Å; F90-L118 HydrophobicContact CE2-CG 4.41Å; F90-L118 HydrophobicContact CG-CD2 4.45Å; F96-L118 HydrophobicContact CB-CD1 4.41Å; F96-L118 HydrophobicContact CB-CD2 4.45Å; F96-L118 HydrophobicContact CD1-CD2 3.34Å; F96-L118 HydrophobicContact CD2-CD2 3.94Å; F96-L118 HydrophobicContact CE1-CD2 3.33Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; F96-L118 HydrophobicContact CG-CD1 4.42Å; F96-L118 HydrophobicContact CG-CD2 3.63Å; F96-L118 HydrophobicContact CZ-CD2 3.65Å; L98-L118 HydrophobicContact CD2-CD1 4.5Å; W114-L118 PolarHBondContact O-N 3.13Å; M115-L118 WeakPolarHBondContact O-CB 3.43Å; M115-L118 PolarHBondContact O-N 3.44Å; S116-L118 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.79Å; L118-N121 PolarHBondContact O-N 3.48Å; L118-N121 VanDerWaalsContact O-N 3.15Å; L118-A122 WeakPolarHBondContact O-CB 3.2Å; L118-A122 PolarHBondContact O-N 2.85Å; L118-I129 HydrophobicContact CD1-CD1 4.33Å
119Q85.7Confident86.4Confident103 Ų10361.7 Ų61.748%0.48132%0.317SS..Hα-helixtrans-59.7-31.3179.6-71174.6-33.200112.9M115 S116M115-Q119 WeakPolarHBondContact O-CG 3.36Å; M115-Q119 PolarHBondContact O-N 3.16Å; S116-Q119 PolarHBondContact O-N 2.91Å
120A84.9Confident86.5Confident75 Ų7557.9 Ų57.962%0.6230%0.297SS*.Hα-helixtrans-80.5-22.4179.300000114.7S116 Q117 L118S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 2.72Å; Q117-A120 PolarHBondContact O-N 2.84Å; L118-A120 PolarHBondContact O-N 2.79Å
121N82.6Confident86.7Confident49 Ų4956.5 Ų56.526%0.26229%0.29SS..Hα-helixtrans-129.5-11.1-168.3-61.4-77.2000114.8T87 F90 R91 Q117 L118T87-N121 HydrophobicContact CG2-CB 4.22Å; F90-N121 HydrophobicContact CB-CB 4.35Å; F90-N121 HydrophobicContact CD2-CB 3.87Å; R91-N121 WeakPolarHBondContact CG-O 3.43Å; Q117-N121 WeakPolarHBondContact O-CB 3.46Å; Q117-N121 PolarHBondContact O-N 3.39Å; Q117-N121 PolarHBondContact O-ND2 3.19Å; L118-N121 PolarHBondContact O-N 3.48Å; L118-N121 VanDerWaalsContact O-N 3.15Å
122A79.2Confident86.8Confident17 Ų1756.5 Ų56.514%0.1429%0.29CS..SBendtrans-64.9155.1174.700000111F96 L118 C124 P127F96-A122 HydrophobicContact CE2-CB 4.43Å; F96-A122 HydrophobicContact CZ-CB 4.39Å; L118-A122 WeakPolarHBondContact O-CB 3.2Å; L118-A122 PolarHBondContact O-N 2.85Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 3.32Å; A122-P127 HydrophobicContact CB-CB 4.19Å; A122-P127 HydrophobicContact CB-CG 3.93Å
123Y73.9Confident87Confident199 Ų19950.1 Ų50.178%0.7827%0.266SS*.SBendtrans-64-32.3-178.8174.3-98.9000113.5R91R91-Y123 WeakPolarHBondContact O-CB 3.42Å
124C70.9Confident87.4Confident44 Ų4446.3 Ų46.330%0.29725%0.245SC..SBendtrans-119.9152.5-179.159.80000111.2A122 N126 P127A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 3.32Å; C124-N126 PolarHBondContact O-N 2.88Å; C124-N126 VanDerWaalsContact SG-C 3.56Å; C124-N126 PolarHBondContact SG-O 2.92Å; C124-P127 WeakPolarHBondContact O-CD 3.31Å; C124-P127 WeakPolarHBondContact SG-CA 3.27Å
125E67.8Low87.7Confident176 Ų17648.7 Ų48.782%0.82226%0.256SS*.SBendtrans-57.9-31.9178.5-66.3-177.516700112.6
126N74.3Confident88Confident133 Ų13350 Ų5071%0.71127%0.269SS*.SBendtrans-127.783.5179.6-68.9-25.9000111.1C124C124-N126 PolarHBondContact O-N 2.88Å; C124-N126 VanDerWaalsContact SG-C 3.56Å; C124-N126 PolarHBondContact SG-O 2.92Å
127P85.3Confident88.4Confident15 Ų1549.9 Ų49.910%0.09726%0.262CS..  trans-70.5147.6173.628.7-32.1000111.6F96 A122 C124 I129F96-P127 HydrophobicContact CD2-CB 3.73Å; F96-P127 HydrophobicContact CD2-CG 4.37Å; F96-P127 HydrophobicContact CE2-CB 3.45Å; F96-P127 VanDerWaalsContact CE2-CB 3.45Å; F96-P127 HydrophobicContact CE2-CG 4.19Å; A122-P127 HydrophobicContact CB-CB 4.19Å; A122-P127 HydrophobicContact CB-CG 3.93Å; C124-P127 WeakPolarHBondContact O-CD 3.31Å; C124-P127 WeakPolarHBondContact SG-CA 3.27Å; P127-I129 HydrophobicContact CG-CD1 3.92Å; P127-I129 HydrophobicContact CG-CG1 4.25Å; P127-I129 WeakPolarHBondContact O-CG1 3.44Å; P127-I129 PolarHBondContact O-N 3.36Å
128D95Very high88.9Confident26 Ų2650.7 Ų50.714%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-69.9122173-64.3-52.1000109.2G95 F96 L178 L181 V182 R185G95-D128 CarbonylContact C-O 3.57Å; G95-D128 VanDerWaalsContact CA-O 3.24Å; G95-D128 WeakPolarHBondContact CA-O 3.35Å; F96-D128 PolarHBondContact N-O 3.45Å; D128-L178 HydrophobicContact CB-CD1 4.02Å; D128-L178 WeakPolarHBondContact O-CD1 3.39Å; D128-L181 HydrophobicContact CB-CB 4.05Å; D128-V182 HydrophobicContact CB-CG2 3.9Å; D128-V182 WeakPolarHBondContact OD2-CA 3.37Å; D128-R185 WeakPolarHBondContact OD2-CD 3.46Å; D128-R185 IonicContact OD2-CZ 3.55Å; D128-R185 IonicContact OD2-NE 3.57Å; D128-R185 PolarHBondContact OD2-NE 2.89Å; D128-R185 VanDerWaalsContact OD2-NE 3.09Å; D128-R185 IonicContact OD2-NH1 3.92Å; D128-R185 PolarHBondContact OD2-NH1 3.26Å; D128-R185 IonicContact OD2-NH2 3.68Å; D128-R185 PolarHBondContact OD2-NH2 2.77Å
129I96.7Very high89.4Confident5 Ų554 Ų543%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-131139.5-175.9-60.6159.7000108.6F96 L98 M115 L118 P127 I158 P159F96-I129 HydrophobicContact CB-CG1 4.16Å; F96-I129 HydrophobicContact CD2-CG1 4.25Å; F96-I129 WeakPolarHBondContact O-CA 3.48Å; L98-I129 HydrophobicContact CB-CG2 3.86Å; L98-I129 HydrophobicContact CD2-CG2 4.44Å; M115-I129 HydrophobicContact CE-CD1 3.61Å; M115-I129 HydrophobicContact SD-CD1 3.63Å; L118-I129 HydrophobicContact CD1-CD1 4.33Å; P127-I129 HydrophobicContact CG-CD1 3.92Å; P127-I129 HydrophobicContact CG-CG1 4.25Å; P127-I129 WeakPolarHBondContact O-CG1 3.44Å; P127-I129 PolarHBondContact O-N 3.36Å; I129-I158 HydrophobicContact CB-CG2 4.11Å; I129-I158 HydrophobicContact CG2-CD1 4.04Å; I129-P159 WeakPolarHBondContact O-CD 3.37Å
130V98.5Very high89.9Confident0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-118127.4164.8171.50000108.4F96 L97 L98 V132 P159 F161 A174 T177 L178 L181F96-V130 PolarHBondContact O-N 3.28Å; L97-V130 HydrophobicContact CD2-CB 4.45Å; L98-V130 PolarHBondContact N-O 2.95Å; V130-V132 HydrophobicContact CG1-CG2 4Å; V130-P159 HydrophobicContact CG2-CB 4.29Å; V130-P159 HydrophobicContact CG2-CG 4.26Å; V130-F161 HydrophobicContact CG1-CD2 3.53Å; V130-F161 HydrophobicContact CG1-CE2 3.8Å; V130-A174 HydrophobicContact CG1-CB 4.41Å; V130-T177 HydrophobicContact CG2-CG2 4.26Å; V130-L178 HydrophobicContact CB-CB 4.41Å; V130-L178 HydrophobicContact CG2-CB 3.75Å; V130-L178 HydrophobicContact CG2-CD1 4.12Å; V130-L178 HydrophobicContact CG2-CG 4.47Å; V130-L181 HydrophobicContact CG2-CD1 4.26Å
