A0A077Z3T7_TRITR Loading...

DNA 3'-5' helicase

AlphaFold DB , UniProt , Accession A0A077Z3T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.7Confident83.9Confident52 Ų5240.1 Ų40.126%0.25627%0.271SS..  0139.60-57.7-173.8-63.200109.8S5 K7 L140 T141 A142 N167M1-S5 WeakPolarHBondContact CB-OG 3.41Å; M1-K7 HydrophobicContact CB-CG 4.01Å; M1-K7 HydrophobicContact CE-CB 4.06Å; M1-K7 HydrophobicContact CE-CG 3.63Å; M1-L140 HydrophobicContact CE-CD2 4.39Å; M1-T141 PolarHBondContact N-O 3.22Å; M1-A142 WeakPolarHBondContact O-CA 3.31Å; M1-A142 WeakPolarHBondContact O-CB 3.46Å; M1-N167 HydrophobicContact CG-CB 4.48Å; M1-N167 WeakPolarHBondContact CG-OD1 3.11Å
2P78Confident84.8Confident14 Ų1438.2 Ų38.29%0.09126%0.255CS..  trans-52.8161.3-175.7-27.234.4000115.6G4 S5 K7 P168 Y311P2-G4 PolarHBondContact O-N 2.91Å; P2-S5 WeakPolarHBondContact O-CB 3.43Å; P2-S5 PolarHBondContact O-N 3.35Å; P2-S5 PolarHBondContact O-OG 3.31Å; P2-K7 PolarHBondContact O-NZ 3.48Å; P2-P168 WeakPolarHBondContact CG-O 3.41Å; P2-Y311 WeakPolarHBondContact CB-OH 3.46Å
3T72.9Confident85.6Confident17 Ų1742.7 Ų42.710%0.10427%0.274CS..THydrogen-bonded Turntrans-65.1132.4172.7-34.20000109.9S5T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.19Å
4G71.4Confident86.2Confident45 Ų4542.6 Ų42.646%0.46427%0.274SS..THydrogen-bonded Turntrans82.3-4.8-176.800000115.7P2 G6P2-G4 PolarHBondContact O-N 2.91Å; G4-G6 PolarHBondContact O-N 3.24Å
5S77.3Confident86.8Confident59 Ų5939.7 Ų39.741%0.41326%0.255SS..SBendtrans-76.214.5-179.777.90000114.7M1 P2 T3M1-S5 WeakPolarHBondContact CB-OG 3.41Å; P2-S5 WeakPolarHBondContact O-CB 3.43Å; P2-S5 PolarHBondContact O-N 3.35Å; P2-S5 PolarHBondContact O-OG 3.31Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.19Å
6G82.3Confident87.2Confident37 Ų3741.1 Ų41.138%0.38126%0.263SS..  trans8029.4-178.700000115.9G4 S8 L9G4-G6 PolarHBondContact O-N 3.24Å; G6-S8 PolarHBondContact O-N 3.18Å; G6-L9 WeakPolarHBondContact O-CB 3.49Å; G6-L9 PolarHBondContact O-N 2.91Å; G6-L9 VanDerWaalsContact O-N 3.09Å
7K88.3Confident87.5Confident15 Ų1547.7 Ų47.77%0.06529%0.292CS..THydrogen-bonded Turntrans-48.3-43.1174-70.8-168.1-63.5-71.60113.1M1 P2 L9 C10 L140M1-K7 HydrophobicContact CB-CG 4.01Å; M1-K7 HydrophobicContact CE-CB 4.06Å; M1-K7 HydrophobicContact CE-CG 3.63Å; P2-K7 PolarHBondContact O-NZ 3.48Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.34Å; K7-C10 WeakPolarHBondContact O-CB 3.45Å; K7-C10 PolarHBondContact O-N 3.04Å; K7-L140 HydrophobicContact CB-CD2 4.03Å; K7-L140 HydrophobicContact CD-CB 4.32Å; K7-L140 WeakPolarHBondContact O-CD2 3.3Å
8S90.6Very high87.7Confident27 Ų2749.4 Ų49.419%0.18930%0.296CS..THydrogen-bonded Turntrans-59.9-37.3-177.8-52.40000113.2G6 C10 Y11 Q12 Q35G6-S8 PolarHBondContact O-N 3.18Å; S8-C10 PolarHBondContact O-N 3.22Å; S8-Y11 VanDerWaalsContact CA-CE1 3.41Å; S8-Y11 WeakPolarHBondContact O-CD1 3.48Å; S8-Y11 PolarHBondContact O-N 3.49Å; S8-Q12 VanDerWaalsContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CG 3.14Å; S8-Q12 PolarHBondContact O-N 2.9Å; S8-Q35 PolarHBondContact OG-OE1 3.45Å
9L91.6Very high87.8Confident108 Ų10855.3 Ų55.357%0.56531%0.312SS*.Hα-helixtrans-62.5-34.4-178-172.563.4000112.1G6 K7 Y11 Q12 L13G6-L9 WeakPolarHBondContact O-CB 3.49Å; G6-L9 PolarHBondContact O-N 2.91Å; G6-L9 VanDerWaalsContact O-N 3.09Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.34Å; L9-Y11 PolarHBondContact O-N 2.91Å; L9-Q12 PolarHBondContact O-N 3.26Å; L9-L13 HydrophobicContact CD1-CB 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.25Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10C92.9Very high88.1Confident65 Ų6552.9 Ų52.944%0.43930%0.3SS..Hα-helixtrans-62.3-22.9-179-62.70000113.8K7 S8 P14 L140K7-C10 WeakPolarHBondContact O-CB 3.45Å; K7-C10 PolarHBondContact O-N 3.04Å; S8-C10 PolarHBondContact O-N 3.22Å; C10-P14 WeakPolarHBondContact O-CD 3.39Å; C10-P14 WeakPolarHBondContact O-CG 3.37Å; C10-L140 HydrophobicContact CB-CD2 4.23Å
11Y94Very high88.5Confident2 Ų250.3 Ų50.31%0.00829%0.285CS..Hα-helixtrans-111-28.4173.567.4-104.7000112.9S8 L9 A15 I24 L74 Y76 V104 L140S8-Y11 VanDerWaalsContact CA-CE1 3.41Å; S8-Y11 WeakPolarHBondContact O-CD1 3.48Å; S8-Y11 PolarHBondContact O-N 3.49Å; L9-Y11 PolarHBondContact O-N 2.91Å; Y11-A15 WeakPolarHBondContact O-CB 3.41Å; Y11-A15 PolarHBondContact O-N 3.38Å; Y11-I24 HydrophobicContact CD2-CG1 4.1Å; Y11-I24 HydrophobicContact CE2-CG1 3.94Å; Y11-I24 HydrophobicContact CE2-CG2 4.28Å; Y11-L74 HydrophobicContact CD2-CD2 4.35Å; Y11-L74 HydrophobicContact CE2-CD2 4.29Å; Y11-Y76 WeakPolarHBondContact CE2-OH 3.4Å; Y11-Y76 PolarHBondContact OH-OH 3.38Å; Y11-Y76 VanDerWaalsContact OH-OH 3.07Å; Y11-V104 HydrophobicContact CD1-CG1 3.73Å; Y11-V104 HydrophobicContact CD2-CG1 4.25Å; Y11-V104 HydrophobicContact CD2-CG2 4.49Å; Y11-V104 HydrophobicContact CE1-CG1 4.22Å; Y11-V104 HydrophobicContact CG-CG1 3.74Å; Y11-V104 HydrophobicContact CG-CG2 4.25Å; Y11-L140 HydrophobicContact CD1-CD1 3.73Å; Y11-L140 HydrophobicContact CD1-CD2 4.02Å; Y11-L140 HydrophobicContact CE1-CD1 4.33Å
12Q95Very high89.1Confident17 Ų1747.9 Ų47.98%0.07927%0.273CS..Hα-helixtrans-67.8-44.4-179.7-74170.5-1400112.2S8 L9 A15 V16 L39 L74 Y76S8-Q12 VanDerWaalsContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CB 3.31Å; S8-Q12 WeakPolarHBondContact O-CG 3.14Å; S8-Q12 PolarHBondContact O-N 2.9Å; L9-Q12 PolarHBondContact O-N 3.26Å; Q12-A15 PolarHBondContact O-N 2.9Å; Q12-V16 WeakPolarHBondContact O-CG2 3.18Å; Q12-V16 PolarHBondContact O-N 2.82Å; Q12-V16 VanDerWaalsContact O-N 3.11Å; Q12-L39 HydrophobicContact CG-CD2 4.17Å; Q12-L74 HydrophobicContact CB-CD2 4.4Å; Q12-L74 HydrophobicContact CG-CD2 3.81Å; Q12-Y76 PolarHBondContact NE2-OH 2.69Å
13L94.6Very high90.1Very high97 Ų9747.2 Ų47.251%0.50827%0.269SS..Hα-helixtrans-64.7-50.2-179.3177.567.8000111.6L9 A15 V16 M17L9-L13 HydrophobicContact CD1-CB 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.25Å; L9-L13 VanDerWaalsContact O-N 3.08Å; L13-A15 VanDerWaalsContact C-N 3.28Å; L13-A15 PolarHBondContact O-N 3.32Å; L13-V16 PolarHBondContact O-N 3.08Å; L13-M17 HydrophobicContact CD1-CG 4.49Å; L13-M17 HydrophobicContact CD1-SD 4.19Å; L13-M17 HydrophobicContact CG-SD 4.14Å; L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.11Å
14P94.6Very high91.2Very high41 Ų4146.4 Ų46.427%0.26626%0.264SS..Hα-helixtrans-58.9-36.6173.5-26.135.5000113.6C10 V16 M17 H18 Y102C10-P14 WeakPolarHBondContact O-CD 3.39Å; C10-P14 WeakPolarHBondContact O-CG 3.37Å; P14-V16 VanDerWaalsContact C-N 3.33Å; P14-V16 PolarHBondContact O-N 3.31Å; P14-M17 PolarHBondContact O-N 2.89Å; P14-H18 VanDerWaalsContact O-CB 3.31Å; P14-H18 WeakPolarHBondContact O-CB 3.42Å; P14-H18 PolarHBondContact O-N 3.06Å; P14-Y102 HydrophobicContact CB-CE2 4.02Å
15A94.8Very high92.3Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-63.2-37.917900000112.9Y11 Q12 L13 T22 L74Y11-A15 WeakPolarHBondContact O-CB 3.41Å; Y11-A15 PolarHBondContact O-N 3.38Å; Q12-A15 PolarHBondContact O-N 2.9Å; L13-A15 VanDerWaalsContact C-N 3.28Å; L13-A15 PolarHBondContact O-N 3.32Å; A15-T22 WeakPolarHBondContact CA-OG1 3.13Å; A15-T22 HydrophobicContact CB-CG2 4.07Å; A15-T22 WeakPolarHBondContact CB-OG1 3.31Å; A15-L74 HydrophobicContact CB-CD1 4.29Å; A15-L74 HydrophobicContact CB-CD2 4.01Å; A15-L74 HydrophobicContact CB-CG 3.89Å
16V93.1Very high92.9Very high62 Ų6241.4 Ų41.438%0.37622%0.222SC..Hα-helixtrans-71.6-39.6177.5174.70000111Q12 L13 P14 V44 L74Q12-V16 WeakPolarHBondContact O-CG2 3.18Å; Q12-V16 PolarHBondContact O-N 2.82Å; Q12-V16 VanDerWaalsContact O-N 3.11Å; L13-V16 PolarHBondContact O-N 3.08Å; P14-V16 VanDerWaalsContact C-N 3.33Å; P14-V16 PolarHBondContact O-N 3.31Å; V16-V44 HydrophobicContact CG2-CG1 3.68Å; V16-V44 HydrophobicContact CG2-CG2 4.21Å; V16-L74 HydrophobicContact CG2-CD1 4.36Å
17M92.4Very high93Very high153 Ų15339.8 Ų39.875%0.75421%0.205SC*.Hα-helixtrans-72.8-33.6-179.2-66.3179.170.600113.2L13 P14L13-M17 HydrophobicContact CD1-CG 4.49Å; L13-M17 HydrophobicContact CD1-SD 4.19Å; L13-M17 HydrophobicContact CG-SD 4.14Å; L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.11Å; P14-M17 PolarHBondContact O-N 2.89Å
18H90.4Very high92.5Very high78 Ų7841.3 Ų41.336%0.36121%0.214SC..SBendtrans-77.8154.2-176.7-158.3-85.6000112.3P14 K73 A101 Y102P14-H18 VanDerWaalsContact O-CB 3.31Å; P14-H18 WeakPolarHBondContact O-CB 3.42Å; P14-H18 PolarHBondContact O-N 3.06Å; H18-K73 PolarHBondContact O-NZ 3.38Å; H18-A101 HydrophobicContact CB-CB 4.29Å; H18-A101 WeakPolarHBondContact ND1-CB 3.45Å; H18-Y102 HydrophobicContact CB-CE2 3.78Å; H18-Y102 AromaticContact CD2-CZ 3.83Å; H18-Y102 PolarHBondContact CD2-OH 2.8Å
19R90.1Very high92Very high162 Ų16242.9 Ų42.961%0.61122%0.219SC*.SBendtrans-76.1139.3170.5-172.3177174.9-174.3-2.6110L99R19-L99 HydrophobicContact CG-CD2 4.33Å
20G93.6Very high91.1Very high6 Ų640.6 Ų40.66%0.06222%0.215CC..SBendtrans93.2-155.7-179.500000113.9L99G20-L99 CarbonylContact C-O 3.46Å; G20-L99 WeakPolarHBondContact CA-O 3.34Å
21V96.5Very high90.5Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-122.3130.6-167.8-168.20000109.6I23 L65 P70 T72 L75 L94 L99 A101V21-I23 HydrophobicContact CG1-CD1 4.19Å; V21-L65 HydrophobicContact CG1-CD2 4.16Å; V21-L65 HydrophobicContact CG2-CD2 4.03Å; V21-P70 HydrophobicContact CG2-CB 3.88Å; V21-P70 HydrophobicContact CG2-CG 3.99Å; V21-T72 WeakPolarHBondContact CG2-O 3.22Å; V21-L75 HydrophobicContact CG1-CB 4Å; V21-L94 HydrophobicContact CB-CD1 4.11Å; V21-L94 HydrophobicContact CB-CD2 4.48Å; V21-L94 HydrophobicContact CG2-CD1 4.16Å; V21-L94 HydrophobicContact CG2-CD2 3.74Å; V21-L99 PolarHBondContact N-O 2.91Å; V21-A101 PolarHBondContact O-N 2.85Å
22T97.4Very high90.1Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-92.9131.7171-61.10000109.7A15 I24 K73 L75 Y102 V104A15-T22 WeakPolarHBondContact CA-OG1 3.13Å; A15-T22 HydrophobicContact CB-CG2 4.07Å; A15-T22 WeakPolarHBondContact CB-OG1 3.31Å; T22-I24 HydrophobicContact CG2-CD1 4.03Å; T22-I24 HydrophobicContact CG2-CG1 4.18Å; T22-I24 WeakPolarHBondContact O-CD1 3.34Å; T22-K73 PolarHBondContact N-O 3.43Å; T22-L75 PolarHBondContact O-N 2.96Å; T22-Y102 HydrophobicContact CG2-CD2 4.32Å; T22-Y102 WeakPolarHBondContact OG1-CD2 3.46Å; T22-V104 HydrophobicContact CG2-CG2 3.63Å