131L98.7Very high90.5Very high0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-81.9131.2173.1-174.167.8000109.6L98 F100 V111 A153 I158 P159 Y160 F161L98-L131 HydrophobicContact CB-CD1 4.5Å; L98-L131 HydrophobicContact CD2-CD1 4.41Å; L98-L131 HydrophobicContact CG-CD1 4.18Å; L98-L131 WeakPolarHBondContact O-CA 3.4Å; F100-L131 HydrophobicContact CD1-CD1 3.96Å; F100-L131 HydrophobicContact CD1-CG 4.34Å; F100-L131 HydrophobicContact CE1-CD1 4.06Å; F100-L131 HydrophobicContact CE1-CD2 4.16Å; F100-L131 HydrophobicContact CE1-CG 3.95Å; V111-L131 HydrophobicContact CG1-CD1 3.7Å; V111-L131 HydrophobicContact CG2-CD1 4.29Å; L131-A153 HydrophobicContact CD2-CB 3.93Å; L131-I158 HydrophobicContact CB-CD1 3.84Å; L131-I158 HydrophobicContact CB-CG1 4.28Å; L131-P159 PolarHBondContact N-O 2.81Å; L131-Y160 HydrophobicContact CB-CD2 4.1Å; L131-Y160 HydrophobicContact CD2-CD2 3.84Å; L131-Y160 HydrophobicContact CD2-CE2 4.38Å; L131-Y160 HydrophobicContact CD2-CG 4.46Å; L131-Y160 HydrophobicContact CG-CD2 3.86Å; L131-Y160 HydrophobicContact CG-CE2 4.42Å; L131-Y160 WeakPolarHBondContact O-CA 3.49Å; L131-Y160 WeakPolarHBondContact O-CD2 3.39Å; L131-F161 PolarHBondContact O-N 2.83Å
132V98.8Very high91.3Very high0 Ų061.4 Ų61.40%032%0.316CS..EExtended strand (participates in β ladder)trans-128.6116.2-176.6-178.90000110.3F25 L97 L98 M99 F100 V130 F161 T163 A174F25-V132 HydrophobicContact CE2-CG1 4.13Å; L97-V132 HydrophobicContact CD2-CG2 4.25Å; L98-V132 PolarHBondContact O-N 3.37Å; M99-V132 CarbonylContact C-O 3.38Å; M99-V132 VanDerWaalsContact CA-O 3.31Å; M99-V132 WeakPolarHBondContact CA-O 3.35Å; M99-V132 HydrophobicContact CE-CB 4.49Å; M99-V132 HydrophobicContact CE-CG1 3.9Å; M99-V132 HydrophobicContact CG-CB 4.08Å; M99-V132 HydrophobicContact CG-CG1 4.49Å; F100-V132 WeakPolarHBondContact CD1-O 3.44Å; F100-V132 PolarHBondContact N-O 2.57Å; V130-V132 HydrophobicContact CG1-CG2 4Å; V132-F161 WeakPolarHBondContact CA-O 3.39Å; V132-T163 HydrophobicContact CG1-CG2 3.65Å; V132-T163 WeakPolarHBondContact CG1-OG1 3.25Å; V132-A174 HydrophobicContact CG2-CB 4.23Å
133G98.7Very high92.2Very high0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-91.6107167.200000109.2L102 F161 E162 T163L102-G133 WeakPolarHBondContact CD1-O 3.33Å; G133-F161 PolarHBondContact N-O 2.83Å; G133-E162 CarbonylContact O-C 3.53Å; G133-E162 VanDerWaalsContact O-CA 3.3Å; G133-E162 WeakPolarHBondContact O-CA 3.35Å; G133-T163 PolarHBondContact O-N 2.79Å
134N98.5Very high93.4Very high4 Ų456.5 Ų56.52%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-92.2169.4-176.5-168.628000111.9V20 M99 F100 L102 T163 A165V20-N134 PolarHBondContact O-ND2 3.26Å; M99-N134 HydrophobicContact CE-CB 3.99Å; F100-N134 PolarHBondContact O-N 2.87Å; L102-N134 WeakPolarHBondContact CB-O 3.43Å; L102-N134 WeakPolarHBondContact CG-O 3.38Å; L102-N134 PolarHBondContact N-O 3.4Å; N134-T163 CarbonylContact C-O 3.5Å; N134-T163 WeakPolarHBondContact CA-O 3.49Å; N134-T163 PolarHBondContact OD1-O 3.46Å; N134-T163 PolarHBondContact OD1-OG1 2.84Å; N134-A165 PolarHBondContact OD1-N 3.33Å
135K98.1Very high94.6Very high54 Ų5460.2 Ų60.224%0.23531%0.311CS..  trans6834-178.8-45.3-168-164.9166.70114.3G19 D101 T103 D137 L138 T163G19-K135 WeakPolarHBondContact O-CE 3.3Å; G19-K135 PolarHBondContact O-NZ 3.5Å; D101-K135 VanDerWaalsContact OD1-CD 3.28Å; D101-K135 WeakPolarHBondContact OD1-CD 3.26Å; D101-K135 WeakPolarHBondContact OD2-CD 3.49Å; D101-K135 WeakPolarHBondContact OD2-CE 3.17Å; D101-K135 IonicContact OD2-NZ 2.72Å; D101-K135 PolarHBondContact OD2-NZ 2.85Å; T103-K135 HydrophobicContact CG2-CB 4.45Å; K135-D137 PolarHBondContact O-N 2.79Å; K135-D137 VanDerWaalsContact O-N 3.09Å; K135-L138 HydrophobicContact CB-CD1 4.26Å; K135-L138 HydrophobicContact CD-CD1 4.27Å; K135-L138 PolarHBondContact O-N 2.99Å; K135-T163 PolarHBondContact N-O 3.11Å
136A98.2Very high96Very high38 Ų3857 Ų5731%0.31430%0.296SS..THydrogen-bonded Turntrans-60.7-17.8176.300000113.7L102 L138 E162 T163L102-A136 HydrophobicContact CD1-CB 3.71Å; A136-L138 PolarHBondContact O-N 3.43Å; A136-E162 HydrophobicContact CB-CB 4.32Å; A136-T163 WeakPolarHBondContact CB-O 3.11Å; A136-T163 PolarHBondContact N-O 2.87Å
137D97.9Very high97.2Very high69 Ų6957.4 Ų57.437%0.36929%0.291SS..THydrogen-bonded Turntrans-67.5-18.7173.353.8-72000113.9K135 A139 S164 T167K135-D137 PolarHBondContact O-N 2.79Å; K135-D137 VanDerWaalsContact O-N 3.09Å; D137-A139 PolarHBondContact O-N 3.41Å; D137-S164 WeakPolarHBondContact CB-OG 3.24Å; D137-S164 VanDerWaalsContact OD1-CB 3.22Å; D137-S164 WeakPolarHBondContact OD1-CB 3.48Å; D137-S164 PolarHBondContact OD1-OG 3.34Å; D137-T167 HydrophobicContact CB-CG2 4.02Å
138L96.8Very high97.8Very high58 Ų5860.4 Ų60.430%0.30430%0.304SS..  trans-96.353.9-179.9-58.2-179.7000111.7T103 K135 A136 D140 Q141 R142T103-L138 HydrophobicContact CG2-CB 3.71Å; T103-L138 HydrophobicContact CG2-CD1 4.04Å; K135-L138 HydrophobicContact CB-CD1 4.26Å; K135-L138 HydrophobicContact CD-CD1 4.27Å; K135-L138 PolarHBondContact O-N 2.99Å; A136-L138 PolarHBondContact O-N 3.43Å; L138-D140 PolarHBondContact O-N 2.94Å; L138-Q141 HydrophobicContact CB-CB 4.33Å; L138-Q141 PolarHBondContact O-N 3.4Å; L138-R142 PolarHBondContact O-N 2.97Å
139A96.2Very high97.9Very high69 Ų6959.1 Ų59.157%0.5730%0.297SS*.G310 helixtrans-55.3-36-174.600000113.7D137 Q141 R142D137-A139 PolarHBondContact O-N 3.41Å; A139-Q141 PolarHBondContact O-N 3.17Å; A139-R142 WeakPolarHBondContact O-CB 3.41Å; A139-R142 PolarHBondContact O-N 3.14Å
140D97.4Very high98Very high170 Ų17064.1 Ų64.191%0.90932%0.318SS*.G310 helixtrans-71.2-18.5179.5-60.6-37.7000113.6L138L138-D140 PolarHBondContact O-N 2.94Å
141Q97.8Very high98Very high118 Ų11869.1 Ų69.155%0.55134%0.342SS*.G310 helixtrans-104.29.7178.7-60.1177.538.500111.8T103 L138 A139 E143T103-Q141 VanDerWaalsContact CA-O 3.31Å; T103-Q141 WeakPolarHBondContact CA-O 3.5Å; T103-Q141 VanDerWaalsContact CB-O 3.25Å; T103-Q141 WeakPolarHBondContact CB-O 3.43Å; T103-Q141 HydrophobicContact CG2-CB 3.81Å; L138-Q141 HydrophobicContact CB-CB 4.33Å; L138-Q141 PolarHBondContact O-N 3.4Å; A139-Q141 PolarHBondContact O-N 3.17Å; Q141-E143 PolarHBondContact O-N 3.2Å