23I97.1Very high89.5Confident0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-101.3123.4179.9-50.4-59.8000108.6V21 F25 L75 V77 F87 I91 L94 L100 Y102 F103 V104V21-I23 HydrophobicContact CG1-CD1 4.19Å; I23-F25 HydrophobicContact CG2-CE1 3.99Å; I23-F25 HydrophobicContact CG2-CE2 4.25Å; I23-F25 HydrophobicContact CG2-CZ 3.79Å; I23-L75 WeakPolarHBondContact CA-O 3.43Å; I23-L75 HydrophobicContact CD1-CB 3.98Å; I23-L75 HydrophobicContact CD1-CD2 3.97Å; I23-L75 HydrophobicContact CD1-CG 4.45Å; I23-V77 HydrophobicContact CG2-CG2 4.3Å; I23-F87 HydrophobicContact CG2-CE2 3.94Å; I23-F87 HydrophobicContact CG2-CZ 4.1Å; I23-I91 HydrophobicContact CD1-CD1 3.53Å; I23-I91 HydrophobicContact CG1-CD1 3.55Å; I23-I91 HydrophobicContact CG2-CD1 4.46Å; I23-L94 HydrophobicContact CD1-CD1 4.44Å; I23-L100 HydrophobicContact CD1-CD1 4.18Å; I23-L100 HydrophobicContact CG1-CD1 3.53Å; I23-Y102 PolarHBondContact N-O 2.82Å; I23-F103 HydrophobicContact CB-CD1 3.67Å; I23-F103 HydrophobicContact CB-CE1 3.84Å; I23-F103 HydrophobicContact CG1-CD1 4.14Å; I23-F103 HydrophobicContact CG1-CE1 3.88Å; I23-F103 HydrophobicContact CG2-CD1 3.99Å; I23-F103 HydrophobicContact CG2-CE1 4Å; I23-V104 PolarHBondContact O-N 3.5Å
24I96.5Very high88.9Confident0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-116.3112.1-176.9-52.492.1000109.2Y11 T22 L74 L75 Y76 V77 V104 D106Y11-I24 HydrophobicContact CD2-CG1 4.1Å; Y11-I24 HydrophobicContact CE2-CG1 3.94Å; Y11-I24 HydrophobicContact CE2-CG2 4.28Å; T22-I24 HydrophobicContact CG2-CD1 4.03Å; T22-I24 HydrophobicContact CG2-CG1 4.18Å; T22-I24 WeakPolarHBondContact O-CD1 3.34Å; I24-L74 HydrophobicContact CD1-CB 3.71Å; I24-L74 HydrophobicContact CD1-CD2 3.91Å; I24-L74 HydrophobicContact CD1-CG 4.19Å; I24-L75 PolarHBondContact N-O 3.34Å; I24-Y76 HydrophobicContact CB-CD1 3.81Å; I24-Y76 HydrophobicContact CB-CE1 3.92Å; I24-Y76 HydrophobicContact CB-CG 4.27Å; I24-Y76 HydrophobicContact CD1-CD2 4.36Å; I24-Y76 HydrophobicContact CD1-CE2 4.24Å; I24-Y76 HydrophobicContact CG1-CE1 4.39Å; I24-Y76 HydrophobicContact CG2-CD1 3.78Å; I24-Y76 HydrophobicContact CG2-CE1 3.61Å; I24-Y76 CarbonylContact O-C 3.59Å; I24-Y76 WeakPolarHBondContact O-CA 3.45Å; I24-V77 PolarHBondContact O-N 2.84Å; I24-V104 CarbonylContact C-O 3.52Å; I24-V104 WeakPolarHBondContact CA-O 3.5Å; I24-V104 HydrophobicContact CB-CB 4.37Å; I24-V104 HydrophobicContact CG1-CB 4.05Å; I24-V104 HydrophobicContact CG1-CG2 4.38Å; I24-V104 HydrophobicContact CG2-CB 4.24Å; I24-V104 HydrophobicContact CG2-CG1 4.14Å; I24-D106 HydrophobicContact CG2-CB 4.37Å
25F94.7Very high88.6Confident0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-83.2121.6171.9-55.1-71.6000109.4I23 V77 A82 F87 F103 V104 V105 D106 L125 L128I23-F25 HydrophobicContact CG2-CE1 3.99Å; I23-F25 HydrophobicContact CG2-CE2 4.25Å; I23-F25 HydrophobicContact CG2-CZ 3.79Å; F25-V77 VanDerWaalsContact CA-O 3.31Å; F25-V77 WeakPolarHBondContact CA-O 3.43Å; F25-V77 HydrophobicContact CD1-CB 4.44Å; F25-A82 HydrophobicContact CD1-CB 4.06Å; F25-A82 HydrophobicContact CE1-CB 3.61Å; F25-F87 HydrophobicContact CE1-CE1 4.48Å; F25-F87 HydrophobicContact CE1-CE2 4.34Å; F25-F87 AromaticContact CE1-CZ 3.77Å; F25-F87 HydrophobicContact CE1-CZ 3.77Å; F25-F87 AromaticContact CZ-CZ 3.95Å; F25-F87 HydrophobicContact CZ-CZ 3.95Å; F25-F103 HydrophobicContact CE2-CB 4.29Å; F25-F103 AromaticContact CE2-CD1 3.44Å; F25-F103 HydrophobicContact CE2-CD1 3.44Å; F25-F103 VanDerWaalsContact CE2-CD1 3.44Å; F25-F103 HydrophobicContact CE2-CE1 4.13Å; F25-F103 HydrophobicContact CE2-CG 4.21Å; F25-F103 AromaticContact CZ-CD1 3.66Å; F25-F103 HydrophobicContact CZ-CD1 3.66Å; F25-F103 AromaticContact CZ-CE1 3.86Å; F25-F103 HydrophobicContact CZ-CE1 3.86Å; F25-V104 WeakPolarHBondContact CD2-O 3.14Å; F25-V104 PolarHBondContact N-O 2.91Å; F25-V105 HydrophobicContact CD2-CG2 4.14Å; F25-D106 WeakPolarHBondContact O-CB 3.5Å; F25-D106 PolarHBondContact O-N 3.34Å; F25-L125 HydrophobicContact CB-CD1 4.03Å; F25-L125 HydrophobicContact CD1-CD1 4.29Å; F25-L125 HydrophobicContact CD1-CD2 3.78Å; F25-L125 HydrophobicContact CD2-CD1 4.05Å; F25-L125 HydrophobicContact CD2-CD2 4.39Å; F25-L125 HydrophobicContact CE1-CD2 3.71Å; F25-L125 HydrophobicContact CE2-CD2 4.29Å; F25-L125 HydrophobicContact CG-CD1 3.86Å; F25-L125 HydrophobicContact CG-CD2 4.13Å; F25-L125 HydrophobicContact CZ-CD2 3.97Å; F25-L128 HydrophobicContact CE1-CD1 4.27Å; F25-L128 HydrophobicContact CE2-CD1 4.4Å; F25-L128 HydrophobicContact CZ-CD1 3.62Å
26S91.2Very high88.4Confident0 Ų036.7 Ų36.70%019%0.192CC..  trans-137.1143.5179.4170.80000109.7L28 L31 M32 V77 P79S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.84Å; S26-L31 WeakPolarHBondContact OG-CD2 3.41Å; S26-M32 WeakPolarHBondContact O-CE 3.42Å; S26-V77 PolarHBondContact N-O 2.75Å; S26-V77 VanDerWaalsContact N-O 3.12Å; S26-P79 WeakPolarHBondContact O-CD 3.34Å
27P82.8Confident88.1Confident3 Ų339.3 Ų39.32%0.01920%0.198CC..SBendtrans-75.8-21.8-169.228.6-33.6000112.5E107 R119 Y122 M265P27-E107 HydrophobicContact CG-CB 4.17Å; P27-E107 HydrophobicContact CG-CG 4.43Å; P27-R119 VanDerWaalsContact O-CZ 3.31Å; P27-R119 PolarHBondContact O-NH1 2.95Å; P27-R119 PolarHBondContact O-NH2 3.36Å; P27-Y122 HydrophobicContact CB-CE2 4.16Å; P27-Y122 WeakPolarHBondContact CD-OH 3.17Å; P27-M265 HydrophobicContact CB-CE 4.26Å; P27-M265 HydrophobicContact CG-CE 3.76Å
28L79.3Confident87.8Confident47 Ų4735.8 Ų35.825%0.24618%0.18CC..  trans-132.3135.5-171.2-69.7-172.1000113.7S26 A30 L31 M32 M265S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.84Å; L28-A30 PolarHBondContact O-N 3.33Å; L28-L31 HydrophobicContact CB-CB 4.3Å; L28-L31 PolarHBondContact O-N 3.07Å; L28-L31 VanDerWaalsContact O-N 3.14Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.36Å; L28-M32 VanDerWaalsContact O-N 3.1Å; L28-M265 HydrophobicContact CD1-CB 3.17Å; L28-M265 HydrophobicContact CD1-CE 3.47Å; L28-M265 VanDerWaalsContact CD1-CE 3.47Å; L28-M265 HydrophobicContact CD1-CG 3.98Å; L28-M265 HydrophobicContact CD1-SD 3.6Å; L28-M265 VanDerWaalsContact CD1-SD 3.6Å; L28-M265 HydrophobicContact CG-CB 4.41Å; L28-M265 HydrophobicContact CG-CE 3.61Å; L28-M265 HydrophobicContact CG-SD 4.27Å
29I78.4Confident87.9Confident60 Ų6032.2 Ų32.231%0.30816%0.163SC..Hα-helixtrans-58.5-36.4172.4-57.9172.8000111.3L31 M32 S33 Y50 T78I29-L31 PolarHBondContact O-N 3.45Å; I29-M32 PolarHBondContact O-N 2.99Å; I29-S33 WeakPolarHBondContact O-CB 3.35Å; I29-S33 PolarHBondContact O-N 2.85Å; I29-Y50 HydrophobicContact CD1-CG 4.45Å; I29-Y50 HydrophobicContact CG1-CG 4.46Å; I29-Y50 HydrophobicContact CG2-CD1 4.18Å; I29-Y50 HydrophobicContact CG2-CD2 4.4Å; I29-Y50 HydrophobicContact CG2-CE1 4.21Å; I29-Y50 HydrophobicContact CG2-CG 4.29Å; I29-T78 HydrophobicContact CG1-CG2 4.19Å
30A74.2Confident88Confident59 Ų5929 Ų2949%0.48816%0.155SC..Hα-helixtrans-62.5-42.6177.700000112.1L28 S33 D34L28-A30 PolarHBondContact O-N 3.33Å; A30-S33 PolarHBondContact O-N 2.85Å; A30-D34 PolarHBondContact O-N 2.98Å; A30-D34 VanDerWaalsContact O-N 3.1Å
31L78.9Confident87.9Confident21 Ų2136.5 Ų36.511%0.1119%0.186CC..Hα-helixtrans-66.6-43.4177.5-173.664.5000110.7S26 L28 I29 S33 D34 Q35 E107S26-L31 WeakPolarHBondContact OG-CD2 3.41Å; L28-L31 HydrophobicContact CB-CB 4.3Å; L28-L31 PolarHBondContact O-N 3.07Å; L28-L31 VanDerWaalsContact O-N 3.14Å; I29-L31 PolarHBondContact O-N 3.45Å; L31-S33 PolarHBondContact O-N 2.82Å; L31-D34 PolarHBondContact O-N 3.5Å; L31-Q35 WeakPolarHBondContact O-CG 3.2Å; L31-Q35 PolarHBondContact O-N 3.31Å; L31-Q35 VanDerWaalsContact O-N 3.09Å; L31-E107 HydrophobicContact CD2-CG 4.34Å
32M85.9Confident87.7Confident0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-59.8-47.2174.6-61.2175-175.600111.8S26 L28 I29 D34 Q35 L36 Y76 V77 T78S26-M32 WeakPolarHBondContact O-CE 3.42Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.36Å; L28-M32 VanDerWaalsContact O-N 3.1Å; I29-M32 PolarHBondContact O-N 2.99Å; M32-D34 VanDerWaalsContact C-N 3.28Å; M32-D34 PolarHBondContact O-N 3.06Å; M32-Q35 PolarHBondContact O-N 3.04Å; M32-L36 WeakPolarHBondContact O-CB 3.43Å; M32-L36 VanDerWaalsContact O-CG 3.27Å; M32-L36 WeakPolarHBondContact O-CG 3.4Å; M32-L36 PolarHBondContact O-N 3.11Å; M32-Y76 HydrophobicContact CB-CD1 4.34Å; M32-Y76 HydrophobicContact CB-CG 4.35Å; M32-Y76 HydrophobicContact CG-CD1 3.95Å; M32-Y76 HydrophobicContact CG-CG 4.21Å; M32-V77 WeakPolarHBondContact CE-O 3Å; M32-T78 HydrophobicContact CE-CG2 3.62Å; M32-T78 HydrophobicContact SD-CG2 4.13Å
33S83.5Confident87.5Confident42 Ų4248.5 Ų48.529%0.29425%0.25SC..Hα-helixtrans-59.8-39.9-179.2-174.50000111.8I29 A30 L31 L36 K37I29-S33 WeakPolarHBondContact O-CB 3.35Å; I29-S33 PolarHBondContact O-N 2.85Å; A30-S33 PolarHBondContact O-N 2.85Å; L31-S33 PolarHBondContact O-N 2.82Å; S33-L36 PolarHBondContact O-N 2.89Å; S33-K37 WeakPolarHBondContact O-CB 3.2Å; S33-K37 VanDerWaalsContact O-CG 3.26Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 3.43Å
34D81Confident87.3Confident45 Ų4549.7 Ų49.724%0.24126%0.257CS..Hα-helixtrans-62.8-48.5174.9-17564.8000111.9A30 L31 M32 L36 K37 H38A30-D34 PolarHBondContact O-N 2.98Å; A30-D34 VanDerWaalsContact O-N 3.1Å; L31-D34 PolarHBondContact O-N 3.5Å; M32-D34 VanDerWaalsContact C-N 3.28Å; M32-D34 PolarHBondContact O-N 3.06Å; D34-L36 PolarHBondContact O-N 3.2Å; D34-K37 PolarHBondContact O-N 3.29Å; D34-H38 PolarHBondContact O-N 2.86Å
35Q88Confident87.2Confident16 Ų1654.8 Ų54.88%0.07528%0.281CS..Hα-helixtrans-61.9-41.3176.9-63.3-58.3-64.500112.3S8 L31 M32 H38 L39 Y76S8-Q35 PolarHBondContact OG-OE1 3.45Å; L31-Q35 WeakPolarHBondContact O-CG 3.2Å; L31-Q35 PolarHBondContact O-N 3.31Å; L31-Q35 VanDerWaalsContact O-N 3.09Å; M32-Q35 PolarHBondContact O-N 3.04Å; Q35-H38 PolarHBondContact O-N 3.3Å; Q35-L39 WeakPolarHBondContact O-CB 3.49Å; Q35-L39 VanDerWaalsContact O-CG 3.26Å; Q35-L39 WeakPolarHBondContact O-CG 3.4Å; Q35-L39 PolarHBondContact O-N 3.1Å; Q35-Y76 HydrophobicContact CB-CE1 4.04Å; Q35-Y76 HydrophobicContact CB-CE2 4.28Å; Q35-Y76 WeakPolarHBondContact CB-OH 3.33Å; Q35-Y76 HydrophobicContact CG-CE1 4.19Å
36L90.5Very high87.2Confident17 Ų1755.1 Ų55.19%0.08928%0.284CS..Hα-helixtrans-62.4-45.7176.7-69.9174.5000111.8M32 S33 D34 H38 L39 H40 A46 S48 Y76M32-L36 WeakPolarHBondContact O-CB 3.43Å; M32-L36 VanDerWaalsContact O-CG 3.27Å; M32-L36 WeakPolarHBondContact O-CG 3.4Å; M32-L36 PolarHBondContact O-N 3.11Å; S33-L36 PolarHBondContact O-N 2.89Å; D34-L36 PolarHBondContact O-N 3.2Å; L36-H38 VanDerWaalsContact C-N 3.27Å; L36-H38 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 3.08Å; L36-H40 WeakPolarHBondContact O-CB 3.19Å; L36-H40 VanDerWaalsContact O-CG 3.22Å; L36-H40 PolarHBondContact O-N 2.99Å; L36-A46 HydrophobicContact CD2-CB 3.53Å; L36-S48 VanDerWaalsContact CD1-OG 3.22Å; L36-S48 WeakPolarHBondContact CD1-OG 3.38Å; L36-Y76 HydrophobicContact CD2-CD2 3.89Å; L36-Y76 HydrophobicContact CD2-CE2 4.28Å; L36-Y76 HydrophobicContact CG-CD2 4.42Å
37K86.8Confident87.3Confident116 Ų11656 Ų5650%0.50429%0.291SS..Hα-helixtrans-58.8-41175.8-74.5169.9-173.9173.90111.4S33 D34 K41S33-K37 WeakPolarHBondContact O-CB 3.2Å; S33-K37 VanDerWaalsContact O-CG 3.26Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 3.43Å; D34-K37 PolarHBondContact O-N 3.29Å; K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.47Å; K37-K41 PolarHBondContact O-N 3.26Å