142R98.4Very high97.9Very high94 Ų9469.6 Ų69.636%0.35535%0.345SS..  trans-65.9124.4-175.8-176.1176.4-176.6140.116.1111L138 A139 V144 E146 E162L138-R142 PolarHBondContact O-N 2.97Å; A139-R142 WeakPolarHBondContact O-CB 3.41Å; A139-R142 PolarHBondContact O-N 3.14Å; R142-V144 PolarHBondContact NE-O 3.46Å; R142-V144 PolarHBondContact NH2-O 2.86Å; R142-E146 VanDerWaalsContact NH2-CA 3.35Å; R142-E162 IonicContact CZ-OE1 3.51Å; R142-E162 IonicContact CZ-OE2 3.47Å; R142-E162 IonicContact NH1-OE1 3.58Å; R142-E162 IonicContact NH1-OE2 2.88Å; R142-E162 PolarHBondContact NH1-OE2 3.47Å; R142-E162 VanDerWaalsContact NH2-CD 3.33Å; R142-E162 IonicContact NH2-OE1 3.68Å; R142-E162 PolarHBondContact NH2-OE1 2.8Å; R142-E162 IonicContact NH2-OE2 3.75Å; R142-E162 PolarHBondContact NH2-OE2 2.76Å
143E98.3Very high97.9Very high114 Ų11469.7 Ų69.753%0.53335%0.345SS..  trans-109.2-26.3175.9-62.6-171.7171.900112.4L102 S104 Q105 Q141L102-E143 PolarHBondContact O-N 3.08Å; S104-E143 WeakPolarHBondContact CA-OE2 3.25Å; Q105-E143 HydrophobicContact CB-CB 4.32Å; Q105-E143 PolarHBondContact N-OE2 3.09Å; Q105-E143 PolarHBondContact OE1-O 3.06Å; Q141-E143 PolarHBondContact O-N 3.2Å
144V98.4Very high97.8Very high0 Ų074.7 Ų74.70%037%0.372CS..SBendtrans-101.4119.5-176.1-174.30000110.8F100 L102 F108 R142 A149F100-V144 HydrophobicContact CD2-CG2 4.44Å; F100-V144 HydrophobicContact CE2-CB 4.15Å; F100-V144 HydrophobicContact CE2-CG1 3.83Å; F100-V144 HydrophobicContact CE2-CG2 4.19Å; F100-V144 HydrophobicContact CZ-CG1 4.38Å; L102-V144 HydrophobicContact CD2-CB 4.39Å; L102-V144 PolarHBondContact O-N 2.87Å; L102-V144 VanDerWaalsContact O-N 3.16Å; F108-V144 HydrophobicContact CB-CG1 4.2Å; F108-V144 HydrophobicContact CB-CG2 3.72Å; F108-V144 HydrophobicContact CD1-CG1 3.94Å; F108-V144 HydrophobicContact CD2-CG1 4.01Å; F108-V144 HydrophobicContact CE1-CG1 4.31Å; F108-V144 HydrophobicContact CE2-CG1 4.38Å; F108-V144 HydrophobicContact CG-CG1 3.77Å; F108-V144 HydrophobicContact CG-CG2 4.2Å; R142-V144 PolarHBondContact NE-O 3.46Å; R142-V144 PolarHBondContact NH2-O 2.86Å; V144-A149 HydrophobicContact CG1-CB 4.32Å
145Q97.8Very high97.8Very high121 Ų12182 Ų8257%0.56540%0.403SS*.  trans-74.4139.1177.4-61-176.617.800111.6K147 Q148 A149Q145-K147 PolarHBondContact O-N 3.33Å; Q145-Q148 HydrophobicContact CB-CG 4.18Å; Q145-Q148 PolarHBondContact O-N 2.85Å; Q145-A149 PolarHBondContact O-N 3.07Å
146E97.3Very high97.6Very high109 Ų10982.7 Ų82.751%0.50941%0.405SS..Hα-helixtrans-54.4-44.3-179.8-177.8-176.8165.800111R142 Q148 A149 K150 Y160 E162R142-E146 VanDerWaalsContact NH2-CA 3.35Å; E146-Q148 VanDerWaalsContact C-N 3.31Å; E146-Q148 PolarHBondContact O-N 3.01Å; E146-A149 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact O-CB 3.35Å; E146-K150 PolarHBondContact O-N 2.74Å; E146-Y160 HydrophobicContact CG-CE1 4.41Å; E146-E162 WeakPolarHBondContact CA-OE1 3.34Å; E146-E162 VanDerWaalsContact CB-OE1 3.31Å; E146-E162 WeakPolarHBondContact CB-OE1 2.89Å; E146-E162 WeakPolarHBondContact CG-OE1 3.47Å
147K97.9Very high97.5Very high142 Ų14284.2 Ų84.262%0.61742%0.424SS*.Hα-helixtrans-56.2-44.3179.2-173.4-179.1177-1720112.2Q145 K150 E151Q145-K147 PolarHBondContact O-N 3.33Å; K147-K150 PolarHBondContact O-N 3Å; K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 WeakPolarHBondContact O-CB 3.48Å; K147-E151 VanDerWaalsContact O-CG 3.25Å; K147-E151 WeakPolarHBondContact O-CG 3.4Å; K147-E151 PolarHBondContact O-N 3.39Å
148Q97.5Very high97.5Very high77 Ų7781.9 Ų81.936%0.3641%0.412SS..Hα-helixtrans-67.8-40.9-179.1-66.2176.9-47.600111.6F108 Q145 E146 L152F108-Q148 HydrophobicContact CE1-CB 4.43Å; Q145-Q148 HydrophobicContact CB-CG 4.18Å; Q145-Q148 PolarHBondContact O-N 2.85Å; E146-Q148 VanDerWaalsContact C-N 3.31Å; E146-Q148 PolarHBondContact O-N 3.01Å; Q148-L152 PolarHBondContact O-N 2.77Å; Q148-L152 VanDerWaalsContact O-N 3.1Å
149A98.1Very high97.6Very high0 Ų081.1 Ų81.10%041%0.41CS..Hα-helixtrans-67.5-40.5177.300000111.9F100 F108 V144 Q145 E146 L152 A153 Y160F100-A149 HydrophobicContact CE1-CB 4.47Å; F100-A149 HydrophobicContact CZ-CB 3.8Å; F108-A149 HydrophobicContact CE2-CB 3.82Å; F108-A149 HydrophobicContact CZ-CB 4.24Å; V144-A149 HydrophobicContact CG1-CB 4.32Å; Q145-A149 PolarHBondContact O-N 3.07Å; E146-A149 PolarHBondContact O-N 2.98Å; A149-L152 WeakPolarHBondContact O-CB 3.32Å; A149-L152 PolarHBondContact O-N 3.19Å; A149-A153 PolarHBondContact O-N 3.46Å; A149-Y160 HydrophobicContact CB-CD1 4.46Å; A149-Y160 HydrophobicContact CB-CE1 3.7Å; A149-Y160 HydrophobicContact CB-CE2 3.92Å; A149-Y160 VanDerWaalsContact CB-OH 3.28Å; A149-Y160 WeakPolarHBondContact CB-OH 3.49Å
150K98.3Very high97.7Very high109 Ų10979.6 Ų79.647%0.47439%0.39SS..Hα-helixtrans-63.9-46.3174.7-171.5173.1-176.11690112.3E146 K147 L152 A153 D154 Y160E146-K150 WeakPolarHBondContact O-CB 3.35Å; E146-K150 PolarHBondContact O-N 2.74Å; K147-K150 PolarHBondContact O-N 3Å; K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.46Å; K150-A153 WeakPolarHBondContact O-CB 3.24Å; K150-A153 PolarHBondContact O-N 2.83Å; K150-A153 VanDerWaalsContact O-N 3.09Å; K150-D154 WeakPolarHBondContact O-CB 3.38Å; K150-D154 VanDerWaalsContact O-CG 3.25Å; K150-D154 PolarHBondContact O-N 3.24Å; K150-Y160 HydrophobicContact CB-CD1 4.31Å
151E98.4Very high97.8Very high106 Ų10672.7 Ų72.750%0.49535%0.352SS..Hα-helixtrans-58.4-37.8175-76.9172.3-178.800112.2K147 K155K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 WeakPolarHBondContact O-CB 3.48Å; K147-E151 VanDerWaalsContact O-CG 3.25Å; K147-E151 WeakPolarHBondContact O-CG 3.4Å; K147-E151 PolarHBondContact O-N 3.39Å; E151-K155 WeakPolarHBondContact O-CB 3.38Å; E151-K155 PolarHBondContact O-N 3.24Å
152L97.8Very high97.8Very high10 Ų1069.1 Ų69.15%0.05234%0.335CS..Hα-helixtrans-66.6-43.3174.8-173.168.5000111.7F108 V111 R112 Q148 A149 K150 K155 Y156F108-L152 HydrophobicContact CD2-CD2 4.36Å; F108-L152 HydrophobicContact CE2-CB 4.3Å; F108-L152 HydrophobicContact CE2-CD2 3.5Å; F108-L152 HydrophobicContact CZ-CB 3.97Å; F108-L152 HydrophobicContact CZ-CD2 3.62Å; F108-L152 HydrophobicContact CZ-CG 4.41Å; V111-L152 HydrophobicContact CB-CD2 4.25Å; V111-L152 HydrophobicContact CG1-CD2 3.91Å; R112-L152 HydrophobicContact CG-CD1 4.41Å; Q148-L152 PolarHBondContact O-N 2.77Å; Q148-L152 VanDerWaalsContact O-N 3.1Å; A149-L152 WeakPolarHBondContact O-CB 3.32Å; A149-L152 PolarHBondContact O-N 3.19Å; K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.46Å; L152-K155 WeakPolarHBondContact O-CB 3.49Å; L152-K155 PolarHBondContact O-N 2.84Å; L152-Y156 HydrophobicContact CD1-CD2 4.19Å; L152-Y156 HydrophobicContact CD1-CE2 3.55Å; L152-Y156 HydrophobicContact CD2-CE2 4.44Å; L152-Y156 HydrophobicContact CG-CD2 4.09Å; L152-Y156 HydrophobicContact CG-CE2 3.8Å; L152-Y156 WeakPolarHBondContact O-CD2 3.47Å; L152-Y156 PolarHBondContact O-N 3.17Å
153A98Very high97.8Very high1 Ų164.6 Ų64.61%0.00832%0.318CS..Hα-helixtrans-63.6-45.9177.800000111.7L131 A149 K150 K155 Y156 G157 I158 Y160L131-A153 HydrophobicContact CD2-CB 3.93Å; A149-A153 PolarHBondContact O-N 3.46Å; K150-A153 WeakPolarHBondContact O-CB 3.24Å; K150-A153 PolarHBondContact O-N 2.83Å; K150-A153 VanDerWaalsContact O-N 3.09Å; A153-K155 VanDerWaalsContact C-N 3.3Å; A153-K155 PolarHBondContact O-N 3.03Å; A153-Y156 CarbonylContact O-C 3.52Å; A153-Y156 PolarHBondContact O-N 2.69Å; A153-Y156 VanDerWaalsContact O-N 3.08Å; A153-G157 PolarHBondContact O-N 2.96Å; A153-I158 HydrophobicContact CB-CG1 4.18Å; A153-I158 WeakPolarHBondContact CB-O 3.32Å; A153-I158 PolarHBondContact O-N 2.91Å; A153-Y160 HydrophobicContact CB-CG 4.4Å
154D97.8Very high97.8Very high106 Ų10659.2 Ų59.257%0.56729%0.293SS*.Hα-helixtrans-60.4-40.3176.6-68.6-20.4000111.1K150 Y156 G157K150-D154 WeakPolarHBondContact O-CB 3.38Å; K150-D154 VanDerWaalsContact O-CG 3.25Å; K150-D154 PolarHBondContact O-N 3.24Å; D154-Y156 VanDerWaalsContact C-N 3.26Å; D154-Y156 PolarHBondContact O-N 2.71Å; D154-G157 PolarHBondContact O-N 2.76Å
155K96.8Very high97.8Very high157 Ų15759.4 Ų59.468%0.68329%0.294SS*.Hα-helixtrans-60.3-35.6175.4-177.4179.5-177.2-179.20112.8E151 L152 A153E151-K155 WeakPolarHBondContact O-CB 3.38Å; E151-K155 PolarHBondContact O-N 3.24Å; L152-K155 WeakPolarHBondContact O-CB 3.49Å; L152-K155 PolarHBondContact O-N 2.84Å; A153-K155 VanDerWaalsContact C-N 3.3Å; A153-K155 PolarHBondContact O-N 3.03Å
156Y95.2Very high97.7Very high69 Ų6954.9 Ų54.927%0.27128%0.278SS..Hα-helixtrans-89.4-7.5176.2-68.4-57000113.2M115 L152 A153 D154 I158M115-Y156 HydrophobicContact CE-CD1 3.87Å; M115-Y156 HydrophobicContact CE-CE1 4.46Å; M115-Y156 HydrophobicContact CE-CG 4.03Å; M115-Y156 HydrophobicContact CG-CD1 4.1Å; M115-Y156 HydrophobicContact CG-CE1 3.77Å; M115-Y156 HydrophobicContact CG-CE2 4.26Å; M115-Y156 HydrophobicContact CG-CG 4.49Å; L152-Y156 HydrophobicContact CD1-CD2 4.19Å; L152-Y156 HydrophobicContact CD1-CE2 3.55Å; L152-Y156 HydrophobicContact CD2-CE2 4.44Å; L152-Y156 HydrophobicContact CG-CD2 4.09Å; L152-Y156 HydrophobicContact CG-CE2 3.8Å; L152-Y156 WeakPolarHBondContact O-CD2 3.47Å; L152-Y156 PolarHBondContact O-N 3.17Å; A153-Y156 CarbonylContact O-C 3.52Å; A153-Y156 PolarHBondContact O-N 2.69Å; A153-Y156 VanDerWaalsContact O-N 3.08Å; D154-Y156 VanDerWaalsContact C-N 3.26Å; D154-Y156 PolarHBondContact O-N 2.71Å; Y156-I158 VanDerWaalsContact C-N 3.32Å; Y156-I158 HydrophobicContact CD2-CD1 4.49Å
157G96.3Very high97.7Very high69 Ų6954.2 Ų54.271%0.71128%0.281SS*.THydrogen-bonded Turntrans66.231.6-175.700000113.5A153 D154A153-G157 PolarHBondContact O-N 2.96Å; D154-G157 PolarHBondContact O-N 2.76Å
158I97.5Very high97.6Very high21 Ų2148.3 Ų48.311%0.10826%0.26CS..  trans-114.3148.3-176.263.4-178.2000111.4I129 L131 A153 Y156I129-I158 HydrophobicContact CB-CG2 4.11Å; I129-I158 HydrophobicContact CG2-CD1 4.04Å; L131-I158 HydrophobicContact CB-CD1 3.84Å; L131-I158 HydrophobicContact CB-CG1 4.28Å; A153-I158 HydrophobicContact CB-CG1 4.18Å; A153-I158 WeakPolarHBondContact CB-O 3.32Å; A153-I158 PolarHBondContact O-N 2.91Å; Y156-I158 VanDerWaalsContact C-N 3.32Å; Y156-I158 HydrophobicContact CD2-CD1 4.49Å
159P98.4Very high97.6Very high41 Ų4146.8 Ų46.827%0.26626%0.261SS..  trans-63.5150.2173.1-21.133.5000112.2I129 V130 L131 F161 T177 L181I129-P159 WeakPolarHBondContact O-CD 3.37Å; V130-P159 HydrophobicContact CG2-CB 4.29Å; V130-P159 HydrophobicContact CG2-CG 4.26Å; L131-P159 PolarHBondContact N-O 2.81Å; P159-F161 HydrophobicContact CB-CE2 3.97Å; P159-T177 HydrophobicContact CB-CG2 4.11Å; P159-T177 HydrophobicContact CG-CG2 4Å; P159-L181 HydrophobicContact CG-CD1 4Å
160Y98.7Very high97.6Very high37 Ų3750.6 Ų50.615%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-128.2135.1176.9173.5-125.3000111.8F100 L131 E146 A149 K150 A153 E162F100-Y160 AromaticContact CE1-CE2 3.8Å; F100-Y160 HydrophobicContact CE1-CE2 3.8Å; F100-Y160 AromaticContact CZ-CE2 3.82Å; F100-Y160 HydrophobicContact CZ-CE2 3.82Å; L131-Y160 HydrophobicContact CB-CD2 4.1Å; L131-Y160 HydrophobicContact CD2-CD2 3.84Å; L131-Y160 HydrophobicContact CD2-CE2 4.38Å; L131-Y160 HydrophobicContact CD2-CG 4.46Å; L131-Y160 HydrophobicContact CG-CD2 3.86Å; L131-Y160 HydrophobicContact CG-CE2 4.42Å; L131-Y160 WeakPolarHBondContact O-CA 3.49Å; L131-Y160 WeakPolarHBondContact O-CD2 3.39Å; E146-Y160 HydrophobicContact CG-CE1 4.41Å; A149-Y160 HydrophobicContact CB-CD1 4.46Å; A149-Y160 HydrophobicContact CB-CE1 3.7Å; A149-Y160 HydrophobicContact CB-CE2 3.92Å; A149-Y160 VanDerWaalsContact CB-OH 3.28Å; A149-Y160 WeakPolarHBondContact CB-OH 3.49Å; K150-Y160 HydrophobicContact CB-CD1 4.31Å; A153-Y160 HydrophobicContact CB-CG 4.4Å; Y160-E162 HydrophobicContact CE1-CG 4Å; Y160-E162 HydrophobicContact CE2-CG 4.43Å; Y160-E162 WeakPolarHBondContact OH-CG 3.41Å; Y160-E162 PolarHBondContact OH-OE1 2.86Å; Y160-E162 VanDerWaalsContact OH-OE1 3.09Å
161F98.8Very high97.6Very high26 Ų2645.4 Ų45.411%0.11426%0.256CS..EExtended strand (participates in β ladder)trans-132.5134.5173.2-60.8-84.7000111.4V130 L131 V132 G133 P159 T163 K173 A174 T177V130-F161 HydrophobicContact CG1-CD2 3.53Å; V130-F161 HydrophobicContact CG1-CE2 3.8Å; L131-F161 PolarHBondContact O-N 2.83Å; V132-F161 WeakPolarHBondContact CA-O 3.39Å; G133-F161 PolarHBondContact N-O 2.83Å; P159-F161 HydrophobicContact CB-CE2 3.97Å; F161-T163 HydrophobicContact CB-CG2 3.9Å; F161-K173 HydrophobicContact CD1-CD 4.09Å; F161-K173 HydrophobicContact CE1-CD 3.62Å; F161-K173 HydrophobicContact CE1-CG 3.91Å; F161-K173 HydrophobicContact CZ-CG 4.4Å; F161-A174 HydrophobicContact CB-CB 4.18Å; F161-A174 HydrophobicContact CD2-CB 3.82Å; F161-A174 HydrophobicContact CE2-CB 4.47Å; F161-A174 HydrophobicContact CG-CB 4.06Å; F161-T177 HydrophobicContact CE2-CG2 3.94Å; F161-T177 HydrophobicContact CZ-CG2 4.03Å; F161-T177 WeakPolarHBondContact CZ-OG1 3.32Å