38H86.9Confident87.8Confident79 Ų7956.3 Ų56.337%0.36629%0.293SS..Hα-helixtrans-65.6-47.5176.6-17680000111.9D34 Q35 L36 K41 L42D34-H38 PolarHBondContact O-N 2.86Å; Q35-H38 PolarHBondContact O-N 3.3Å; L36-H38 VanDerWaalsContact C-N 3.27Å; L36-H38 PolarHBondContact O-N 2.87Å; H38-K41 WeakPolarHBondContact O-CB 3.46Å; H38-K41 PolarHBondContact O-N 3.16Å; H38-L42 PolarHBondContact O-N 2.9Å
39L92.5Very high88.1Confident4 Ų454.1 Ų54.12%0.02128%0.282CS..Hα-helixtrans-63.8-42.4179.8-72.1166.4000112.3Q12 Q35 L36 K41 L42 N43 V44 A46 L74 Y76Q12-L39 HydrophobicContact CG-CD2 4.17Å; Q35-L39 WeakPolarHBondContact O-CB 3.49Å; Q35-L39 VanDerWaalsContact O-CG 3.26Å; Q35-L39 WeakPolarHBondContact O-CG 3.4Å; Q35-L39 PolarHBondContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 3.08Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.29Å; L39-L42 CarbonylContact O-C 3.55Å; L39-L42 WeakPolarHBondContact O-CA 3.29Å; L39-L42 PolarHBondContact O-N 3.13Å; L39-N43 PolarHBondContact O-N 3.4Å; L39-V44 HydrophobicContact CB-CB 4.17Å; L39-V44 HydrophobicContact CD2-CB 4.02Å; L39-V44 HydrophobicContact CD2-CG1 3.98Å; L39-V44 HydrophobicContact CD2-CG2 4.41Å; L39-V44 PolarHBondContact O-N 2.73Å; L39-A46 HydrophobicContact CB-CB 4.06Å; L39-A46 HydrophobicContact CD1-CB 3.6Å; L39-A46 HydrophobicContact CG-CB 4.45Å; L39-L74 HydrophobicContact CD1-CD1 4.41Å; L39-L74 HydrophobicContact CD1-CD2 4.24Å; L39-Y76 HydrophobicContact CD1-CE2 3.86Å
40H92.2Very high88.3Confident95 Ų9553.7 Ų53.744%0.4428%0.277SS..Hα-helixtrans-63.9-36.5176.8-68168.1000112.3L36 L42 N43 A46L36-H40 WeakPolarHBondContact O-CB 3.19Å; L36-H40 VanDerWaalsContact O-CG 3.22Å; L36-H40 PolarHBondContact O-N 2.99Å; H40-L42 PolarHBondContact O-N 3.27Å; H40-N43 PolarHBondContact O-N 3.47Å; H40-A46 PolarHBondContact NE2-O 3.18Å
41K90.8Very high88.1Confident162 Ų16255.2 Ų55.270%0.70428%0.283SS*.Hα-helixtrans-62.7-27.6172.6-76173-178.8179.20112.9K37 H38 L39 N43K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.47Å; K37-K41 PolarHBondContact O-N 3.26Å; H38-K41 WeakPolarHBondContact O-CB 3.46Å; H38-K41 PolarHBondContact O-N 3.16Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.29Å; K41-N43 VanDerWaalsContact C-N 3.29Å
42L92.3Very high87.9Confident108 Ų10861.7 Ų61.757%0.56531%0.311SS*.THydrogen-bonded Turntrans-90.610.3174.5-63.1176.1000112.6H38 L39 H40 V44H38-L42 PolarHBondContact O-N 2.9Å; L39-L42 CarbonylContact O-C 3.55Å; L39-L42 WeakPolarHBondContact O-CA 3.29Å; L39-L42 PolarHBondContact O-N 3.13Å; H40-L42 PolarHBondContact O-N 3.27Å; L42-V44 HydrophobicContact CB-CG2 4.21Å; L42-V44 PolarHBondContact O-N 3.47Å
43N93.2Very high87.5Confident144 Ų14463.3 Ų63.377%0.7732%0.319SS*.THydrogen-bonded Turntrans57.822.9-174.6-61.9-45.7000114.4L39 H40 K41L39-N43 PolarHBondContact O-N 3.4Å; H40-N43 PolarHBondContact O-N 3.47Å; K41-N43 VanDerWaalsContact C-N 3.29Å
44V93.9Very high87.5Confident26 Ų2663.9 Ų63.916%0.15832%0.323CS..  trans-85.9124.6174.1179.80000109.5V16 L39 L42 A46 L74V16-V44 HydrophobicContact CG2-CG1 3.68Å; V16-V44 HydrophobicContact CG2-CG2 4.21Å; L39-V44 HydrophobicContact CB-CB 4.17Å; L39-V44 HydrophobicContact CD2-CB 4.02Å; L39-V44 HydrophobicContact CD2-CG1 3.98Å; L39-V44 HydrophobicContact CD2-CG2 4.41Å; L39-V44 PolarHBondContact O-N 2.73Å; L42-V44 HydrophobicContact CB-CG2 4.21Å; L42-V44 PolarHBondContact O-N 3.47Å; V44-A46 PolarHBondContact O-N 3.03Å; V44-A46 VanDerWaalsContact O-N 3.11Å; V44-L74 HydrophobicContact CG1-CD1 3.65Å
45Q93.6Very high87.7Confident106 Ų10667.2 Ų67.250%0.49535%0.345SS..  trans-74.8102.2178.4-65.3-60.8-43.400110.5R71 K73Q45-R71 VanDerWaalsContact CB-O 3.22Å; Q45-R71 WeakPolarHBondContact CB-O 3.26Å; Q45-K73 PolarHBondContact O-N 3.09Å
46A95Very high87.8Confident8 Ų873.6 Ų73.67%0.06637%0.373CS..EExtended strand (participates in β ladder)trans-128147.9176.400000110.1L36 L39 H40 V44 L74L36-A46 HydrophobicContact CD2-CB 3.53Å; L39-A46 HydrophobicContact CB-CB 4.06Å; L39-A46 HydrophobicContact CD1-CB 3.6Å; L39-A46 HydrophobicContact CG-CB 4.45Å; H40-A46 PolarHBondContact NE2-O 3.18Å; V44-A46 PolarHBondContact O-N 3.03Å; V44-A46 VanDerWaalsContact O-N 3.11Å; A46-L74 CarbonylContact C-O 3.42Å; A46-L74 WeakPolarHBondContact CA-O 3.14Å; A46-L74 HydrophobicContact CB-CB 3.92Å; A46-L74 HydrophobicContact CB-CD1 4.42Å
47A94.2Very high87.7Confident19 Ų1977.5 Ų77.516%0.15739%0.391CS..EExtended strand (participates in β ladder)trans-138.1170.6178.200000110.2L61 T72 L74 L75 Y76A47-L61 HydrophobicContact CB-CD1 3.47Å; A47-L61 VanDerWaalsContact CB-CD1 3.47Å; A47-L61 HydrophobicContact CB-CD2 4.27Å; A47-L61 HydrophobicContact CB-CG 4.49Å; A47-T72 HydrophobicContact CB-CG2 3.93Å; A47-L74 PolarHBondContact N-O 2.9Å; A47-L75 HydrophobicContact CB-CD1 4.27Å; A47-L75 CarbonylContact O-C 3.5Å; A47-L75 WeakPolarHBondContact O-CA 3.49Å; A47-Y76 PolarHBondContact O-N 3.37Å
48S92.5Very high87.8Confident8 Ų875 Ų756%0.05638%0.378CS..EExtended strand (participates in β ladder)trans-137.8141.6176.354.50000110.6L36 Y50 L53 Y76L36-S48 VanDerWaalsContact CD1-OG 3.22Å; L36-S48 WeakPolarHBondContact CD1-OG 3.38Å; S48-Y50 VanDerWaalsContact OG-CD1 3.31Å; S48-Y50 WeakPolarHBondContact OG-CD1 3.38Å; S48-Y50 WeakPolarHBondContact OG-CE1 3.29Å; S48-L53 WeakPolarHBondContact O-CD1 3.36Å; S48-Y76 CarbonylContact C-O 3.4Å; S48-Y76 WeakPolarHBondContact CA-O 3.5Å
49L86.8Confident88Confident2 Ų277.3 Ų77.31%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-104.1104173.9-169.170.6000109.3L61 L75 Y76 V77 F87L49-L61 HydrophobicContact CD1-CD2 4.26Å; L49-L75 HydrophobicContact CB-CD1 4.35Å; L49-Y76 PolarHBondContact N-O 3.35Å; L49-V77 HydrophobicContact CB-CG2 4.24Å; L49-F87 HydrophobicContact CD2-CB 4.28Å; L49-F87 HydrophobicContact CD2-CD2 4.45Å
50Y81.1Confident88Confident51 Ų5182.6 Ų82.620%0.241%0.413CS..  trans-141.4166.9173.960-104000111.6I29 S48 K52 L53I29-Y50 HydrophobicContact CD1-CG 4.45Å; I29-Y50 HydrophobicContact CG1-CG 4.46Å; I29-Y50 HydrophobicContact CG2-CD1 4.18Å; I29-Y50 HydrophobicContact CG2-CD2 4.4Å; I29-Y50 HydrophobicContact CG2-CE1 4.21Å; I29-Y50 HydrophobicContact CG2-CG 4.29Å; S48-Y50 VanDerWaalsContact OG-CD1 3.31Å; S48-Y50 WeakPolarHBondContact OG-CD1 3.38Å; S48-Y50 WeakPolarHBondContact OG-CE1 3.29Å; Y50-K52 VanDerWaalsContact C-N 3.28Å; Y50-K52 HydrophobicContact CD2-CB 3.84Å; Y50-K52 HydrophobicContact CE2-CB 3.71Å; Y50-K52 PolarHBondContact O-N 3.21Å; Y50-L53 HydrophobicContact CE2-CG 4.3Å; Y50-L53 PolarHBondContact O-N 3.17Å
51S70.6Confident88.1Confident90 Ų9078.9 Ų78.963%0.62940%0.397SS*.THydrogen-bonded Turntrans-65.2-22.2-168.853.80000115.8
52K74.4Confident88.1Confident158 Ų15873.8 Ų73.869%0.68738%0.377SS*.THydrogen-bonded Turntrans-91.32.4-177.1-64.7-177179.4-177.50115.2Y50Y50-K52 VanDerWaalsContact C-N 3.28Å; Y50-K52 HydrophobicContact CD2-CB 3.84Å; Y50-K52 HydrophobicContact CE2-CB 3.71Å; Y50-K52 PolarHBondContact O-N 3.21Å
53L78Confident88.2Confident34 Ų3472.5 Ų72.518%0.17838%0.376CS..SBendtrans-64.1139.2172.2-79.5173.1000110.3S48 Y50 E57 R58 L61S48-L53 WeakPolarHBondContact O-CD1 3.36Å; Y50-L53 HydrophobicContact CE2-CG 4.3Å; Y50-L53 PolarHBondContact O-N 3.17Å; L53-E57 HydrophobicContact CD2-CB 4.07Å; L53-R58 HydrophobicContact CB-CB 4.45Å; L53-L61 HydrophobicContact CD1-CD2 4.46Å
54S83.3Confident88.2Confident54 Ų5466.2 Ų66.238%0.37834%0.343SS..  trans-63.3153.1170.768.80000110.6K56 E57 R58S54-K56 PolarHBondContact O-N 3.23Å; S54-E57 WeakPolarHBondContact CB-OE2 3.28Å; S54-E57 PolarHBondContact N-OE2 2.9Å; S54-E57 PolarHBondContact O-N 3.27Å; S54-E57 WeakPolarHBondContact OG-CB 3.15Å; S54-E57 WeakPolarHBondContact OG-CG 3.46Å; S54-E57 PolarHBondContact OG-N 3.31Å; S54-E57 PolarHBondContact OG-OE2 2.89Å; S54-R58 WeakPolarHBondContact O-CB 3.42Å; S54-R58 PolarHBondContact O-N 3.28Å
55T85.4Confident88.2Confident114 Ų11465.4 Ų65.470%0.69934%0.337SS*.Hα-helixtrans-53.8-38.9177.3-49.20000111.5Q59T55-Q59 WeakPolarHBondContact O-CB 3.4Å; T55-Q59 PolarHBondContact O-N 3.32Å
56K89.4Confident88Confident151 Ų15162.9 Ų62.966%0.65734%0.339SS*.Hα-helixtrans-65.3-49.9178.6-170.6-179-178.9-179.20112.1S54 R58 Q59 Q60S54-K56 PolarHBondContact O-N 3.23Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 2.85Å; K56-Q59 PolarHBondContact O-N 2.98Å; K56-Q60 WeakPolarHBondContact O-CG 3.34Å; K56-Q60 PolarHBondContact O-N 3.3Å
57E89.1Confident87.8Confident99 Ų9967.9 Ų67.946%0.46336%0.357SS..Hα-helixtrans-63.1-41.9178.4-70.5163.7139.200111.4L53 S54 Q59 Q60 L61L53-E57 HydrophobicContact CD2-CB 4.07Å; S54-E57 WeakPolarHBondContact CB-OE2 3.28Å; S54-E57 PolarHBondContact N-OE2 2.9Å; S54-E57 PolarHBondContact O-N 3.27Å; S54-E57 WeakPolarHBondContact OG-CB 3.15Å; S54-E57 WeakPolarHBondContact OG-CG 3.46Å; S54-E57 PolarHBondContact OG-N 3.31Å; S54-E57 PolarHBondContact OG-OE2 2.89Å; E57-Q59 VanDerWaalsContact C-N 3.34Å; E57-Q59 PolarHBondContact O-N 2.9Å; E57-Q60 PolarHBondContact O-N 3.03Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 PolarHBondContact O-N 3.08Å
58R89.1Confident87.4Confident64 Ų6472.8 Ų72.824%0.24238%0.384CS..Hα-helixtrans-59.6-46.3175.9-174.8-178.7179.1103.2-6.9110.8L53 S54 K56 L61 L62 T86L53-R58 HydrophobicContact CB-CB 4.45Å; S54-R58 WeakPolarHBondContact O-CB 3.42Å; S54-R58 PolarHBondContact O-N 3.28Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 2.85Å; R58-L61 PolarHBondContact O-N 3.47Å; R58-L62 HydrophobicContact CG-CD1 4.15Å; R58-L62 VanDerWaalsContact O-CG 3.25Å; R58-L62 WeakPolarHBondContact O-CG 3.41Å; R58-L62 PolarHBondContact O-N 2.88Å; R58-T86 PolarHBondContact NH2-OG1 2.97Å
59Q90.5Very high87.2Confident126 Ų12677.1 Ų77.159%0.58941%0.41SS*.Hα-helixtrans-67.7-38.1-179.6-165.9150.313.800112.1T55 K56 E57 L62 C63T55-Q59 WeakPolarHBondContact O-CB 3.4Å; T55-Q59 PolarHBondContact O-N 3.32Å; K56-Q59 PolarHBondContact O-N 2.98Å; E57-Q59 VanDerWaalsContact C-N 3.34Å; E57-Q59 PolarHBondContact O-N 2.9Å; Q59-L62 PolarHBondContact O-N 3.07Å; Q59-C63 WeakPolarHBondContact O-CB 3.29Å; Q59-C63 PolarHBondContact O-N 2.97Å; Q59-C63 PolarHBondContact O-SG 3.44Å
60Q92.9Very high87.5Confident115 Ų11577.4 Ų77.454%0.53741%0.412SS..Hα-helixtrans-61-44.4173-74.8175.3-1900112.3K56 E57 C63 D64K56-Q60 WeakPolarHBondContact O-CG 3.34Å; K56-Q60 PolarHBondContact O-N 3.3Å; E57-Q60 PolarHBondContact O-N 3.03Å; Q60-C63 PolarHBondContact O-N 2.78Å; Q60-D64 PolarHBondContact O-N 3.26Å
61L93.3Very high88.1Confident17 Ų1783.1 Ų83.19%0.08943%0.433CS..Hα-helixtrans-61.1-47.5175.817660.3000111.4A47 L49 L53 E57 R58 C63 D64 L65 L75A47-L61 HydrophobicContact CB-CD1 3.47Å; A47-L61 VanDerWaalsContact CB-CD1 3.47Å; A47-L61 HydrophobicContact CB-CD2 4.27Å; A47-L61 HydrophobicContact CB-CG 4.49Å; L49-L61 HydrophobicContact CD1-CD2 4.26Å; L53-L61 HydrophobicContact CD1-CD2 4.46Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 PolarHBondContact O-N 3.08Å; R58-L61 PolarHBondContact O-N 3.47Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.34Å; L61-D64 PolarHBondContact O-N 2.89Å; L61-L65 HydrophobicContact CD1-CD1 3.81Å; L61-L65 HydrophobicContact CD1-CG 4Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.42Å; L61-L65 VanDerWaalsContact O-CG 3.29Å; L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 3.36Å; L61-L75 HydrophobicContact CD1-CD1 4.36Å; L61-L75 HydrophobicContact CD2-CD1 4.02Å