162E98.8Very high97.6Very high42 Ų4243.6 Ų43.620%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-86.5122.8161.1-69.3-171.8-17000108.7L102 G133 A136 R142 E146 Y160 E170L102-E162 HydrophobicContact CD1-CB 4.15Å; L102-E162 HydrophobicContact CD1-CG 4.02Å; L102-E162 HydrophobicContact CD2-CG 4.25Å; G133-E162 CarbonylContact O-C 3.53Å; G133-E162 VanDerWaalsContact O-CA 3.3Å; G133-E162 WeakPolarHBondContact O-CA 3.35Å; A136-E162 HydrophobicContact CB-CB 4.32Å; R142-E162 IonicContact CZ-OE1 3.51Å; R142-E162 IonicContact CZ-OE2 3.47Å; R142-E162 IonicContact NH1-OE1 3.58Å; R142-E162 IonicContact NH1-OE2 2.88Å; R142-E162 PolarHBondContact NH1-OE2 3.47Å; R142-E162 VanDerWaalsContact NH2-CD 3.33Å; R142-E162 IonicContact NH2-OE1 3.68Å; R142-E162 PolarHBondContact NH2-OE1 2.8Å; R142-E162 IonicContact NH2-OE2 3.75Å; R142-E162 PolarHBondContact NH2-OE2 2.76Å; E146-E162 WeakPolarHBondContact CA-OE1 3.34Å; E146-E162 VanDerWaalsContact CB-OE1 3.31Å; E146-E162 WeakPolarHBondContact CB-OE1 2.89Å; E146-E162 WeakPolarHBondContact CG-OE1 3.47Å; Y160-E162 HydrophobicContact CE1-CG 4Å; Y160-E162 HydrophobicContact CE2-CG 4.43Å; Y160-E162 WeakPolarHBondContact OH-CG 3.41Å; Y160-E162 PolarHBondContact OH-OE1 2.86Å; Y160-E162 VanDerWaalsContact OH-OE1 3.09Å; E162-E170 WeakPolarHBondContact O-CB 3.4Å
163T98.7Very high97.6Very high0 Ų048 Ų480%027%0.269CS..  trans-127.8160.5-171.366.70000110.9F25 V132 G133 N134 K135 A136 F161 A169 E170 A174F25-T163 HydrophobicContact CE2-CG2 4.04Å; V132-T163 HydrophobicContact CG1-CG2 3.65Å; V132-T163 WeakPolarHBondContact CG1-OG1 3.25Å; G133-T163 PolarHBondContact O-N 2.79Å; N134-T163 CarbonylContact C-O 3.5Å; N134-T163 WeakPolarHBondContact CA-O 3.49Å; N134-T163 PolarHBondContact OD1-O 3.46Å; N134-T163 PolarHBondContact OD1-OG1 2.84Å; K135-T163 PolarHBondContact N-O 3.11Å; A136-T163 WeakPolarHBondContact CB-O 3.11Å; A136-T163 PolarHBondContact N-O 2.87Å; F161-T163 HydrophobicContact CB-CG2 3.9Å; T163-A169 VanDerWaalsContact CA-O 3.29Å; T163-A169 WeakPolarHBondContact CA-O 3.45Å; T163-A169 WeakPolarHBondContact CB-O 3.25Å; T163-E170 HydrophobicContact CG2-CB 3.95Å; T163-A174 HydrophobicContact CG2-CB 4.29Å
164S98.3Very high97.6Very high1 Ų148 Ų481%0.00727%0.269CS..  trans-136.8109.7171.1166.40000109.4D137 A166 T167 G168 A169D137-S164 WeakPolarHBondContact CB-OG 3.24Å; D137-S164 VanDerWaalsContact OD1-CB 3.22Å; D137-S164 WeakPolarHBondContact OD1-CB 3.48Å; D137-S164 PolarHBondContact OD1-OG 3.34Å; S164-A166 PolarHBondContact O-N 2.82Å; S164-A166 PolarHBondContact OG-N 2.96Å; S164-T167 WeakPolarHBondContact CB-OG1 3.45Å; S164-T167 PolarHBondContact O-N 2.88Å; S164-T167 PolarHBondContact OG-N 3.12Å; S164-T167 PolarHBondContact OG-OG1 3.24Å; S164-G168 CarbonylContact O-C 3.57Å; S164-G168 VanDerWaalsContact O-CA 3.27Å; S164-G168 WeakPolarHBondContact O-CA 3.42Å; S164-G168 PolarHBondContact O-N 3.13Å; S164-A169 PolarHBondContact N-O 3.16Å; S164-A169 PolarHBondContact O-N 3.32Å
165A96.9Very high97.6Very high4 Ų443 Ų433%0.03324%0.242CC..THydrogen-bonded Turntrans-62.8-26171.700000112.4T24 F25 R28 N134T24-A165 HydrophobicContact CG2-CB 3.96Å; F25-A165 HydrophobicContact CB-CB 4.3Å; R28-A165 HydrophobicContact CB-CB 4.43Å; R28-A165 PolarHBondContact NE-O 3.29Å; N134-A165 PolarHBondContact OD1-N 3.33Å
166A96.1Very high97.6Very high26 Ų2639.6 Ų39.622%0.21523%0.23CC..THydrogen-bonded Turntrans-66.9-50.617700000111.6R28 F34 S164R28-A166 PolarHBondContact NH2-O 2.89Å; F34-A166 VanDerWaalsContact CD2-CA 3.48Å; F34-A166 HydrophobicContact CD2-CB 4.15Å; F34-A166 HydrophobicContact CE1-CB 4.31Å; F34-A166 HydrophobicContact CE2-CB 3.84Å; F34-A166 HydrophobicContact CZ-CB 3.93Å; S164-A166 PolarHBondContact O-N 2.82Å; S164-A166 PolarHBondContact OG-N 2.96Å
167T96.6Very high97.7Very high94 Ų9438 Ų3858%0.57723%0.228SC*.THydrogen-bonded Turntrans-91.1-21.5-176.763.20000113.6D137 S164 A169D137-T167 HydrophobicContact CB-CG2 4.02Å; S164-T167 WeakPolarHBondContact CB-OG1 3.45Å; S164-T167 PolarHBondContact O-N 2.88Å; S164-T167 PolarHBondContact OG-N 3.12Å; S164-T167 PolarHBondContact OG-OG1 3.24Å; T167-A169 WeakPolarHBondContact OG1-CB 3.43Å; T167-A169 PolarHBondContact OG1-N 2.98Å
168G96.8Very high97.8Very high18 Ų1834.7 Ų34.719%0.18619%0.194CC..  trans87.7-2-170.300000114.2S164 E170 V171S164-G168 CarbonylContact O-C 3.57Å; S164-G168 VanDerWaalsContact O-CA 3.27Å; S164-G168 WeakPolarHBondContact O-CA 3.42Å; S164-G168 PolarHBondContact O-N 3.13Å; G168-E170 PolarHBondContact O-N 3.17Å; G168-V171 PolarHBondContact O-N 3.48Å
169A98.1Very high97.7Very high46 Ų4633.9 Ų33.938%0.3819%0.19SC..THydrogen-bonded Turntrans-56.9127.8-177.400000111.8T163 S164 T167 V171T163-A169 VanDerWaalsContact CA-O 3.29Å; T163-A169 WeakPolarHBondContact CA-O 3.45Å; T163-A169 WeakPolarHBondContact CB-O 3.25Å; S164-A169 PolarHBondContact N-O 3.16Å; S164-A169 PolarHBondContact O-N 3.32Å; T167-A169 WeakPolarHBondContact OG1-CB 3.43Å; T167-A169 PolarHBondContact OG1-N 2.98Å; A169-V171 PolarHBondContact O-N 2.95Å
170E98Very high97.6Very high79 Ų7934 Ų3437%0.36919%0.188SC..THydrogen-bonded Turntrans55.67178.1-57.7-68.699.600116.1E162 T163 G168 K173 A174E162-E170 WeakPolarHBondContact O-CB 3.4Å; T163-E170 HydrophobicContact CG2-CB 3.95Å; G168-E170 PolarHBondContact O-N 3.17Å; E170-K173 PolarHBondContact O-N 3.37Å; E170-K173 IonicContact OE1-NZ 3.16Å; E170-K173 WeakPolarHBondContact OE2-CD 3.33Å; E170-K173 WeakPolarHBondContact OE2-CE 3.47Å; E170-K173 IonicContact OE2-NZ 3.95Å; E170-K173 PolarHBondContact OE2-NZ 3.48Å; E170-A174 WeakPolarHBondContact O-CB 3.49Å; E170-A174 PolarHBondContact O-N 3.28Å
171V98.3Very high97.4Very high0 Ų034.6 Ų34.60%019%0.194CC..Hα-helixtrans-63.7-54.1-179.2172.90000111F25 R28 Y29 G168 A169 K173 A174 V175F25-V171 HydrophobicContact CD1-CG1 4.45Å; F25-V171 HydrophobicContact CD2-CB 4.47Å; F25-V171 HydrophobicContact CD2-CG1 4.1Å; F25-V171 HydrophobicContact CD2-CG2 3.91Å; F25-V171 HydrophobicContact CE1-CG1 4.13Å; F25-V171 HydrophobicContact CE2-CB 3.99Å; F25-V171 HydrophobicContact CE2-CG1 3.78Å; F25-V171 HydrophobicContact CE2-CG2 3.76Å; F25-V171 HydrophobicContact CG-CG1 4.42Å; F25-V171 HydrophobicContact CZ-CB 4.31Å; F25-V171 HydrophobicContact CZ-CG1 3.78Å; R28-V171 HydrophobicContact CG-CB 4.29Å; R28-V171 HydrophobicContact CG-CG1 4.05Å; R28-V171 HydrophobicContact CG-CG2 4.02Å; Y29-V171 HydrophobicContact CD2-CG1 4.46Å; G168-V171 PolarHBondContact O-N 3.48Å; A169-V171 PolarHBondContact O-N 2.95Å; V171-K173 VanDerWaalsContact C-N 3.29Å; V171-K173 PolarHBondContact O-N 3.39Å; V171-A174 PolarHBondContact O-N 2.73Å; V171-V175 PolarHBondContact O-N 3.42Å
172D97.1Very high97.2Very high68 Ų6833.4 Ų33.436%0.36419%0.188SC..Hα-helixtrans-61.1-40.6178.4-71.3-91.4000111.8Y29 K49 V175 I176Y29-D172 HydrophobicContact CD2-CB 4.47Å; Y29-D172 WeakPolarHBondContact CD2-OD1 3.34Å; Y29-D172 HydrophobicContact CE2-CB 4.37Å; Y29-D172 WeakPolarHBondContact CE2-OD1 3.32Å; K49-D172 IonicContact NZ-OD1 3.2Å; D172-V175 PolarHBondContact O-N 3.41Å; D172-I176 HydrophobicContact CB-CD1 4.29Å; D172-I176 WeakPolarHBondContact O-CB 3.45Å; D172-I176 WeakPolarHBondContact O-CD1 3.33Å; D172-I176 WeakPolarHBondContact O-CG1 3.41Å; D172-I176 PolarHBondContact O-N 3.1Å
173K97.9Very high96.9Very high104 Ų10431.5 Ų31.545%0.45218%0.179SC..Hα-helixtrans-63.7-44.7-178.5-165-171-175.9-179.10111.6F161 E170 V171 V175 I176 T177F161-K173 HydrophobicContact CD1-CD 4.09Å; F161-K173 HydrophobicContact CE1-CD 3.62Å; F161-K173 HydrophobicContact CE1-CG 3.91Å; F161-K173 HydrophobicContact CZ-CG 4.4Å; E170-K173 PolarHBondContact O-N 3.37Å; E170-K173 IonicContact OE1-NZ 3.16Å; E170-K173 WeakPolarHBondContact OE2-CD 3.33Å; E170-K173 WeakPolarHBondContact OE2-CE 3.47Å; E170-K173 IonicContact OE2-NZ 3.95Å; E170-K173 PolarHBondContact OE2-NZ 3.48Å; V171-K173 VanDerWaalsContact C-N 3.29Å; V171-K173 PolarHBondContact O-N 3.39Å; K173-V175 VanDerWaalsContact C-N 3.35Å; K173-V175 PolarHBondContact O-N 3.48Å; K173-I176 PolarHBondContact O-N 2.9Å; K173-T177 WeakPolarHBondContact O-CB 3.46Å; K173-T177 PolarHBondContact O-N 3.25Å; K173-T177 PolarHBondContact O-OG1 3.2Å
174A98.5Very high96.5Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-59.8-43.7176.900000112.2F25 V130 V132 F161 T163 E170 V171 L178F25-A174 HydrophobicContact CZ-CB 4.22Å; V130-A174 HydrophobicContact CG1-CB 4.41Å; V132-A174 HydrophobicContact CG2-CB 4.23Å; F161-A174 HydrophobicContact CB-CB 4.18Å; F161-A174 HydrophobicContact CD2-CB 3.82Å; F161-A174 HydrophobicContact CE2-CB 4.47Å; F161-A174 HydrophobicContact CG-CB 4.06Å; T163-A174 HydrophobicContact CG2-CB 4.29Å; E170-A174 WeakPolarHBondContact O-CB 3.49Å; E170-A174 PolarHBondContact O-N 3.28Å; V171-A174 PolarHBondContact O-N 2.73Å; A174-L178 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-N 3.13Å
175V98.1Very high96.1Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-69.5-42178.3-177.70000111.7L12 F25 Y29 L71 L73 L97 V171 D172 K173 L178 L179L12-V175 HydrophobicContact CD1-CG1 4.17Å; F25-V175 HydrophobicContact CE1-CG2 3.68Å; F25-V175 HydrophobicContact CZ-CG2 4Å; Y29-V175 HydrophobicContact CD1-CG1 4.25Å; Y29-V175 HydrophobicContact CD1-CG2 4.35Å; Y29-V175 HydrophobicContact CD2-CB 4.11Å; Y29-V175 HydrophobicContact CD2-CG1 4.46Å; Y29-V175 HydrophobicContact CD2-CG2 3.96Å; Y29-V175 HydrophobicContact CE1-CB 4.36Å; Y29-V175 HydrophobicContact CE1-CG1 3.68Å; Y29-V175 HydrophobicContact CE2-CB 3.8Å; Y29-V175 HydrophobicContact CE2-CG1 3.94Å; Y29-V175 HydrophobicContact CE2-CG2 4.18Å; Y29-V175 HydrophobicContact CG-CG2 4.03Å; Y29-V175 VanDerWaalsContact CZ-CG1 3.49Å; L71-V175 HydrophobicContact CD1-CG1 4.42Å; L73-V175 HydrophobicContact CD2-CG1 4.5Å; L97-V175 HydrophobicContact CD1-CG2 4.2Å; V171-V175 PolarHBondContact O-N 3.42Å; D172-V175 PolarHBondContact O-N 3.41Å; K173-V175 VanDerWaalsContact C-N 3.35Å; K173-V175 PolarHBondContact O-N 3.48Å; V175-L178 PolarHBondContact O-N 3.06Å; V175-L179 PolarHBondContact O-N 3.02Å
176I96.5Very high95.5Very high86 Ų8641.1 Ų41.144%0.44122%0.22SC..Hα-helixtrans-66.2-39.5178.7-69.4165.5000110.9D172 K173 L178 L179 D180D172-I176 HydrophobicContact CB-CD1 4.29Å; D172-I176 WeakPolarHBondContact O-CB 3.45Å; D172-I176 WeakPolarHBondContact O-CD1 3.33Å; D172-I176 WeakPolarHBondContact O-CG1 3.41Å; D172-I176 PolarHBondContact O-N 3.1Å; K173-I176 PolarHBondContact O-N 2.9Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L179 PolarHBondContact O-N 3.19Å; I176-D180 WeakPolarHBondContact O-CB 3.49Å; I176-D180 PolarHBondContact O-N 2.85Å
177T97.9Very high94.8Very high35 Ų3543.1 Ų43.122%0.21523%0.225CC..Hα-helixtrans-62.1-42.9174.3-65.10000111.3V130 P159 F161 K173 L179 D180 L181V130-T177 HydrophobicContact CG2-CG2 4.26Å; P159-T177 HydrophobicContact CB-CG2 4.11Å; P159-T177 HydrophobicContact CG-CG2 4Å; F161-T177 HydrophobicContact CE2-CG2 3.94Å; F161-T177 HydrophobicContact CZ-CG2 4.03Å; F161-T177 WeakPolarHBondContact CZ-OG1 3.32Å; K173-T177 WeakPolarHBondContact O-CB 3.46Å; K173-T177 PolarHBondContact O-N 3.25Å; K173-T177 PolarHBondContact O-OG1 3.2Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.45Å; T177-D180 PolarHBondContact O-N 3.24Å; T177-L181 WeakPolarHBondContact O-CG 3.48Å; T177-L181 PolarHBondContact O-N 2.98Å; T177-L181 VanDerWaalsContact O-N 3.07Å
178L97.8Very high94Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-63.2-42.1174.9-178.358.6000111.8L12 L97 D128 V130 A174 V175 I176 L181 V182L12-L178 HydrophobicContact CB-CD2 4.37Å; L12-L178 HydrophobicContact CD1-CD2 4.11Å; L12-L178 HydrophobicContact CD1-CG 4.39Å; L12-L178 HydrophobicContact CD2-CD2 3.95Å; L12-L178 HydrophobicContact CD2-CG 4.01Å; L12-L178 HydrophobicContact CG-CD2 4.37Å; L97-L178 HydrophobicContact CD2-CB 4.49Å; L97-L178 HydrophobicContact CD2-CD2 3.77Å; L97-L178 HydrophobicContact CG-CD2 3.68Å; D128-L178 HydrophobicContact CB-CD1 4.02Å; D128-L178 WeakPolarHBondContact O-CD1 3.39Å; V130-L178 HydrophobicContact CB-CB 4.41Å; V130-L178 HydrophobicContact CG2-CB 3.75Å; V130-L178 HydrophobicContact CG2-CD1 4.12Å; V130-L178 HydrophobicContact CG2-CG 4.47Å; A174-L178 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-N 3.13Å; V175-L178 PolarHBondContact O-N 3.06Å; I176-L178 VanDerWaalsContact C-N 3.34Å; L178-L181 PolarHBondContact O-N 3.1Å; L178-V182 HydrophobicContact CD1-CG2 4.48Å; L178-V182 WeakPolarHBondContact O-CG2 3.48Å; L178-V182 PolarHBondContact O-N 3.28Å; L178-V182 VanDerWaalsContact O-N 3.08Å