62L92.3Very high89.2Confident56 Ų5679.3 Ų79.329%0.29341%0.406SS..Hα-helixtrans-63.2-38.6179-68.2175.3000112.1R58 Q59 G66 T86 V90R58-L62 HydrophobicContact CG-CD1 4.15Å; R58-L62 VanDerWaalsContact O-CG 3.25Å; R58-L62 WeakPolarHBondContact O-CG 3.41Å; R58-L62 PolarHBondContact O-N 2.88Å; Q59-L62 PolarHBondContact O-N 3.07Å; L62-G66 PolarHBondContact O-N 3.28Å; L62-G66 VanDerWaalsContact O-N 3.08Å; L62-T86 HydrophobicContact CD1-CG2 4.1Å; L62-T86 HydrophobicContact CD2-CG2 3.97Å; L62-V90 HydrophobicContact CD2-CG2 3.28Å
63C92.8Very high90.3Very high80 Ų8074.4 Ų74.454%0.54139%0.385SS..Hα-helixtrans-64.1-41.5173.3-750000112Q59 Q60 L61 G66Q59-C63 WeakPolarHBondContact O-CB 3.29Å; Q59-C63 PolarHBondContact O-N 2.97Å; Q59-C63 PolarHBondContact O-SG 3.44Å; Q60-C63 PolarHBondContact O-N 2.78Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.34Å; C63-G66 PolarHBondContact O-N 3.21Å
64D94.5Very high91.2Very high13 Ų1372.8 Ų72.87%0.0738%0.376CS..Hα-helixtrans-65.7-44.8177.3-175.160.2000112.3Q60 L61 G66 R67 P70 R71 T72Q60-D64 PolarHBondContact O-N 3.26Å; L61-D64 PolarHBondContact O-N 2.89Å; D64-G66 PolarHBondContact O-N 2.85Å; D64-R67 WeakPolarHBondContact O-CB 3.39Å; D64-R67 WeakPolarHBondContact O-CG 3.37Å; D64-R67 PolarHBondContact O-N 3.29Å; D64-R67 VanDerWaalsContact O-N 3.13Å; D64-R67 IonicContact OD1-CZ 3.46Å; D64-R67 IonicContact OD1-NE 3.15Å; D64-R67 IonicContact OD1-NH1 2.74Å; D64-R67 PolarHBondContact OD1-NH1 3.03Å; D64-P70 WeakPolarHBondContact O-CA 3.48Å; D64-R71 WeakPolarHBondContact OD1-CB 3.19Å; D64-R71 WeakPolarHBondContact OD1-CG 3.39Å; D64-R71 PolarHBondContact OD1-N 2.83Å; D64-R71 VanDerWaalsContact OD1-N 3.1Å; D64-R71 PolarHBondContact OD2-N 2.72Å; D64-R71 VanDerWaalsContact OD2-N 3.16Å; D64-T72 WeakPolarHBondContact OD2-CB 3.35Å; D64-T72 PolarHBondContact OD2-N 2.93Å; D64-T72 PolarHBondContact OD2-OG1 3.19Å
65L93.5Very high91.8Very high9 Ų970.2 Ų70.25%0.04736%0.358CS..Hα-helixtrans-66.3-22.7178.1-66.3172.2000112.9V21 L61 R67 T72 L75 V90V21-L65 HydrophobicContact CG1-CD2 4.16Å; V21-L65 HydrophobicContact CG2-CD2 4.03Å; L61-L65 HydrophobicContact CD1-CD1 3.81Å; L61-L65 HydrophobicContact CD1-CG 4Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.42Å; L61-L65 VanDerWaalsContact O-CG 3.29Å; L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 3.36Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-T72 HydrophobicContact CD2-CG2 4.24Å; L65-L75 HydrophobicContact CD1-CD2 3.92Å; L65-V90 HydrophobicContact CB-CG1 4.48Å; L65-V90 HydrophobicContact CD1-CG1 3.74Å; L65-V90 HydrophobicContact CD1-CG2 4.46Å
66G89.8Confident92.3Very high52 Ų5264.8 Ų64.854%0.53633%0.325SS..THydrogen-bonded Turntrans-81.9-4.1174.800000114.9L62 C63 D64L62-G66 PolarHBondContact O-N 3.28Å; L62-G66 VanDerWaalsContact O-N 3.08Å; C63-G66 PolarHBondContact O-N 3.21Å; D64-G66 PolarHBondContact O-N 2.85Å
67R89.7Confident92.5Very high114 Ų11457.6 Ų57.643%0.4329%0.294SS..SBendtrans-73.4155.6179-66.9174172.8169-9.3111.4D64 L65 V69 P70D64-R67 WeakPolarHBondContact O-CB 3.39Å; D64-R67 WeakPolarHBondContact O-CG 3.37Å; D64-R67 PolarHBondContact O-N 3.29Å; D64-R67 VanDerWaalsContact O-N 3.13Å; D64-R67 IonicContact OD1-CZ 3.46Å; D64-R67 IonicContact OD1-NE 3.15Å; D64-R67 IonicContact OD1-NH1 2.74Å; D64-R67 PolarHBondContact OD1-NH1 3.03Å; L65-R67 VanDerWaalsContact C-N 3.33Å; R67-V69 PolarHBondContact O-N 2.88Å; R67-P70 WeakPolarHBondContact O-CD 3.3Å
68V86.2Confident92.6Very high122 Ų12253.4 Ų53.474%0.73928%0.275SS*.SBendtrans-58.8-32.1171.4-176.40000111.6L99V68-L99 WeakPolarHBondContact O-CD1 3.11Å
69V89.3Confident92.5Very high98 Ų9850.3 Ų50.359%0.59426%0.263SS*.SBendtrans-13295.8170.9-1740000108.2R67R67-V69 PolarHBondContact O-N 2.88Å
70P92.9Very high92.4Very high8 Ų847.7 Ų47.75%0.05225%0.251CS..  trans-60.9139.7175.1-23.834.8000110.7V21 D64 R67 L94 L99V21-P70 HydrophobicContact CG2-CB 3.88Å; V21-P70 HydrophobicContact CG2-CG 3.99Å; D64-P70 WeakPolarHBondContact O-CA 3.48Å; R67-P70 WeakPolarHBondContact O-CD 3.3Å; P70-L94 HydrophobicContact CG-CD2 4.09Å; P70-L99 HydrophobicContact CG-CD1 4.13Å
71R93.2Very high92.3Very high172 Ų17243.7 Ų43.765%0.64923%0.232SC*.SBendtrans-74.1-36.6172-65.9-178.6176.9-179.6-3110.6Q45 D64 K73Q45-R71 VanDerWaalsContact CB-O 3.22Å; Q45-R71 WeakPolarHBondContact CB-O 3.26Å; D64-R71 WeakPolarHBondContact OD1-CB 3.19Å; D64-R71 WeakPolarHBondContact OD1-CG 3.39Å; D64-R71 PolarHBondContact OD1-N 2.83Å; D64-R71 VanDerWaalsContact OD1-N 3.1Å; D64-R71 PolarHBondContact OD2-N 2.72Å; D64-R71 VanDerWaalsContact OD2-N 3.16Å; R71-K73 PolarHBondContact O-N 2.95Å
72T94.7Very high92.2Very high10 Ų1042.9 Ų42.96%0.06123%0.228CC..  trans-62.5120.3177.3-56.20000110.4V21 A47 D64 L65 L74V21-T72 WeakPolarHBondContact CG2-O 3.22Å; A47-T72 HydrophobicContact CB-CG2 3.93Å; D64-T72 WeakPolarHBondContact OD2-CB 3.35Å; D64-T72 PolarHBondContact OD2-N 2.93Å; D64-T72 PolarHBondContact OD2-OG1 3.19Å; L65-T72 HydrophobicContact CD2-CG2 4.24Å; T72-L74 WeakPolarHBondContact CG2-O 3.36Å
73K95.9Very high92Very high54 Ų5443.7 Ų43.724%0.23523%0.23CC..  trans-96.8-32.5176.5-70.9-65.5-168.6167.30112.9H18 T22 Q45 R71H18-K73 PolarHBondContact O-NZ 3.38Å; T22-K73 PolarHBondContact N-O 3.43Å; Q45-K73 PolarHBondContact O-N 3.09Å; R71-K73 PolarHBondContact O-N 2.95Å
74L97.1Very high91.9Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-125.1125.9-179.9-62.9100000109.7Y11 Q12 A15 V16 I24 L39 V44 A46 A47 T72 Y76Y11-L74 HydrophobicContact CD2-CD2 4.35Å; Y11-L74 HydrophobicContact CE2-CD2 4.29Å; Q12-L74 HydrophobicContact CB-CD2 4.4Å; Q12-L74 HydrophobicContact CG-CD2 3.81Å; A15-L74 HydrophobicContact CB-CD1 4.29Å; A15-L74 HydrophobicContact CB-CD2 4.01Å; A15-L74 HydrophobicContact CB-CG 3.89Å; V16-L74 HydrophobicContact CG2-CD1 4.36Å; I24-L74 HydrophobicContact CD1-CB 3.71Å; I24-L74 HydrophobicContact CD1-CD2 3.91Å; I24-L74 HydrophobicContact CD1-CG 4.19Å; L39-L74 HydrophobicContact CD1-CD1 4.41Å; L39-L74 HydrophobicContact CD1-CD2 4.24Å; V44-L74 HydrophobicContact CG1-CD1 3.65Å; A46-L74 CarbonylContact C-O 3.42Å; A46-L74 WeakPolarHBondContact CA-O 3.14Å; A46-L74 HydrophobicContact CB-CB 3.92Å; A46-L74 HydrophobicContact CB-CD1 4.42Å; A47-L74 PolarHBondContact N-O 2.9Å; T72-L74 WeakPolarHBondContact CG2-O 3.36Å; L74-Y76 HydrophobicContact CB-CE2 4.25Å
75L96.3Very high91.7Very high1 Ų151.3 Ų51.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-117.2107.8173.8-177.663.5000109.9V21 T22 I23 I24 A47 L49 L61 L65 V77 V90V21-L75 HydrophobicContact CG1-CB 4Å; T22-L75 PolarHBondContact O-N 2.96Å; I23-L75 WeakPolarHBondContact CA-O 3.43Å; I23-L75 HydrophobicContact CD1-CB 3.98Å; I23-L75 HydrophobicContact CD1-CD2 3.97Å; I23-L75 HydrophobicContact CD1-CG 4.45Å; I24-L75 PolarHBondContact N-O 3.34Å; A47-L75 HydrophobicContact CB-CD1 4.27Å; A47-L75 CarbonylContact O-C 3.5Å; A47-L75 WeakPolarHBondContact O-CA 3.49Å; L49-L75 HydrophobicContact CB-CD1 4.35Å; L61-L75 HydrophobicContact CD1-CD1 4.36Å; L61-L75 HydrophobicContact CD2-CD1 4.02Å; L65-L75 HydrophobicContact CD1-CD2 3.92Å; L75-V77 HydrophobicContact CD2-CG2 4.17Å; L75-V77 HydrophobicContact CG-CG2 3.84Å; L75-V90 HydrophobicContact CD2-CG1 4.36Å
76Y95.6Very high91.5Very high0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-81.5131.4174.5-74.1-94.5000110.9Y11 Q12 I24 M32 Q35 L36 L39 A47 S48 L49 L74Y11-Y76 WeakPolarHBondContact CE2-OH 3.4Å; Y11-Y76 PolarHBondContact OH-OH 3.38Å; Y11-Y76 VanDerWaalsContact OH-OH 3.07Å; Q12-Y76 PolarHBondContact NE2-OH 2.69Å; I24-Y76 HydrophobicContact CB-CD1 3.81Å; I24-Y76 HydrophobicContact CB-CE1 3.92Å; I24-Y76 HydrophobicContact CB-CG 4.27Å; I24-Y76 HydrophobicContact CD1-CD2 4.36Å; I24-Y76 HydrophobicContact CD1-CE2 4.24Å; I24-Y76 HydrophobicContact CG1-CE1 4.39Å; I24-Y76 HydrophobicContact CG2-CD1 3.78Å; I24-Y76 HydrophobicContact CG2-CE1 3.61Å; I24-Y76 CarbonylContact O-C 3.59Å; I24-Y76 WeakPolarHBondContact O-CA 3.45Å; M32-Y76 HydrophobicContact CB-CD1 4.34Å; M32-Y76 HydrophobicContact CB-CG 4.35Å; M32-Y76 HydrophobicContact CG-CD1 3.95Å; M32-Y76 HydrophobicContact CG-CG 4.21Å; Q35-Y76 HydrophobicContact CB-CE1 4.04Å; Q35-Y76 HydrophobicContact CB-CE2 4.28Å; Q35-Y76 WeakPolarHBondContact CB-OH 3.33Å; Q35-Y76 HydrophobicContact CG-CE1 4.19Å; L36-Y76 HydrophobicContact CD2-CD2 3.89Å; L36-Y76 HydrophobicContact CD2-CE2 4.28Å; L36-Y76 HydrophobicContact CG-CD2 4.42Å; L39-Y76 HydrophobicContact CD1-CE2 3.86Å; A47-Y76 PolarHBondContact O-N 3.37Å; S48-Y76 CarbonylContact C-O 3.4Å; S48-Y76 WeakPolarHBondContact CA-O 3.5Å; L49-Y76 PolarHBondContact N-O 3.35Å; L74-Y76 HydrophobicContact CB-CE2 4.25Å
77V93.8Very high91.7Very high0 Ų050.3 Ų50.30%024%0.235CC..EExtended strand (participates in β ladder)trans-139.2140.1-175.9-1700000109.2I23 I24 F25 S26 M32 L49 L75 Q81 A82 F87I23-V77 HydrophobicContact CG2-CG2 4.3Å; I24-V77 PolarHBondContact O-N 2.84Å; F25-V77 VanDerWaalsContact CA-O 3.31Å; F25-V77 WeakPolarHBondContact CA-O 3.43Å; F25-V77 HydrophobicContact CD1-CB 4.44Å; S26-V77 PolarHBondContact N-O 2.75Å; S26-V77 VanDerWaalsContact N-O 3.12Å; M32-V77 WeakPolarHBondContact CE-O 3Å; L49-V77 HydrophobicContact CB-CG2 4.24Å; L75-V77 HydrophobicContact CD2-CG2 4.17Å; L75-V77 HydrophobicContact CG-CG2 3.84Å; V77-Q81 HydrophobicContact CG1-CB 3.64Å; V77-A82 HydrophobicContact CG1-CB 4.38Å; V77-F87 HydrophobicContact CB-CE2 4.32Å; V77-F87 HydrophobicContact CG1-CD2 3.89Å; V77-F87 HydrophobicContact CG1-CE2 4.03Å; V77-F87 HydrophobicContact CG2-CD2 4.14Å; V77-F87 HydrophobicContact CG2-CE2 3.89Å
78T90.8Very high91.8Very high10 Ų1047.7 Ų47.76%0.06123%0.23CC..  trans-80.5151.9172.780.50000109.7I29 M32 E80 Q81 A82I29-T78 HydrophobicContact CG1-CG2 4.19Å; M32-T78 HydrophobicContact CE-CG2 3.62Å; M32-T78 HydrophobicContact SD-CG2 4.13Å; T78-E80 WeakPolarHBondContact CB-OE2 3.39Å; T78-E80 PolarHBondContact O-N 2.92Å; T78-E80 VanDerWaalsContact O-N 3.17Å; T78-E80 PolarHBondContact OG1-OE2 3.21Å; T78-Q81 PolarHBondContact O-N 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.27Å; T78-Q81 PolarHBondContact OG1-N 3.34Å; T78-A82 PolarHBondContact O-N 3.49Å
79P88.1Confident92.1Very high0 Ų046.4 Ų46.40%022%0.219CC..THydrogen-bonded Turntrans-53.6-35.8176.6-23.530.5000113.2S26 A82 E121 Y122S26-P79 WeakPolarHBondContact O-CD 3.34Å; P79-A82 WeakPolarHBondContact O-CB 3.32Å; P79-A82 PolarHBondContact O-N 2.91Å; P79-E121 HydrophobicContact CB-CB 3.72Å; P79-Y122 HydrophobicContact CB-CD2 3.95Å; P79-Y122 HydrophobicContact CB-CE2 4.18Å; P79-Y122 HydrophobicContact CB-CG 4.43Å; P79-Y122 HydrophobicContact CG-CD1 4.47Å; P79-Y122 HydrophobicContact CG-CD2 3.33Å; P79-Y122 HydrophobicContact CG-CE1 4.27Å; P79-Y122 HydrophobicContact CG-CE2 3.08Å; P79-Y122 HydrophobicContact CG-CG 4.06Å
80E88.3Confident92.3Very high70 Ų7042.3 Ų42.333%0.32719%0.194SC..THydrogen-bonded Turntrans-66.8-41.8177.3-5075.6-170.800110.9T78 A82 Q83 R119 E121T78-E80 WeakPolarHBondContact CB-OE2 3.39Å; T78-E80 PolarHBondContact O-N 2.92Å; T78-E80 VanDerWaalsContact O-N 3.17Å; T78-E80 PolarHBondContact OG1-OE2 3.21Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 3.49Å; E80-Q83 PolarHBondContact O-N 3.25Å; E80-R119 IonicContact OE1-NH1 2.76Å; E80-E121 HydrophobicContact CG-CG 4.06Å
81Q89.6Confident92.4Very high31 Ų3141.9 Ų41.915%0.14519%0.191CC..G310 helixtrans-68.9-29.8176.4-70.6-66.1-52.300112.6V77 T78 Q83 T84 F87V77-Q81 HydrophobicContact CG1-CB 3.64Å; T78-Q81 PolarHBondContact O-N 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.27Å; T78-Q81 PolarHBondContact OG1-N 3.34Å; Q81-Q83 PolarHBondContact O-N 3.5Å; Q81-Q83 VanDerWaalsContact O-N 3.13Å; Q81-T84 WeakPolarHBondContact O-CB 3.46Å; Q81-T84 WeakPolarHBondContact O-CG2 3.42Å; Q81-T84 PolarHBondContact O-N 3.09Å; Q81-T84 PolarHBondContact O-OG1 2.89Å; Q81-F87 WeakPolarHBondContact O-CB 3.45Å
82A91.4Very high92.4Very high1 Ų135.6 Ų35.61%0.00817%0.174CC..G310 helixtrans-63.2-15.1175.900000113.3F25 V77 T78 P79 E80 F87 L125F25-A82 HydrophobicContact CD1-CB 4.06Å; F25-A82 HydrophobicContact CE1-CB 3.61Å; V77-A82 HydrophobicContact CG1-CB 4.38Å; T78-A82 PolarHBondContact O-N 3.49Å; P79-A82 WeakPolarHBondContact O-CB 3.32Å; P79-A82 PolarHBondContact O-N 2.91Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 3.49Å; A82-F87 HydrophobicContact CB-CD1 4.21Å; A82-F87 HydrophobicContact CB-CE1 4Å; A82-F87 HydrophobicContact CB-CZ 4.28Å; A82-F87 WeakPolarHBondContact O-CD1 3.46Å; A82-L125 HydrophobicContact CB-CD2 3.83Å
83Q88.2Confident92.3Very high72 Ų7241.9 Ų41.934%0.33620%0.2SC..G310 helixtrans-91.8-4.1176.1-57.4-55.7-5400113.4E80 Q81 K124E80-Q83 PolarHBondContact O-N 3.25Å; Q81-Q83 PolarHBondContact O-N 3.5Å; Q81-Q83 VanDerWaalsContact O-N 3.13Å; Q83-K124 HydrophobicContact CG-CD 4.05Å
84T90.4Very high92.3Very high39 Ų3939.4 Ų39.424%0.23919%0.189CC..SBendtrans-80.8149.3-176.166.50000111.9Q81 T86 F87 N88Q81-T84 WeakPolarHBondContact O-CB 3.46Å; Q81-T84 WeakPolarHBondContact O-CG2 3.42Å; Q81-T84 PolarHBondContact O-N 3.09Å; Q81-T84 PolarHBondContact O-OG1 2.89Å; T84-T86 VanDerWaalsContact C-N 3.26Å; T84-T86 PolarHBondContact O-N 2.85Å; T84-F87 PolarHBondContact O-N 3.35Å; T84-F87 VanDerWaalsContact O-N 3.15Å; T84-F87 PolarHBondContact OG1-N 3.24Å; T84-N88 PolarHBondContact O-N 3.15Å; T84-N88 VanDerWaalsContact O-N 3.15Å
85R90.9Very high92.1Very high215 Ų21541.3 Ų41.381%0.81120%0.203SC*.Hα-helixtrans-56.5-41.4175.2-66.3-175.6-177.4175.91.1112.2F87 N88 D89R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 3.44Å; R85-N88 PolarHBondContact O-N 2.75Å; R85-N88 VanDerWaalsContact O-N 3.14Å; R85-D89 VanDerWaalsContact O-CG 3.24Å; R85-D89 PolarHBondContact O-N 2.95Å
86T90.1Very high91.9Very high40 Ų4049.8 Ų49.825%0.24524%0.24CC..Hα-helixtrans-60.3-40.7178.5-49.50000112.3R58 L62 T84 D89 V90R58-T86 PolarHBondContact NH2-OG1 2.97Å; L62-T86 HydrophobicContact CD1-CG2 4.1Å; L62-T86 HydrophobicContact CD2-CG2 3.97Å; T84-T86 VanDerWaalsContact C-N 3.26Å; T84-T86 PolarHBondContact O-N 2.85Å; T86-D89 PolarHBondContact O-N 3.01Å; T86-V90 VanDerWaalsContact O-CG2 3.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.31Å; T86-V90 VanDerWaalsContact O-N 3.09Å
87F93.1Very high91.6Very high0 Ų052.2 Ų52.20%026%0.264CS..Hα-helixtrans-63.9-46.2175.3174-97.3000111.1I23 F25 L49 V77 Q81 A82 T84 R85 D89 V90 I91 L128I23-F87 HydrophobicContact CG2-CE2 3.94Å; I23-F87 HydrophobicContact CG2-CZ 4.1Å; F25-F87 HydrophobicContact CE1-CE1 4.48Å; F25-F87 HydrophobicContact CE1-CE2 4.34Å; F25-F87 AromaticContact CE1-CZ 3.77Å; F25-F87 HydrophobicContact CE1-CZ 3.77Å; F25-F87 AromaticContact CZ-CZ 3.95Å; F25-F87 HydrophobicContact CZ-CZ 3.95Å; L49-F87 HydrophobicContact CD2-CB 4.28Å; L49-F87 HydrophobicContact CD2-CD2 4.45Å; V77-F87 HydrophobicContact CB-CE2 4.32Å; V77-F87 HydrophobicContact CG1-CD2 3.89Å; V77-F87 HydrophobicContact CG1-CE2 4.03Å; V77-F87 HydrophobicContact CG2-CD2 4.14Å; V77-F87 HydrophobicContact CG2-CE2 3.89Å; Q81-F87 WeakPolarHBondContact O-CB 3.45Å; A82-F87 HydrophobicContact CB-CD1 4.21Å; A82-F87 HydrophobicContact CB-CE1 4Å; A82-F87 HydrophobicContact CB-CZ 4.28Å; A82-F87 WeakPolarHBondContact O-CD1 3.46Å; T84-F87 PolarHBondContact O-N 3.35Å; T84-F87 VanDerWaalsContact O-N 3.15Å; T84-F87 PolarHBondContact OG1-N 3.24Å; R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 3.44Å; F87-D89 VanDerWaalsContact C-N 3.29Å; F87-D89 PolarHBondContact O-N 3.46Å; F87-V90 WeakPolarHBondContact O-CB 3.44Å; F87-V90 PolarHBondContact O-N 2.77Å; F87-V90 VanDerWaalsContact O-N 3.12Å; F87-I91 HydrophobicContact CD1-CG1 4.03Å; F87-I91 HydrophobicContact CD2-CD1 4.48Å; F87-I91 HydrophobicContact CD2-CG1 4.08Å; F87-I91 HydrophobicContact CE1-CD1 4.41Å; F87-I91 HydrophobicContact CE1-CG1 3.57Å; F87-I91 HydrophobicContact CE2-CD1 3.72Å; F87-I91 HydrophobicContact CE2-CG1 3.61Å; F87-I91 HydrophobicContact CG-CG1 4.29Å; F87-I91 HydrophobicContact CZ-CD1 3.7Å; F87-I91 HydrophobicContact CZ-CG1 3.35Å; F87-I91 WeakPolarHBondContact O-CG1 3.41Å; F87-I91 PolarHBondContact O-N 3.44Å; F87-L128 HydrophobicContact CE1-CD1 4.04Å; F87-L128 HydrophobicContact CE1-CD2 4.29Å; F87-L128 HydrophobicContact CZ-CD1 4.41Å
88N92.9Very high91.6Very high58 Ų5855.1 Ų55.131%0.3130%0.295SS..Hα-helixtrans-59.3-39.8177.7-68.1-26.3000112.2T84 R85 I91 S92T84-N88 PolarHBondContact O-N 3.15Å; T84-N88 VanDerWaalsContact O-N 3.15Å; R85-N88 PolarHBondContact O-N 2.75Å; R85-N88 VanDerWaalsContact O-N 3.14Å; N88-I91 PolarHBondContact O-N 3.27Å; N88-S92 WeakPolarHBondContact O-CB 3.13Å; N88-S92 PolarHBondContact O-N 2.9Å
89D92.3Very high91.8Very high96 Ų9655.2 Ų55.251%0.51330%0.295SS..Hα-helixtrans-63.6-41.9175.8-65.4-28.9000111.9R85 T86 F87 K93R85-D89 VanDerWaalsContact O-CG 3.24Å; R85-D89 PolarHBondContact O-N 2.95Å; T86-D89 PolarHBondContact O-N 3.01Å; F87-D89 VanDerWaalsContact C-N 3.29Å; F87-D89 PolarHBondContact O-N 3.46Å; D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.39Å; D89-K93 PolarHBondContact O-N 2.88Å; D89-K93 VanDerWaalsContact O-N 3.08Å
90V93.4Very high92.1Very high11 Ų1156.1 Ų56.17%0.06730%0.299CS..Hα-helixtrans-63.5-51.6176.9166.60000110.8L62 L65 L75 T86 F87 S92 K93 L94L62-V90 HydrophobicContact CD2-CG2 3.28Å; L65-V90 HydrophobicContact CB-CG1 4.48Å; L65-V90 HydrophobicContact CD1-CG1 3.74Å; L65-V90 HydrophobicContact CD1-CG2 4.46Å; L75-V90 HydrophobicContact CD2-CG1 4.36Å; T86-V90 VanDerWaalsContact O-CG2 3.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.31Å; T86-V90 VanDerWaalsContact O-N 3.09Å; F87-V90 WeakPolarHBondContact O-CB 3.44Å; F87-V90 PolarHBondContact O-N 2.77Å; F87-V90 VanDerWaalsContact O-N 3.12Å; V90-S92 VanDerWaalsContact C-N 3.35Å; V90-S92 PolarHBondContact O-N 2.81Å; V90-K93 PolarHBondContact O-N 2.78Å; V90-L94 HydrophobicContact CG1-CD1 3.9Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 3.42Å
91I94.6Very high92.4Very high0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-64.1-41.6-178.9-63.7-58000111I23 F87 N88 K93 L94 S95 L100 F103 Y132I23-I91 HydrophobicContact CD1-CD1 3.53Å; I23-I91 HydrophobicContact CG1-CD1 3.55Å; I23-I91 HydrophobicContact CG2-CD1 4.46Å; F87-I91 HydrophobicContact CD1-CG1 4.03Å; F87-I91 HydrophobicContact CD2-CD1 4.48Å; F87-I91 HydrophobicContact CD2-CG1 4.08Å; F87-I91 HydrophobicContact CE1-CD1 4.41Å; F87-I91 HydrophobicContact CE1-CG1 3.57Å; F87-I91 HydrophobicContact CE2-CD1 3.72Å; F87-I91 HydrophobicContact CE2-CG1 3.61Å; F87-I91 HydrophobicContact CG-CG1 4.29Å; F87-I91 HydrophobicContact CZ-CD1 3.7Å; F87-I91 HydrophobicContact CZ-CG1 3.35Å; F87-I91 WeakPolarHBondContact O-CG1 3.41Å; F87-I91 PolarHBondContact O-N 3.44Å; N88-I91 PolarHBondContact O-N 3.27Å; I91-K93 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.36Å; I91-L94 PolarHBondContact O-N 2.67Å; I91-S95 VanDerWaalsContact O-CB 3.29Å; I91-S95 WeakPolarHBondContact O-CB 3.23Å; I91-S95 PolarHBondContact O-N 3.07Å; I91-L100 HydrophobicContact CD1-CD1 4.12Å; I91-L100 HydrophobicContact CG2-CD2 3.8Å; I91-F103 HydrophobicContact CD1-CE1 4.27Å; I91-F103 HydrophobicContact CG2-CZ 4.05Å; I91-Y132 HydrophobicContact CB-CE2 4.47Å; I91-Y132 HydrophobicContact CG2-CD2 3.92Å; I91-Y132 HydrophobicContact CG2-CE1 4.05Å; I91-Y132 HydrophobicContact CG2-CE2 3.35Å; I91-Y132 HydrophobicContact CG2-CG 4.48Å; I91-Y132 VanDerWaalsContact CG2-CZ 3.42Å
92S93.7Very high92.7Very high40 Ų4053.5 Ų53.528%0.2829%0.286SS..Hα-helixtrans-59.2-44.4176.4-176.50000111.9N88 V90 S95 K96N88-S92 WeakPolarHBondContact O-CB 3.13Å; N88-S92 PolarHBondContact O-N 2.9Å; V90-S92 VanDerWaalsContact C-N 3.35Å; V90-S92 PolarHBondContact O-N 2.81Å; S92-S95 PolarHBondContact O-N 2.8Å; S92-K96 WeakPolarHBondContact O-CB 3.47Å; S92-K96 VanDerWaalsContact O-CG 3.31Å; S92-K96 WeakPolarHBondContact O-CG 3.38Å; S92-K96 PolarHBondContact O-N 2.98Å
93K92.6Very high93Very high142 Ų14253.4 Ų53.462%0.61729%0.285SS*.Hα-helixtrans-63.5-48175.6-74174.9-175.2-179.90112.3D89 V90 I91 S95 K96 G97D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.39Å; D89-K93 PolarHBondContact O-N 2.88Å; D89-K93 VanDerWaalsContact O-N 3.08Å; V90-K93 PolarHBondContact O-N 2.78Å; I91-K93 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.36Å; K93-S95 VanDerWaalsContact C-N 3.33Å; K93-S95 PolarHBondContact O-N 2.83Å; K93-K96 PolarHBondContact O-N 3.27Å; K93-G97 PolarHBondContact O-N 3.07Å; K93-G97 VanDerWaalsContact O-N 3.07Å
94L94.6Very high93.4Very high1 Ų150 Ų501%0.00527%0.269CS..Hα-helixtrans-61.6-42.1178.7-70.9172.3000111.7V21 I23 P70 V90 I91 G97 G98 L99 L100V21-L94 HydrophobicContact CB-CD1 4.11Å; V21-L94 HydrophobicContact CB-CD2 4.48Å; V21-L94 HydrophobicContact CG2-CD1 4.16Å; V21-L94 HydrophobicContact CG2-CD2 3.74Å; I23-L94 HydrophobicContact CD1-CD1 4.44Å; P70-L94 HydrophobicContact CG-CD2 4.09Å; V90-L94 HydrophobicContact CG1-CD1 3.9Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 3.42Å; I91-L94 PolarHBondContact O-N 2.67Å; L94-G97 PolarHBondContact O-N 2.77Å; L94-G98 PolarHBondContact O-N 2.79Å; L94-L99 HydrophobicContact CD2-CB 4.01Å; L94-L99 PolarHBondContact O-N 3.19Å; L94-L100 HydrophobicContact CB-CB 4.36Å
95S93.9Very high93.6Very high41 Ų4148.1 Ų48.129%0.28726%0.258SS..Hα-helixtrans-64.7-45.2177.9-173.70000111.8I91 S92 K93 G97 G98 Y132I91-S95 VanDerWaalsContact O-CB 3.29Å; I91-S95 WeakPolarHBondContact O-CB 3.23Å; I91-S95 PolarHBondContact O-N 3.07Å; S92-S95 PolarHBondContact O-N 2.8Å; K93-S95 VanDerWaalsContact C-N 3.33Å; K93-S95 PolarHBondContact O-N 2.83Å; S95-G97 PolarHBondContact O-N 2.68Å; S95-G98 PolarHBondContact O-N 2.82Å; S95-Y132 WeakPolarHBondContact OG-CD1 3.15Å