179L96.4Very high92.8Very high5 Ų548.9 Ų48.93%0.02625%0.25CS..Hα-helixtrans-60.4-45.4175.3174.960.2000111.6I10 V51 Y53 V69 L71 V175 I176 T177 L181 V182 M183I10-L179 HydrophobicContact CB-CD1 4.42Å; I10-L179 HydrophobicContact CG1-CD1 4.09Å; I10-L179 HydrophobicContact CG2-CD1 4.17Å; V51-L179 HydrophobicContact CG2-CD2 3.88Å; Y53-L179 HydrophobicContact CD2-CD2 4.34Å; Y53-L179 HydrophobicContact CD2-CG 4.4Å; V69-L179 HydrophobicContact CG1-CD1 4.11Å; L71-L179 HydrophobicContact CD2-CD1 4.03Å; L71-L179 HydrophobicContact CD2-CD2 4.38Å; V175-L179 PolarHBondContact O-N 3.02Å; I176-L179 PolarHBondContact O-N 3.19Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.45Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 2.94Å; L179-V182 PolarHBondContact O-N 3.15Å; L179-M183 HydrophobicContact CD1-CG 3.69Å; L179-M183 HydrophobicContact CD1-SD 4.26Å; L179-M183 HydrophobicContact CG-CG 4.14Å; L179-M183 WeakPolarHBondContact O-CB 3.4Å; L179-M183 VanDerWaalsContact O-CG 3.24Å; L179-M183 WeakPolarHBondContact O-CG 3.4Å; L179-M183 PolarHBondContact O-N 3.24Å
180D95.1Very high91.2Very high42 Ų4252.3 Ų52.323%0.22527%0.266CS..Hα-helixtrans-59.5-43.1177.8175.173000112Y53 I176 T177 M183 K184Y53-D180 HydrophobicContact CE2-CB 4.29Å; Y53-D180 PolarHBondContact OH-OD1 3.47Å; Y53-D180 VanDerWaalsContact OH-OD1 3.08Å; I176-D180 WeakPolarHBondContact O-CB 3.49Å; I176-D180 PolarHBondContact O-N 2.85Å; T177-D180 PolarHBondContact O-N 3.24Å; D180-M183 PolarHBondContact O-N 3.38Å; D180-K184 VanDerWaalsContact CG-NZ 3.33Å; D180-K184 WeakPolarHBondContact O-CB 3.35Å; D180-K184 VanDerWaalsContact O-CG 3.28Å; D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.21Å; D180-K184 WeakPolarHBondContact OD1-CE 3.12Å; D180-K184 IonicContact OD1-NZ 2.83Å; D180-K184 PolarHBondContact OD1-NZ 3.11Å; D180-K184 WeakPolarHBondContact OD2-CE 3.45Å; D180-K184 IonicContact OD2-NZ 2.75Å; D180-K184 PolarHBondContact OD2-NZ 3.14Å
181L94.9Very high89.2Confident51 Ų5155.1 Ų55.127%0.26728%0.284SS..Hα-helixtrans-58.7-50.4174.1-69.7174.7000111.7D128 V130 P159 T177 L178 L179 M183 K184 R185D128-L181 HydrophobicContact CB-CB 4.05Å; V130-L181 HydrophobicContact CG2-CD1 4.26Å; P159-L181 HydrophobicContact CG-CD1 4Å; T177-L181 WeakPolarHBondContact O-CG 3.48Å; T177-L181 PolarHBondContact O-N 2.98Å; T177-L181 VanDerWaalsContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.1Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 2.94Å; L181-M183 PolarHBondContact O-N 3.42Å; L181-K184 PolarHBondContact O-N 3.16Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 PolarHBondContact O-N 3.3Å
182V93.9Very high86.5Confident0 Ų063.1 Ų63.10%032%0.318CS..Hα-helixtrans-62.2-45.2-179.7172.90000111.3I10 L12 M94 D128 L178 L179 R185 M186I10-V182 HydrophobicContact CD1-CG1 4.06Å; I10-V182 HydrophobicContact CG2-CG1 4.12Å; L12-V182 HydrophobicContact CD2-CG2 4.23Å; M94-V182 HydrophobicContact CB-CG1 3.91Å; M94-V182 HydrophobicContact CB-CG2 4.49Å; M94-V182 HydrophobicContact CE-CG1 3.94Å; D128-V182 HydrophobicContact CB-CG2 3.9Å; D128-V182 WeakPolarHBondContact OD2-CA 3.37Å; L178-V182 HydrophobicContact CD1-CG2 4.48Å; L178-V182 WeakPolarHBondContact O-CG2 3.48Å; L178-V182 PolarHBondContact O-N 3.28Å; L178-V182 VanDerWaalsContact O-N 3.08Å; L179-V182 PolarHBondContact O-N 3.15Å; V182-R185 PolarHBondContact O-N 3.01Å; V182-M186 HydrophobicContact CG1-SD 4.27Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 3Å
183M92.2Very high83.7Confident2 Ų265 Ų651%0.0133%0.334CS..Hα-helixtrans-63.6-45.3179.7-71-62.1-71.700111.5Y8 I10 Y53 F67 V69 L179 D180 L181 R185 M186 E187Y8-M183 HydrophobicContact CD2-CE 3.53Å; Y8-M183 HydrophobicContact CD2-SD 4.36Å; Y8-M183 HydrophobicContact CE2-CE 3.66Å; Y8-M183 HydrophobicContact CG-CE 4.14Å; Y8-M183 HydrophobicContact CG-SD 4.42Å; I10-M183 HydrophobicContact CD1-SD 4.13Å; I10-M183 HydrophobicContact CG1-SD 4.33Å; Y53-M183 HydrophobicContact CD1-CB 4.31Å; Y53-M183 HydrophobicContact CD1-CE 3.65Å; Y53-M183 HydrophobicContact CD1-CG 3.99Å; Y53-M183 HydrophobicContact CD2-CG 4.48Å; Y53-M183 HydrophobicContact CE1-CB 3.7Å; Y53-M183 HydrophobicContact CE1-CE 4Å; Y53-M183 HydrophobicContact CE1-CG 3.9Å; Y53-M183 HydrophobicContact CE2-CB 4.43Å; Y53-M183 HydrophobicContact CE2-CG 4.41Å; Y53-M183 HydrophobicContact CG-CE 4.46Å; Y53-M183 HydrophobicContact CG-CG 4.28Å; F67-M183 HydrophobicContact CD2-CE 4.31Å; V69-M183 HydrophobicContact CG2-CE 4.43Å; V69-M183 HydrophobicContact CG2-SD 4.48Å; L179-M183 HydrophobicContact CD1-CG 3.69Å; L179-M183 HydrophobicContact CD1-SD 4.26Å; L179-M183 HydrophobicContact CG-CG 4.14Å; L179-M183 WeakPolarHBondContact O-CB 3.4Å; L179-M183 VanDerWaalsContact O-CG 3.24Å; L179-M183 WeakPolarHBondContact O-CG 3.4Å; L179-M183 PolarHBondContact O-N 3.24Å; D180-M183 PolarHBondContact O-N 3.38Å; L181-M183 PolarHBondContact O-N 3.42Å; M183-R185 VanDerWaalsContact C-N 3.32Å; M183-R185 PolarHBondContact O-N 3.18Å; M183-M186 WeakPolarHBondContact O-CB 3.37Å; M183-M186 PolarHBondContact O-N 3.37Å; M183-M186 VanDerWaalsContact O-N 3.17Å; M183-E187 WeakPolarHBondContact O-CG 3.48Å; M183-E187 PolarHBondContact O-N 3.43Å
184K90.6Very high80.9Confident95 Ų9565.5 Ų65.541%0.41335%0.348SS..Hα-helixtrans-60.5-41.2175.9-77.1171.7175.6164.30112.2D180 L181 E187 Q188D180-K184 VanDerWaalsContact CG-NZ 3.33Å; D180-K184 WeakPolarHBondContact O-CB 3.35Å; D180-K184 VanDerWaalsContact O-CG 3.28Å; D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.21Å; D180-K184 WeakPolarHBondContact OD1-CE 3.12Å; D180-K184 IonicContact OD1-NZ 2.83Å; D180-K184 PolarHBondContact OD1-NZ 3.11Å; D180-K184 WeakPolarHBondContact OD2-CE 3.45Å; D180-K184 IonicContact OD2-NZ 2.75Å; D180-K184 PolarHBondContact OD2-NZ 3.14Å; L181-K184 PolarHBondContact O-N 3.16Å; K184-E187 PolarHBondContact O-N 3.26Å; K184-Q188 WeakPolarHBondContact O-CG 3.22Å; K184-Q188 PolarHBondContact O-N 3.07Å; K184-Q188 VanDerWaalsContact O-N 3.14Å
185R89.3Confident78.5Confident59 Ų5970.1 Ų70.122%0.22339%0.386CS..Hα-helixtrans-64-41.9175.5-173.3-177.164.9-169.3-10.9111.3M94 D128 L181 V182 M183 Q188 C189M94-R185 PolarHBondContact O-NH2 3.2Å; D128-R185 WeakPolarHBondContact OD2-CD 3.46Å; D128-R185 IonicContact OD2-CZ 3.55Å; D128-R185 IonicContact OD2-NE 3.57Å; D128-R185 PolarHBondContact OD2-NE 2.89Å; D128-R185 VanDerWaalsContact OD2-NE 3.09Å; D128-R185 IonicContact OD2-NH1 3.92Å; D128-R185 PolarHBondContact OD2-NH1 3.26Å; D128-R185 IonicContact OD2-NH2 3.68Å; D128-R185 PolarHBondContact OD2-NH2 2.77Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 PolarHBondContact O-N 3.3Å; V182-R185 PolarHBondContact O-N 3.01Å; M183-R185 VanDerWaalsContact C-N 3.32Å; M183-R185 PolarHBondContact O-N 3.18Å; R185-Q188 PolarHBondContact O-N 3.09Å; R185-C189 PolarHBondContact O-N 3.48Å; R185-C189 VanDerWaalsContact O-N 3.1Å; R185-C189 PolarHBondContact O-SG 3.42Å; R185-C189 VanDerWaalsContact O-SG 3.39Å