96K91.4Very high93.6Very high179 Ų17938.2 Ų38.278%0.77822%0.221SC*.Hα-helixtrans-61.2-33.9176.7-74.5177.9-175.5-175.10112.3S92 K93 G98S92-K96 WeakPolarHBondContact O-CB 3.47Å; S92-K96 VanDerWaalsContact O-CG 3.31Å; S92-K96 WeakPolarHBondContact O-CG 3.38Å; S92-K96 PolarHBondContact O-N 2.98Å; K93-K96 PolarHBondContact O-N 3.27Å; K96-G98 VanDerWaalsContact C-N 3.29Å; K96-G98 PolarHBondContact O-N 3.09Å
97G90.1Very high93.5Very high50 Ų5037.3 Ų37.352%0.51521%0.214SC..THydrogen-bonded Turntrans-79.2-3.8175.200000115.1K93 L94 S95 L99K93-G97 PolarHBondContact O-N 3.07Å; K93-G97 VanDerWaalsContact O-N 3.07Å; L94-G97 PolarHBondContact O-N 2.77Å; S95-G97 PolarHBondContact O-N 2.68Å; G97-L99 PolarHBondContact O-N 2.86Å
98G92.3Very high93.4Very high62 Ų6237.3 Ų37.364%0.63921%0.214SC*.THydrogen-bonded Turntrans64.826.3-172.200000113.3L94 S95 K96L94-G98 PolarHBondContact O-N 2.79Å; S95-G98 PolarHBondContact O-N 2.82Å; K96-G98 VanDerWaalsContact C-N 3.29Å; K96-G98 PolarHBondContact O-N 3.09Å
99L94.9Very high93.1Very high12 Ų1234.6 Ų34.66%0.06320%0.2CC..  trans-107.29.1-175.1-63.6166.4000112.6R19 G20 V21 V68 P70 L94 G97R19-L99 HydrophobicContact CG-CD2 4.33Å; G20-L99 CarbonylContact C-O 3.46Å; G20-L99 WeakPolarHBondContact CA-O 3.34Å; V21-L99 PolarHBondContact N-O 2.91Å; V68-L99 WeakPolarHBondContact O-CD1 3.11Å; P70-L99 HydrophobicContact CG-CD1 4.13Å; L94-L99 HydrophobicContact CD2-CB 4.01Å; L94-L99 PolarHBondContact O-N 3.19Å; G97-L99 PolarHBondContact O-N 2.86Å
100L95.1Very high92.7Very high18 Ų1830 Ų309%0.09418%0.175CC..EExtended strand (participates in β ladder)trans-92.6104.8175.5-173.358.1000109.1I23 I91 L94 F103 Y132 V135I23-L100 HydrophobicContact CD1-CD1 4.18Å; I23-L100 HydrophobicContact CG1-CD1 3.53Å; I91-L100 HydrophobicContact CD1-CD1 4.12Å; I91-L100 HydrophobicContact CG2-CD2 3.8Å; L94-L100 HydrophobicContact CB-CB 4.36Å; L100-F103 HydrophobicContact CD1-CE1 4.47Å; L100-F103 HydrophobicContact CD1-CZ 4.26Å; L100-F103 HydrophobicContact CD2-CE2 3.86Å; L100-F103 HydrophobicContact CD2-CZ 3.79Å; L100-F103 HydrophobicContact CG-CE2 4.44Å; L100-F103 HydrophobicContact CG-CZ 4.43Å; L100-Y132 HydrophobicContact CD2-CD1 4.45Å; L100-Y132 HydrophobicContact CD2-CG 4.36Å; L100-V135 HydrophobicContact CB-CG2 4.36Å; L100-V135 HydrophobicContact CD2-CG2 3.67Å; L100-V135 HydrophobicContact CG-CG1 4.18Å; L100-V135 HydrophobicContact CG-CG2 3.85Å
101A95.4Very high92.3Very high2 Ų229.5 Ų29.52%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-81.7-61.8-170.100000112.3H18 V21 P136H18-A101 HydrophobicContact CB-CB 4.29Å; H18-A101 WeakPolarHBondContact ND1-CB 3.45Å; V21-A101 PolarHBondContact O-N 2.85Å; A101-P136 WeakPolarHBondContact O-CD 3.43Å
102Y96.2Very high91.7Very high44 Ų4429.5 Ų29.517%0.17317%0.172CC..EExtended strand (participates in β ladder)trans-144.9152-177.5-48.9-73.2000111.3P14 H18 T22 I23 P136P14-Y102 HydrophobicContact CB-CE2 4.02Å; H18-Y102 HydrophobicContact CB-CE2 3.78Å; H18-Y102 AromaticContact CD2-CZ 3.83Å; H18-Y102 PolarHBondContact CD2-OH 2.8Å; T22-Y102 HydrophobicContact CG2-CD2 4.32Å; T22-Y102 WeakPolarHBondContact OG1-CD2 3.46Å; I23-Y102 PolarHBondContact N-O 2.82Å; Y102-P136 HydrophobicContact CD1-CB 3.93Å; Y102-P136 HydrophobicContact CD1-CG 3.94Å; Y102-P136 HydrophobicContact CE1-CB 4.36Å; Y102-P136 HydrophobicContact CE1-CG 4.09Å
103F96.7Very high90.5Very high0 Ų031.1 Ų31.10%018%0.183CC..EExtended strand (participates in β ladder)trans-101.9125.4160.8-76.1-65.8000109.8I23 F25 I91 L100 L128 Y132 V135 P136 W137 I138I23-F103 HydrophobicContact CB-CD1 3.67Å; I23-F103 HydrophobicContact CB-CE1 3.84Å; I23-F103 HydrophobicContact CG1-CD1 4.14Å; I23-F103 HydrophobicContact CG1-CE1 3.88Å; I23-F103 HydrophobicContact CG2-CD1 3.99Å; I23-F103 HydrophobicContact CG2-CE1 4Å; F25-F103 HydrophobicContact CE2-CB 4.29Å; F25-F103 AromaticContact CE2-CD1 3.44Å; F25-F103 HydrophobicContact CE2-CD1 3.44Å; F25-F103 VanDerWaalsContact CE2-CD1 3.44Å; F25-F103 HydrophobicContact CE2-CE1 4.13Å; F25-F103 HydrophobicContact CE2-CG 4.21Å; F25-F103 AromaticContact CZ-CD1 3.66Å; F25-F103 HydrophobicContact CZ-CD1 3.66Å; F25-F103 AromaticContact CZ-CE1 3.86Å; F25-F103 HydrophobicContact CZ-CE1 3.86Å; I91-F103 HydrophobicContact CD1-CE1 4.27Å; I91-F103 HydrophobicContact CG2-CZ 4.05Å; L100-F103 HydrophobicContact CD1-CE1 4.47Å; L100-F103 HydrophobicContact CD1-CZ 4.26Å; L100-F103 HydrophobicContact CD2-CE2 3.86Å; L100-F103 HydrophobicContact CD2-CZ 3.79Å; L100-F103 HydrophobicContact CG-CE2 4.44Å; L100-F103 HydrophobicContact CG-CZ 4.43Å; F103-L128 HydrophobicContact CE1-CD1 4.48Å; F103-Y132 HydrophobicContact CE2-CD2 4.24Å; F103-Y132 HydrophobicContact CE2-CG 4.45Å; F103-Y132 HydrophobicContact CZ-CD2 4.21Å; F103-V135 HydrophobicContact CD2-CB 3.95Å; F103-V135 HydrophobicContact CD2-CG1 3.53Å; F103-V135 HydrophobicContact CE2-CB 4.13Å; F103-V135 HydrophobicContact CE2-CG1 3.98Å; F103-V135 HydrophobicContact CE2-CG2 4.28Å; F103-V135 HydrophobicContact CG-CG1 4.35Å; F103-P136 PolarHBondContact N-O 3.36Å; F103-W137 HydrophobicContact CB-CD2 3.74Å; F103-W137 HydrophobicContact CB-CE3 4.31Å; F103-W137 HydrophobicContact CB-CG 3.83Å; F103-W137 HydrophobicContact CB-CZ2 4.16Å; F103-W137 AromaticContact CD2-CD1 3.92Å; F103-W137 AromaticContact CD2-CE2 3.69Å; F103-W137 AromaticContact CD2-CZ2 3.91Å; F103-W137 HydrophobicContact CD2-CZ2 3.91Å; F103-W137 AromaticContact CD2-NE1 3.3Å; F103-W137 VanDerWaalsContact CD2-NE1 3.3Å; F103-W137 HydrophobicContact CE2-CZ2 4.5Å; F103-W137 HydrophobicContact CG-CD2 4.48Å; F103-W137 AromaticContact CG-CE2 3.91Å; F103-W137 HydrophobicContact CG-CZ2 4.07Å; F103-W137 AromaticContact CG-NE1 3.89Å; F103-W137 CarbonylContact O-C 3.54Å; F103-W137 WeakPolarHBondContact O-CA 3.36Å; F103-I138 PolarHBondContact O-N 3.12Å
104V96.9Very high89.1Confident0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-118.5126.9-178.7-178.50000108.3Y11 T22 I23 I24 F25 I138 L140Y11-V104 HydrophobicContact CD1-CG1 3.73Å; Y11-V104 HydrophobicContact CD2-CG1 4.25Å; Y11-V104 HydrophobicContact CD2-CG2 4.49Å; Y11-V104 HydrophobicContact CE1-CG1 4.22Å; Y11-V104 HydrophobicContact CG-CG1 3.74Å; Y11-V104 HydrophobicContact CG-CG2 4.25Å; T22-V104 HydrophobicContact CG2-CG2 3.63Å; I23-V104 PolarHBondContact O-N 3.5Å; I24-V104 CarbonylContact C-O 3.52Å; I24-V104 WeakPolarHBondContact CA-O 3.5Å; I24-V104 HydrophobicContact CB-CB 4.37Å; I24-V104 HydrophobicContact CG1-CB 4.05Å; I24-V104 HydrophobicContact CG1-CG2 4.38Å; I24-V104 HydrophobicContact CG2-CB 4.24Å; I24-V104 HydrophobicContact CG2-CG1 4.14Å; F25-V104 WeakPolarHBondContact CD2-O 3.14Å; F25-V104 PolarHBondContact N-O 2.91Å; V104-I138 CarbonylContact C-O 3.5Å; V104-I138 WeakPolarHBondContact CA-O 3.31Å; V104-L140 HydrophobicContact CG1-CD1 3.43Å; V104-L140 VanDerWaalsContact CG1-CD1 3.43Å
105V95.1Very high87.3Confident0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-107.6101.9174.9-1750000107.4F25 A108 V111 Y122 W137 I138 A139 L140 L156F25-V105 HydrophobicContact CD2-CG2 4.14Å; V105-A108 HydrophobicContact CB-CB 4.5Å; V105-A108 HydrophobicContact CG1-CB 3.97Å; V105-V111 HydrophobicContact CG1-CG2 4.01Å; V105-Y122 HydrophobicContact CG1-CD1 3.89Å; V105-Y122 HydrophobicContact CG1-CE1 3.54Å; V105-W137 HydrophobicContact CG2-CE3 4.09Å; V105-W137 HydrophobicContact CG2-CZ3 4.01Å; V105-I138 PolarHBondContact N-O 2.9Å; V105-A139 HydrophobicContact CB-CB 4.41Å; V105-A139 WeakPolarHBondContact O-CA 3.25Å; V105-L140 PolarHBondContact O-N 3.08Å; V105-L156 HydrophobicContact CB-CD1 4.16Å; V105-L156 HydrophobicContact CG1-CD1 4.19Å; V105-L156 HydrophobicContact CG2-CD1 3.82Å; V105-L156 HydrophobicContact CG2-CD2 4.32Å
106D91.3Very high85.7Confident6 Ų635 Ų353%0.03219%0.193CC..THydrogen-bonded Turntrans-84.6150.1174.1-161.615000110.4I24 F25 A108 Y122I24-D106 HydrophobicContact CG2-CB 4.37Å; F25-D106 WeakPolarHBondContact O-CB 3.5Å; F25-D106 PolarHBondContact O-N 3.34Å; D106-A108 VanDerWaalsContact C-N 3.27Å; D106-A108 PolarHBondContact O-N 2.91Å; D106-Y122 PolarHBondContact O-OH 2.89Å; D106-Y122 VanDerWaalsContact O-OH 3.12Å
107E86.7Confident84.7Confident21 Ų2129.2 Ų29.210%0.09817%0.171CC..THydrogen-bonded Turntrans4650-169-60-62.5179.300112.8P27 L31 H109 C110 L140P27-E107 HydrophobicContact CG-CB 4.17Å; P27-E107 HydrophobicContact CG-CG 4.43Å; L31-E107 HydrophobicContact CD2-CG 4.34Å; E107-H109 PolarHBondContact O-N 3Å; E107-H109 IonicContact OE2-CE1 2.78Å; E107-H109 PolarHBondContact OE2-CE1 3.12Å; E107-H109 IonicContact OE2-ND1 2.73Å; E107-H109 PolarHBondContact OE2-ND1 3.14Å; E107-C110 WeakPolarHBondContact O-CB 3.27Å; E107-C110 PolarHBondContact O-N 3.45Å; E107-C110 PolarHBondContact O-SG 3.15Å; E107-L140 PolarHBondContact N-O 3.22Å
108A91.3Very high83.8Confident1 Ų130.6 Ų30.61%0.00816%0.163CC..G310 helixtrans-59.3-14.5-171.800000114.8V105 D106 C110 V111 A139 L140 I152V105-A108 HydrophobicContact CB-CB 4.5Å; V105-A108 HydrophobicContact CG1-CB 3.97Å; D106-A108 VanDerWaalsContact C-N 3.27Å; D106-A108 PolarHBondContact O-N 2.91Å; A108-C110 PolarHBondContact O-N 3.29Å; A108-V111 WeakPolarHBondContact O-CB 3.49Å; A108-V111 VanDerWaalsContact O-CG2 3.26Å; A108-V111 WeakPolarHBondContact O-CG2 3.26Å; A108-V111 PolarHBondContact O-N 3.41Å; A108-V111 VanDerWaalsContact O-N 3.08Å; A108-A139 HydrophobicContact CB-CB 3.85Å; A108-L140 PolarHBondContact N-O 2.99Å; A108-I152 HydrophobicContact CB-CD1 4.15Å; A108-I152 HydrophobicContact CB-CG2 4.06Å; A108-I152 VanDerWaalsContact O-CD1 3.25Å; A108-I152 WeakPolarHBondContact O-CD1 3.42Å; A108-I152 VanDerWaalsContact O-CG1 3.3Å; A108-I152 WeakPolarHBondContact O-CG1 3.45Å
109H86.3Confident83Confident1 Ų130.4 Ų30.41%0.00514%0.143CC..G310 helixtrans-60.7-23.6171.364.3-94000112.8E107 V111 S112 H116 D117 T141 T143E107-H109 PolarHBondContact O-N 3Å; E107-H109 IonicContact OE2-CE1 2.78Å; E107-H109 PolarHBondContact OE2-CE1 3.12Å; E107-H109 IonicContact OE2-ND1 2.73Å; E107-H109 PolarHBondContact OE2-ND1 3.14Å; H109-V111 PolarHBondContact O-N 3.35Å; H109-S112 PolarHBondContact O-N 3.09Å; H109-H116 AromaticContact CD2-CE1 3.34Å; H109-H116 PolarHBondContact CD2-CE1 3.18Å; H109-H116 AromaticContact CD2-ND1 3.83Å; H109-H116 AromaticContact CD2-NE2 3.95Å; H109-H116 AromaticContact CE1-CE1 3.94Å; H109-H116 AromaticContact CG-CE1 3.95Å; H109-H116 AromaticContact NE2-CE1 3.33Å; H109-H116 PolarHBondContact NE2-CE1 2.93Å; H109-H116 VanDerWaalsContact NE2-CE1 3.33Å; H109-H116 AromaticContact NE2-NE2 3.59Å; H109-D117 IonicContact NE2-OD2 3.36Å; H109-T141 PolarHBondContact ND1-OG1 3.48Å; H109-T141 VanDerWaalsContact ND1-OG1 3.12Å; H109-T143 PolarHBondContact ND1-OG1 2.94Å