186M85.7Confident75.8Confident54 Ų5477.2 Ų77.227%0.26642%0.424SS..Hα-helixtrans-62-43176.6-72-179.482.600112.2Y8 I10 M94 V182 M183 Q188 C189 V190Y8-M186 HydrophobicContact CD1-CE 4.01Å; Y8-M186 HydrophobicContact CE1-CE 4.3Å; I10-M186 HydrophobicContact CD1-CE 4.36Å; I10-M186 HydrophobicContact CD1-SD 3.46Å; I10-M186 WeakPolarHBondContact CD1-SD 3.41Å; M94-M186 HydrophobicContact CE-CE 3.77Å; M94-M186 HydrophobicContact CE-CG 4.1Å; M94-M186 HydrophobicContact CE-SD 3.32Å; M94-M186 WeakPolarHBondContact CE-SD 3.43Å; V182-M186 HydrophobicContact CG1-SD 4.27Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 3Å; M183-M186 WeakPolarHBondContact O-CB 3.37Å; M183-M186 PolarHBondContact O-N 3.37Å; M183-M186 VanDerWaalsContact O-N 3.17Å; M186-Q188 PolarHBondContact O-N 3.19Å; M186-C189 PolarHBondContact O-N 3.07Å; M186-V190 WeakPolarHBondContact O-CG2 3.18Å; M186-V190 PolarHBondContact O-N 3.38Å
187E82.1Confident73.3Confident67 Ų6778.7 Ų78.731%0.31344%0.439SS..Hα-helixtrans-59.1-46.1175.9-71.9174.1-179.600111.6T55 M183 K184 C189 V190 D191T55-E187 WeakPolarHBondContact CG2-OE1 3.42Å; M183-E187 WeakPolarHBondContact O-CG 3.48Å; M183-E187 PolarHBondContact O-N 3.43Å; K184-E187 PolarHBondContact O-N 3.26Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 2.81Å; E187-V190 PolarHBondContact O-N 3.28Å; E187-V190 VanDerWaalsContact O-N 3.13Å; E187-D191 PolarHBondContact O-N 3.1Å; E187-D191 VanDerWaalsContact O-N 3.16Å
188Q79.4Confident70.8Confident141 Ų14182 Ų8266%0.65947%0.47SS*.Hα-helixtrans-64.4-30.5178.6-69.1171.68.700113.8K184 R185 M186K184-Q188 WeakPolarHBondContact O-CG 3.22Å; K184-Q188 PolarHBondContact O-N 3.07Å; K184-Q188 VanDerWaalsContact O-N 3.14Å; R185-Q188 PolarHBondContact O-N 3.09Å; M186-Q188 PolarHBondContact O-N 3.19Å
189C70.5Confident67.9Low93 Ų9389.6 Ų89.663%0.62851%0.511SS*.Hα-helixtrans-75.9-26.6175.7-72.20000112.9R185 M186 E187R185-C189 PolarHBondContact O-N 3.48Å; R185-C189 VanDerWaalsContact O-N 3.1Å; R185-C189 PolarHBondContact O-SG 3.42Å; R185-C189 VanDerWaalsContact O-SG 3.39Å; M186-C189 PolarHBondContact O-N 3.07Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 2.81Å
190V64.3Low65.4Low118 Ų11892 Ų9272%0.71554%0.537SS*.Hα-helixtrans-81.8-33179.5174.10000111.9M186 E187 K192M186-V190 WeakPolarHBondContact O-CG2 3.18Å; M186-V190 PolarHBondContact O-N 3.38Å; E187-V190 PolarHBondContact O-N 3.28Å; E187-V190 VanDerWaalsContact O-N 3.13Å; V190-K192 VanDerWaalsContact C-N 3.29Å; V190-K192 PolarHBondContact O-N 3.44Å
191D56.5Low62.6Low138 Ų13898.3 Ų98.374%0.73857%0.571SS**SBendtrans-80.6-3.5179.8-74.6-29.3000114.3E187 P193E187-D191 PolarHBondContact O-N 3.1Å; E187-D191 VanDerWaalsContact O-N 3.16Å; D191-P193 WeakPolarHBondContact O-CD 3.28Å
192K41.3Very low59.7Low167 Ų16799.5 Ų99.573%0.72660%0.595SS**SBendtrans-82.1116173.8-125174-176.7174.90108.8V190V190-K192 VanDerWaalsContact C-N 3.29Å; V190-K192 PolarHBondContact O-N 3.44Å
193P37.8Very low57.2Low107 Ų107104.6 Ų104.670%0.69564%0.638SS**PPolyproline II helixtrans-57.3144.2170.924-31.5000108.7D191 A195D191-P193 WeakPolarHBondContact O-CD 3.28Å; P193-A195 PolarHBondContact O-N 2.85Å; P193-A195 VanDerWaalsContact O-N 3.1Å
194P40.6Very low54.5Low116 Ų116109.2 Ų109.275%0.75368%0.676SS**PPolyproline II helixtrans-53126175.123-31.6000107.5D196P194-D196 PolarHBondContact O-N 2.98Å
195A46.7Very low51.9Low97 Ų97114.5 Ų114.580%0.80270%0.699SS**  trans-56.6114.5172.100000107P193P193-A195 PolarHBondContact O-N 2.85Å; P193-A195 VanDerWaalsContact O-N 3.1Å
196D41.2Very low49.4Very low148 Ų148120.3 Ų120.379%0.79173%0.734SS**  trans-49.7133.6175.2-85.2-39.6000108.8P194 A198P194-D196 PolarHBondContact O-N 2.98Å; D196-A198 PolarHBondContact O-N 2.91Å
197P44.3Very low46.9Very low117 Ų117121.3 Ų121.376%0.7676%0.758SS**  trans-63.3107.9168.227.3-29.9000106.2N199P197-N199 PolarHBondContact O-N 2.82Å
198A45.5Very low44.6Very low104 Ų104128.1 Ų128.186%0.8679%0.789SS**  trans-54.1104.5176.300000108.7D196D196-A198 PolarHBondContact O-N 2.91Å
199N37.5Very low42.4Very low160 Ų160124.6 Ų124.686%0.85679%0.791SS**  trans-61.7132-179.6-161.612000109.2P197P197-N199 PolarHBondContact O-N 2.82Å
200G43.7Very low40.6Very low56 Ų56127 Ų12758%0.57780%0.803SS**  trans-60.4138.2174.700000112
201N36.5Very low39.1Very low174 Ų174125.9 Ų125.993%0.9381%0.806SS**  trans-17194.6143.5-101.2-15.9000110
202G33.3Very low38.1Very low76 Ų76126.8 Ų126.878%0.78481%0.811SS**  trans-133.587.6164.600000108.3A204G202-A204 PolarHBondContact O-N 3.15Å; G202-A204 VanDerWaalsContact O-N 3.15Å
203A41.3Very low38.5Very low108 Ų108123.6 Ų123.689%0.89381%0.808SS**  trans-58.7111.7175.900000110.7
204A36.9Very low38.5Very low99 Ų99128.2 Ų128.282%0.81882%0.817SS**  trans-91.1108.6167.200000109.1G202G202-A204 PolarHBondContact O-N 3.15Å; G202-A204 VanDerWaalsContact O-N 3.15Å
205K36.3Very low38.2Very low205 Ų205133.8 Ų133.889%0.89182%0.823SS**  trans-55.4133.6168.9-89.4173.6166.3176.80110.8
206L35.2Very low37.6Very low182 Ų182134.8 Ų134.895%0.95382%0.823SS**  trans-61133.8159.9-86.388.5000110.1
207G33.8Very low37.4Very low75 Ų75132.1 Ų132.177%0.77382%0.821SS**  trans-137.3120.3164.600000109.5
208E34.2Very low37.1Very low209 Ų209136.3 Ų136.398%0.97785%0.851SS**  trans-64.4150.1175.4-71.1169.2104.200112.7
209G32.5Very low36.7Very low67 Ų67138 Ų13869%0.69185%0.85SS**  trans177.277.1172.700000115.7
210T32.3Very low36.6Very low143 Ų143136.8 Ų136.888%0.87785%0.85SS**  trans35.811414356.90000123
211A33.6Very low36.2Very low95 Ų95141.3 Ų141.379%0.78587%0.865SS**  trans25.2116.2134.600000123.8
212D35.7Very low36.2Very low157 Ų157139.4 Ų139.484%0.8486%0.861SS**  47165.7124.4-101.1-31.7000123.6
213P50.5Low36.4Very low101 Ų101143.3 Ų143.366%0.65687%0.866SS**  cis-137.3167.4-18.334-15.3000114.5
214K37.4Very low36.1Very low203 Ų203145.7 Ų145.788%0.88387%0.865SS**  trans-179.1100.9137.4-101169.6-169-178.30115
215R34.8Very low36Very low234 Ų234149 Ų14988%0.88387%0.868SS**  trans46117.7130.3-75.4-175.9176.5-172.5-1.3123.3
216C32.3Very low36Very low118 Ų118144.7 Ų144.780%0.79787%0.866SS**  73.6119.2120.3-70.30000123.8
217A37.1Very low36.1Very low92 Ų92141.6 Ų141.676%0.7686%0.859SS**  63112.6127.800000119.9
218C38.5Very low36.3Very low205 Ų205147.6 Ų147.6100%1.38587%0.867SS**  -177.2097.1-79.20000108.5

Retrieved 218 of 218 residues in 391.4 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).