110C84.4Confident82.3Confident0 Ų033.2 Ų33.20%016%0.162CC..G310 helixtrans-65.2-17.2174.2-64.10000113.9E107 A108 D117 F118 R119 Y122E107-C110 WeakPolarHBondContact O-CB 3.27Å; E107-C110 PolarHBondContact O-N 3.45Å; E107-C110 PolarHBondContact O-SG 3.15Å; A108-C110 PolarHBondContact O-N 3.29Å; C110-D117 WeakPolarHBondContact CA-O 3.22Å; C110-D117 WeakPolarHBondContact CB-O 2.97Å; C110-D117 PolarHBondContact SG-O 2.85Å; C110-F118 WeakPolarHBondContact O-CA 3.31Å; C110-R119 PolarHBondContact O-N 3.5Å; C110-Y122 HydrophobicContact CB-CD2 4.1Å; C110-Y122 HydrophobicContact CB-CE2 3.91Å
111V85.2Confident81.7Confident0 Ų035.4 Ų35.40%017%0.172CC..G310 helixtrans-70.5-39.3178.5-179.10000111.1V105 A108 H109 Y122 I152 L155 L156V105-V111 HydrophobicContact CG1-CG2 4.01Å; A108-V111 WeakPolarHBondContact O-CB 3.49Å; A108-V111 VanDerWaalsContact O-CG2 3.26Å; A108-V111 WeakPolarHBondContact O-CG2 3.26Å; A108-V111 PolarHBondContact O-N 3.41Å; A108-V111 VanDerWaalsContact O-N 3.08Å; H109-V111 PolarHBondContact O-N 3.35Å; V111-Y122 HydrophobicContact CG2-CD1 3.44Å; V111-Y122 VanDerWaalsContact CG2-CD1 3.44Å; V111-Y122 HydrophobicContact CG2-CE1 4.26Å; V111-Y122 HydrophobicContact CG2-CG 3.99Å; V111-I152 HydrophobicContact CB-CG1 4.36Å; V111-L155 HydrophobicContact CG1-CB 3.64Å; V111-L155 HydrophobicContact CG1-CD1 3.89Å; V111-L155 HydrophobicContact CG1-CG 4.43Å; V111-L155 WeakPolarHBondContact O-CD1 3.3Å; V111-L156 HydrophobicContact CG1-CD2 4.01Å; V111-L156 HydrophobicContact CG1-CG 4.22Å; V111-L156 HydrophobicContact CG2-CD1 4.39Å; V111-L156 HydrophobicContact CG2-CD2 3.99Å; V111-L156 HydrophobicContact CG2-CG 4.34Å
112S81.1Confident81.2Confident0 Ų035.3 Ų35.30%017%0.171CC..SBendtrans-84.8135.4-174.6177.20000110.6H109 W114 G115 F118 D151H109-S112 PolarHBondContact O-N 3.09Å; S112-W114 PolarHBondContact O-N 3.33Å; S112-W114 WeakPolarHBondContact OG-CB 3.32Å; S112-W114 PolarHBondContact OG-N 2.91Å; S112-W114 VanDerWaalsContact OG-N 3.16Å; S112-G115 WeakPolarHBondContact O-CA 3.45Å; S112-G115 PolarHBondContact O-N 3.46Å; S112-F118 WeakPolarHBondContact O-CD2 3.2Å; S112-D151 WeakPolarHBondContact CB-OD2 3.29Å; S112-D151 PolarHBondContact OG-OD2 3.49Å
113S69.4Low80.6Confident74 Ų7436.6 Ų36.652%0.51718%0.18SC..THydrogen-bonded Turntrans-65.8-20.7171.255.40000112.7G115S113-G115 VanDerWaalsContact C-N 3.28Å
114W61.6Low80.1Confident208 Ų20842.1 Ų42.179%0.78820%0.204SC*.THydrogen-bonded Turntrans-83.2-7.1171.8-55.597.8000112.7S112 V148S112-W114 PolarHBondContact O-N 3.33Å; S112-W114 WeakPolarHBondContact OG-CB 3.32Å; S112-W114 PolarHBondContact OG-N 2.91Å; S112-W114 VanDerWaalsContact OG-N 3.16Å; W114-V148 HydrophobicContact CB-CG2 4.02Å
115G56.9Low79.9Confident12 Ų1242.1 Ų42.112%0.12420%0.204CC..SBendtrans-74.6149.8170.800000111.7S112 S113 D117S112-G115 WeakPolarHBondContact O-CA 3.45Å; S112-G115 PolarHBondContact O-N 3.46Å; S113-G115 VanDerWaalsContact C-N 3.28Å; G115-D117 PolarHBondContact O-N 3.21Å
116H60.8Low79.6Confident44 Ų4442.3 Ų42.320%0.20421%0.206CC..THydrogen-bonded Turntrans-76.9-0.1-174.767.6-78.4000114.6H109 T143 Q312H109-H116 AromaticContact CD2-CE1 3.34Å; H109-H116 PolarHBondContact CD2-CE1 3.18Å; H109-H116 AromaticContact CD2-ND1 3.83Å; H109-H116 AromaticContact CD2-NE2 3.95Å; H109-H116 AromaticContact CE1-CE1 3.94Å; H109-H116 AromaticContact CG-CE1 3.95Å; H109-H116 AromaticContact NE2-CE1 3.33Å; H109-H116 PolarHBondContact NE2-CE1 2.93Å; H109-H116 VanDerWaalsContact NE2-CE1 3.33Å; H109-H116 AromaticContact NE2-NE2 3.59Å; H116-T143 PolarHBondContact CE1-OG1 3.14Å; H116-T143 VanDerWaalsContact CE1-OG1 3.24Å; H116-Q312 PolarHBondContact NE2-OE1 3.35Å; H116-Q312 VanDerWaalsContact NE2-OE1 3.13Å
117D70.9Confident79.5Confident59 Ų5944.5 Ų44.532%0.31622%0.222SC..THydrogen-bonded Turntrans-142.146.7178.6-78.2-48.5000110.8H109 C110 G115 R119H109-D117 IonicContact NE2-OD2 3.36Å; C110-D117 WeakPolarHBondContact CA-O 3.22Å; C110-D117 WeakPolarHBondContact CB-O 2.97Å; C110-D117 PolarHBondContact SG-O 2.85Å; G115-D117 PolarHBondContact O-N 3.21Å; D117-R119 PolarHBondContact O-N 3.29Å
118F71.1Confident79.8Confident79 Ų7943.7 Ų43.735%0.34622%0.218SC..  trans-54.8135.7-177.8173.2-117.6000112.7C110 S112 P120 L123C110-F118 WeakPolarHBondContact O-CA 3.31Å; S112-F118 WeakPolarHBondContact O-CD2 3.2Å; F118-P120 HydrophobicContact CD1-CG 4.5Å; F118-P120 HydrophobicContact CE1-CB 4.39Å; F118-P120 HydrophobicContact CE1-CG 3.8Å; F118-P120 HydrophobicContact CZ-CB 4.27Å; F118-P120 HydrophobicContact CZ-CG 4.16Å; F118-L123 HydrophobicContact CE2-CD1 4.12Å; F118-L123 HydrophobicContact CE2-CD2 4.17Å; F118-L123 HydrophobicContact CE2-CG 4.05Å; F118-L123 HydrophobicContact CZ-CD1 3.79Å; F118-L123 HydrophobicContact CZ-CG 4.21Å
119R76Confident79.8Confident57 Ų5744.6 Ų44.622%0.21522%0.222CC..  trans-130.3114174-74.1-165.5-177.7-156.19.6111P27 E80 C110 D117 E121 Y122P27-R119 VanDerWaalsContact O-CZ 3.31Å; P27-R119 PolarHBondContact O-NH1 2.95Å; P27-R119 PolarHBondContact O-NH2 3.36Å; E80-R119 IonicContact OE1-NH1 2.76Å; C110-R119 PolarHBondContact O-N 3.5Å; D117-R119 PolarHBondContact O-N 3.29Å; R119-E121 PolarHBondContact O-N 2.76Å; R119-Y122 HydrophobicContact CB-CD2 3.77Å; R119-Y122 HydrophobicContact CB-CE2 4.36Å; R119-Y122 WeakPolarHBondContact O-CB 3.25Å; R119-Y122 PolarHBondContact O-N 3.06Å
120P79Confident79.9Confident71 Ų7149.7 Ų49.746%0.46125%0.253SS..Hα-helixtrans-53.5-32-177-2632.5000114.5F118 Y122 L123F118-P120 HydrophobicContact CD1-CG 4.5Å; F118-P120 HydrophobicContact CE1-CB 4.39Å; F118-P120 HydrophobicContact CE1-CG 3.8Å; F118-P120 HydrophobicContact CZ-CB 4.27Å; F118-P120 HydrophobicContact CZ-CG 4.16Å; P120-Y122 VanDerWaalsContact C-N 3.25Å; P120-Y122 PolarHBondContact O-N 3.34Å; P120-L123 VanDerWaalsContact O-CB 3.29Å; P120-L123 WeakPolarHBondContact O-CB 3.42Å; P120-L123 WeakPolarHBondContact O-CG 3.36Å; P120-L123 PolarHBondContact O-N 3.34Å; P120-L123 VanDerWaalsContact O-N 3.14Å
121E83.6Confident80.3Confident65 Ų6554.9 Ų54.930%0.30428%0.277SS..Hα-helixtrans-69.1-22.9-176.9-62.384.9177.100113P79 E80 R119 L123 K124P79-E121 HydrophobicContact CB-CB 3.72Å; E80-E121 HydrophobicContact CG-CG 4.06Å; R119-E121 PolarHBondContact O-N 2.76Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 3.37Å; E121-K124 PolarHBondContact O-N 3.47Å
122Y85Confident80.7Confident0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-66.3-30.1172.6-90.3-95.8000112.3P27 P79 V105 D106 C110 V111 R119 P120 K124 L125P27-Y122 HydrophobicContact CB-CE2 4.16Å; P27-Y122 WeakPolarHBondContact CD-OH 3.17Å; P79-Y122 HydrophobicContact CB-CD2 3.95Å; P79-Y122 HydrophobicContact CB-CE2 4.18Å; P79-Y122 HydrophobicContact CB-CG 4.43Å; P79-Y122 HydrophobicContact CG-CD1 4.47Å; P79-Y122 HydrophobicContact CG-CD2 3.33Å; P79-Y122 HydrophobicContact CG-CE1 4.27Å; P79-Y122 HydrophobicContact CG-CE2 3.08Å; P79-Y122 HydrophobicContact CG-CG 4.06Å; V105-Y122 HydrophobicContact CG1-CD1 3.89Å; V105-Y122 HydrophobicContact CG1-CE1 3.54Å; D106-Y122 PolarHBondContact O-OH 2.89Å; D106-Y122 VanDerWaalsContact O-OH 3.12Å; C110-Y122 HydrophobicContact CB-CD2 4.1Å; C110-Y122 HydrophobicContact CB-CE2 3.91Å; V111-Y122 HydrophobicContact CG2-CD1 3.44Å; V111-Y122 VanDerWaalsContact CG2-CD1 3.44Å; V111-Y122 HydrophobicContact CG2-CE1 4.26Å; V111-Y122 HydrophobicContact CG2-CG 3.99Å; R119-Y122 HydrophobicContact CB-CD2 3.77Å; R119-Y122 HydrophobicContact CB-CE2 4.36Å; R119-Y122 WeakPolarHBondContact O-CB 3.25Å; R119-Y122 PolarHBondContact O-N 3.06Å; P120-Y122 VanDerWaalsContact C-N 3.25Å; P120-Y122 PolarHBondContact O-N 3.34Å; Y122-K124 PolarHBondContact O-N 3.49Å; Y122-L125 HydrophobicContact CD1-CD1 3.53Å; Y122-L125 HydrophobicContact CE1-CD1 4.07Å; Y122-L125 HydrophobicContact CG-CD1 4.18Å; Y122-L125 VanDerWaalsContact O-CB 3.26Å; Y122-L125 WeakPolarHBondContact O-CB 3.32Å; Y122-L125 WeakPolarHBondContact O-CG 3.39Å; Y122-L125 PolarHBondContact O-N 2.88Å
123L83.2Confident81.2Confident71 Ų7159.2 Ų59.237%0.37230%0.303SS..Hα-helixtrans-58.9-32.8178.6-62.8175.7000111.7F118 P120 E121 L125 G126 L155F118-L123 HydrophobicContact CE2-CD1 4.12Å; F118-L123 HydrophobicContact CE2-CD2 4.17Å; F118-L123 HydrophobicContact CE2-CG 4.05Å; F118-L123 HydrophobicContact CZ-CD1 3.79Å; F118-L123 HydrophobicContact CZ-CG 4.21Å; P120-L123 VanDerWaalsContact O-CB 3.29Å; P120-L123 WeakPolarHBondContact O-CB 3.42Å; P120-L123 WeakPolarHBondContact O-CG 3.36Å; P120-L123 PolarHBondContact O-N 3.34Å; P120-L123 VanDerWaalsContact O-N 3.14Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 3.37Å; L123-L125 PolarHBondContact O-N 3.35Å; L123-G126 PolarHBondContact O-N 2.86Å; L123-L155 HydrophobicContact CD2-CD1 3.81Å; L123-L155 HydrophobicContact CD2-CD2 3.76Å; L123-L155 HydrophobicContact CD2-CG 4.27Å
124K87.2Confident82.3Confident115 Ų11560.5 Ų60.550%0.531%0.311SS..THydrogen-bonded Turntrans-73.5-16.1-179.2-61.2-177.2-178.4177.60112.8Q83 E121 Y122 G126 S127Q83-K124 HydrophobicContact CG-CD 4.05Å; E121-K124 PolarHBondContact O-N 3.47Å; Y122-K124 PolarHBondContact O-N 3.49Å; K124-G126 PolarHBondContact O-N 3.5Å; K124-S127 WeakPolarHBondContact O-CB 3.48Å; K124-S127 PolarHBondContact O-N 3.08Å; K124-S127 PolarHBondContact O-OG 3.21Å
125L91.4Very high83.8Confident0 Ų050.9 Ų50.90%028%0.276CS..THydrogen-bonded Turntrans-63.6-30.5176.8-61.9179.6000111.6F25 A82 Y122 L123 S127 L128 W137 L156F25-L125 HydrophobicContact CB-CD1 4.03Å; F25-L125 HydrophobicContact CD1-CD1 4.29Å; F25-L125 HydrophobicContact CD1-CD2 3.78Å; F25-L125 HydrophobicContact CD2-CD1 4.05Å; F25-L125 HydrophobicContact CD2-CD2 4.39Å; F25-L125 HydrophobicContact CE1-CD2 3.71Å; F25-L125 HydrophobicContact CE2-CD2 4.29Å; F25-L125 HydrophobicContact CG-CD1 3.86Å; F25-L125 HydrophobicContact CG-CD2 4.13Å; F25-L125 HydrophobicContact CZ-CD2 3.97Å; A82-L125 HydrophobicContact CB-CD2 3.83Å; Y122-L125 HydrophobicContact CD1-CD1 3.53Å; Y122-L125 HydrophobicContact CE1-CD1 4.07Å; Y122-L125 HydrophobicContact CG-CD1 4.18Å; Y122-L125 VanDerWaalsContact O-CB 3.26Å; Y122-L125 WeakPolarHBondContact O-CB 3.32Å; Y122-L125 WeakPolarHBondContact O-CG 3.39Å; Y122-L125 PolarHBondContact O-N 2.88Å; L123-L125 PolarHBondContact O-N 3.35Å; L125-S127 PolarHBondContact O-N 3.13Å; L125-L128 HydrophobicContact CD2-CD1 4.07Å; L125-L128 WeakPolarHBondContact O-CB 3.27Å; L125-L128 PolarHBondContact O-N 2.9Å; L125-W137 HydrophobicContact CB-CH2 4.34Å; L125-W137 HydrophobicContact CB-CZ3 4.49Å; L125-W137 VanDerWaalsContact O-CH2 3.27Å; L125-W137 WeakPolarHBondContact O-CH2 3.49Å; L125-L156 HydrophobicContact CB-CD2 4.24Å
126G88.5Confident85.6Confident4 Ų453.6 Ų53.64%0.04129%0.291CS..Hα-helixtrans-55.8-25.9176.400000113.9L123 K124 L128 R129 L155 N157L123-G126 PolarHBondContact O-N 2.86Å; K124-G126 PolarHBondContact O-N 3.5Å; G126-L128 VanDerWaalsContact C-N 3.34Å; G126-L128 PolarHBondContact O-N 3.26Å; G126-R129 WeakPolarHBondContact O-CB 3.44Å; G126-R129 PolarHBondContact O-N 2.96Å; G126-L155 WeakPolarHBondContact CA-O 3.45Å; G126-N157 PolarHBondContact O-ND2 3.12Å
127S90.4Very high87.3Confident53 Ų5352.9 Ų52.937%0.37129%0.287SS..Hα-helixtrans-68.8-28.8175.670.70000113.6K124 L125 R129 T130 Q131K124-S127 WeakPolarHBondContact O-CB 3.48Å; K124-S127 PolarHBondContact O-N 3.08Å; K124-S127 PolarHBondContact O-OG 3.21Å; L125-S127 PolarHBondContact O-N 3.13Å; S127-R129 VanDerWaalsContact C-N 3.27Å; S127-R129 PolarHBondContact O-N 3.44Å; S127-T130 PolarHBondContact O-N 3.12Å; S127-Q131 PolarHBondContact O-N 3.21Å
128L92.6Very high88.5Confident3 Ų352.8 Ų52.82%0.01629%0.286CS..Hα-helixtrans-67.6-30177.1-67.1173000111.5F25 F87 F103 L125 G126 T130 Q131 Y132 W137F25-L128 HydrophobicContact CE1-CD1 4.27Å; F25-L128 HydrophobicContact CE2-CD1 4.4Å; F25-L128 HydrophobicContact CZ-CD1 3.62Å; F87-L128 HydrophobicContact CE1-CD1 4.04Å; F87-L128 HydrophobicContact CE1-CD2 4.29Å; F87-L128 HydrophobicContact CZ-CD1 4.41Å; F103-L128 HydrophobicContact CE1-CD1 4.48Å; L125-L128 HydrophobicContact CD2-CD1 4.07Å; L125-L128 WeakPolarHBondContact O-CB 3.27Å; L125-L128 PolarHBondContact O-N 2.9Å; G126-L128 VanDerWaalsContact C-N 3.34Å; G126-L128 PolarHBondContact O-N 3.26Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.45Å; L128-Q131 PolarHBondContact O-N 2.98Å; L128-Y132 HydrophobicContact CD2-CD2 4.37Å; L128-Y132 HydrophobicContact CD2-CE2 4.06Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 3.35Å; L128-W137 HydrophobicContact CB-CH2 4.16Å; L128-W137 HydrophobicContact CB-CZ2 3.91Å
129R90.8Very high89.6Confident20 Ų2050.9 Ų50.98%0.07529%0.285CS..Hα-helixtrans-62.1-42.3174.5169.365.676.9-171.37111.3G126 S127 Q131 Y132 P133 V135 W137 N157G126-R129 WeakPolarHBondContact O-CB 3.44Å; G126-R129 PolarHBondContact O-N 2.96Å; S127-R129 VanDerWaalsContact C-N 3.27Å; S127-R129 PolarHBondContact O-N 3.44Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-Y132 CarbonylContact O-C 3.43Å; R129-Y132 PolarHBondContact O-N 3.28Å; R129-P133 WeakPolarHBondContact O-CA 3.5Å; R129-V135 PolarHBondContact NH1-O 3.39Å; R129-W137 HydrophobicContact CB-CZ2 4.04Å; R129-W137 VanDerWaalsContact CZ-CG 3.42Å; R129-N157 HydrophobicContact CB-CB 4.14Å; R129-N157 HydrophobicContact CG-CB 3.82Å; R129-N157 VanDerWaalsContact CG-O 3.3Å; R129-N157 WeakPolarHBondContact CG-O 3.48Å; R129-N157 PolarHBondContact NE-O 3.17Å
130T89.4Confident90.5Very high108 Ų10848.7 Ų48.766%0.66328%0.277SS*.Hα-helixtrans-66.3-38179.4-48.90000111.1S127 L128S127-T130 PolarHBondContact O-N 3.12Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.45Å
131Q91.5Very high91Very high109 Ų10946.5 Ų46.551%0.50926%0.263SS..Hα-helixtrans-74.3-34.5178.6-65.4178.534.600113.1S127 L128 R129 P133S127-Q131 PolarHBondContact O-N 3.21Å; L128-Q131 PolarHBondContact O-N 2.98Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; Q131-P133 VanDerWaalsContact C-CD 3.44Å; Q131-P133 WeakPolarHBondContact O-CD 3.25Å
132Y93.8Very high91Very high23 Ų2344.2 Ų44.29%0.0926%0.255CS..  trans-126.465.7-175.5-52.5-69.9000111.5I91 S95 L100 F103 L128 R129 S134 V135I91-Y132 HydrophobicContact CB-CE2 4.47Å; I91-Y132 HydrophobicContact CG2-CD2 3.92Å; I91-Y132 HydrophobicContact CG2-CE1 4.05Å; I91-Y132 HydrophobicContact CG2-CE2 3.35Å; I91-Y132 HydrophobicContact CG2-CG 4.48Å; I91-Y132 VanDerWaalsContact CG2-CZ 3.42Å; S95-Y132 WeakPolarHBondContact OG-CD1 3.15Å; L100-Y132 HydrophobicContact CD2-CD1 4.45Å; L100-Y132 HydrophobicContact CD2-CG 4.36Å; F103-Y132 HydrophobicContact CE2-CD2 4.24Å; F103-Y132 HydrophobicContact CE2-CG 4.45Å; F103-Y132 HydrophobicContact CZ-CD2 4.21Å; L128-Y132 HydrophobicContact CD2-CD2 4.37Å; L128-Y132 HydrophobicContact CD2-CE2 4.06Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 3.35Å; R129-Y132 CarbonylContact O-C 3.43Å; R129-Y132 PolarHBondContact O-N 3.28Å; Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-S134 PolarHBondContact O-N 2.85Å; Y132-V135 PolarHBondContact O-N 3.05Å
133P92.2Very high90.6Very high69 Ų6944.9 Ų44.945%0.44826%0.259SS..THydrogen-bonded Turntrans-68.7-23.3-170.727.2-35.6000113.4R129 Q131 K159R129-P133 WeakPolarHBondContact O-CA 3.5Å; Q131-P133 VanDerWaalsContact C-CD 3.44Å; Q131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-K159 WeakPolarHBondContact O-CE 3.31Å; P133-K159 PolarHBondContact O-NZ 3.1Å
134S91.7Very high90.7Very high100 Ų10042.8 Ų42.870%0.69925%0.252SS*.THydrogen-bonded Turntrans-75.9-21.6-179.753.70000113.8Y132Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-S134 PolarHBondContact O-N 2.85Å
135V94.7Very high90.6Very high7 Ų740.6 Ų40.64%0.04225%0.248CC..SBendtrans-76.2128.7-174-1750000110.1L100 F103 R129 Y132 W137L100-V135 HydrophobicContact CB-CG2 4.36Å; L100-V135 HydrophobicContact CD2-CG2 3.67Å; L100-V135 HydrophobicContact CG-CG1 4.18Å; L100-V135 HydrophobicContact CG-CG2 3.85Å; F103-V135 HydrophobicContact CD2-CB 3.95Å; F103-V135 HydrophobicContact CD2-CG1 3.53Å; F103-V135 HydrophobicContact CE2-CB 4.13Å; F103-V135 HydrophobicContact CE2-CG1 3.98Å; F103-V135 HydrophobicContact CE2-CG2 4.28Å; F103-V135 HydrophobicContact CG-CG1 4.35Å; R129-V135 PolarHBondContact NH1-O 3.39Å; Y132-V135 PolarHBondContact O-N 3.05Å; V135-W137 VanDerWaalsContact O-CD1 3.27Å
136P94.6Very high90.4Very high69 Ų6945.3 Ų45.345%0.44827%0.273SS..  trans-69.7146.9174.5-11.825.9000111.7A101 Y102 F103A101-P136 WeakPolarHBondContact O-CD 3.43Å; Y102-P136 HydrophobicContact CD1-CB 3.93Å; Y102-P136 HydrophobicContact CD1-CG 3.94Å; Y102-P136 HydrophobicContact CE1-CB 4.36Å; Y102-P136 HydrophobicContact CE1-CG 4.09Å; F103-P136 PolarHBondContact N-O 3.36Å
137W96Very high90.3Very high28 Ų2848.8 Ų48.811%0.10630%0.297CS..EExtended strand (participates in β ladder)trans-119.9148.1177.3-68.735.8000111.4F103 V105 L125 L128 R129 V135 L156 L158F103-W137 HydrophobicContact CB-CD2 3.74Å; F103-W137 HydrophobicContact CB-CE3 4.31Å; F103-W137 HydrophobicContact CB-CG 3.83Å; F103-W137 HydrophobicContact CB-CZ2 4.16Å; F103-W137 AromaticContact CD2-CD1 3.92Å; F103-W137 AromaticContact CD2-CE2 3.69Å; F103-W137 AromaticContact CD2-CZ2 3.91Å; F103-W137 HydrophobicContact CD2-CZ2 3.91Å; F103-W137 AromaticContact CD2-NE1 3.3Å; F103-W137 VanDerWaalsContact CD2-NE1 3.3Å; F103-W137 HydrophobicContact CE2-CZ2 4.5Å; F103-W137 HydrophobicContact CG-CD2 4.48Å; F103-W137 AromaticContact CG-CE2 3.91Å; F103-W137 HydrophobicContact CG-CZ2 4.07Å; F103-W137 AromaticContact CG-NE1 3.89Å; F103-W137 CarbonylContact O-C 3.54Å; F103-W137 WeakPolarHBondContact O-CA 3.36Å; V105-W137 HydrophobicContact CG2-CE3 4.09Å; V105-W137 HydrophobicContact CG2-CZ3 4.01Å; L125-W137 HydrophobicContact CB-CH2 4.34Å; L125-W137 HydrophobicContact CB-CZ3 4.49Å; L125-W137 VanDerWaalsContact O-CH2 3.27Å; L125-W137 WeakPolarHBondContact O-CH2 3.49Å; L128-W137 HydrophobicContact CB-CH2 4.16Å; L128-W137 HydrophobicContact CB-CZ2 3.91Å; R129-W137 HydrophobicContact CB-CZ2 4.04Å; R129-W137 VanDerWaalsContact CZ-CG 3.42Å; V135-W137 VanDerWaalsContact O-CD1 3.27Å; W137-L156 HydrophobicContact CE3-CB 4.33Å; W137-L156 HydrophobicContact CZ3-CB 4.29Å; W137-L156 HydrophobicContact CZ3-CD2 4.08Å; W137-L158 HydrophobicContact CB-CD2 3.77Å; W137-L158 HydrophobicContact CD2-CD2 4.49Å; W137-L158 HydrophobicContact CE3-CD2 4.3Å; W137-L158 HydrophobicContact CG-CD2 4.34Å
138I95.6Very high90.2Very high57 Ų5746.7 Ų46.729%0.29228%0.282SS..EExtended strand (participates in β ladder)trans-131.1128174.9-54.1173.7000107.8F103 V104 V105 L140F103-I138 PolarHBondContact O-N 3.12Å; V104-I138 CarbonylContact C-O 3.5Å; V104-I138 WeakPolarHBondContact CA-O 3.31Å; V105-I138 PolarHBondContact N-O 2.9Å; I138-L140 HydrophobicContact CB-CD1 4.43Å; I138-L140 HydrophobicContact CG2-CD1 3.65Å; I138-L140 HydrophobicContact CG2-CG 4Å
139A94.8Very high90.1Very high40 Ų4048 Ų4833%0.33129%0.293SS..EExtended strand (participates in β ladder)trans-113.4126.5173.200000109.2V105 A108 I152 L156V105-A139 HydrophobicContact CB-CB 4.41Å; V105-A139 WeakPolarHBondContact O-CA 3.25Å; A108-A139 HydrophobicContact CB-CB 3.85Å; A139-I152 HydrophobicContact CB-CG2 4.14Å; A139-L156 HydrophobicContact CB-CD1 4.06Å
140L93.7Very high90.1Very high11 Ų1152 Ų526%0.05831%0.313CS..  trans-120.5133.5-177.2-56.4100000110.7M1 K7 C10 Y11 V104 V105 E107 A108 I138M1-L140 HydrophobicContact CE-CD2 4.39Å; K7-L140 HydrophobicContact CB-CD2 4.03Å; K7-L140 HydrophobicContact CD-CB 4.32Å; K7-L140 WeakPolarHBondContact O-CD2 3.3Å; C10-L140 HydrophobicContact CB-CD2 4.23Å; Y11-L140 HydrophobicContact CD1-CD1 3.73Å; Y11-L140 HydrophobicContact CD1-CD2 4.02Å; Y11-L140 HydrophobicContact CE1-CD1 4.33Å; V104-L140 HydrophobicContact CG1-CD1 3.43Å; V104-L140 VanDerWaalsContact CG1-CD1 3.43Å; V105-L140 PolarHBondContact O-N 3.08Å; E107-L140 PolarHBondContact N-O 3.22Å; A108-L140 PolarHBondContact N-O 2.99Å; I138-L140 HydrophobicContact CB-CD1 4.43Å; I138-L140 HydrophobicContact CG2-CD1 3.65Å; I138-L140 HydrophobicContact CG2-CG 4Å
141T89.4Confident90.2Very high25 Ų2548.7 Ų48.715%0.15329%0.291CS..  trans-154.7153.4177-176.90000111.6M1 H109 T143 A144M1-T141 PolarHBondContact N-O 3.22Å; H109-T141 PolarHBondContact ND1-OG1 3.48Å; H109-T141 VanDerWaalsContact ND1-OG1 3.12Å; T141-T143 PolarHBondContact OG1-N 3.36Å; T141-A144 HydrophobicContact CG2-CB 3.49Å; T141-A144 VanDerWaalsContact CG2-CB 3.49Å
142A83.8Confident90.3Very high16 Ų1643.9 Ų43.913%0.13227%0.269CS..SBendtrans-96.3-20.7174.200000114.4M1M1-A142 WeakPolarHBondContact O-CA 3.31Å; M1-A142 WeakPolarHBondContact O-CB 3.46Å
143T78Confident90.3Very high14 Ų1443 Ų439%0.08627%0.267CS..SBendtrans-132.428.9-15846.50000112.8H109 H116 T141 Y311 Q312H109-T143 PolarHBondContact ND1-OG1 2.94Å; H116-T143 PolarHBondContact CE1-OG1 3.14Å; H116-T143 VanDerWaalsContact CE1-OG1 3.24Å; T141-T143 PolarHBondContact OG1-N 3.36Å; T143-Y311 HydrophobicContact CG2-CD1 4.17Å; T143-Q312 HydrophobicContact CG2-CB 3.96Å; T143-Q312 HydrophobicContact CG2-CG 4.33Å
144A84.2Confident90.3Very high28 Ų2844.6 Ų44.623%0.23127%0.271CS..  trans-93.3128.2175.500000111.4T141 V148 A149 I152T141-A144 HydrophobicContact CG2-CB 3.49Å; T141-A144 VanDerWaalsContact CG2-CB 3.49Å; A144-V148 HydrophobicContact CB-CB 4.21Å; A144-V148 HydrophobicContact CB-CG1 3.88Å; A144-A149 HydrophobicContact CB-CB 4.4Å; A144-I152 HydrophobicContact CB-CD1 4.35Å
145T84.5Confident90.3Very high69 Ų6942.2 Ų42.242%0.42325%0.251SS..  trans-69.5168.3159.758.80000109.7S147 V148 A149T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 2.94Å; T145-S147 PolarHBondContact OG1-OG 3.19Å; T145-V148 PolarHBondContact O-N 3.09Å; T145-V148 VanDerWaalsContact OG1-CG2 3.27Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.49Å; T145-V148 PolarHBondContact OG1-N 3.14Å; T145-A149 WeakPolarHBondContact O-CB 3.34Å; T145-A149 PolarHBondContact O-N 2.83Å
146D87.3Confident90.3Very high98 Ų9841.9 Ų41.952%0.52425%0.249SC..Hα-helixtrans-64.4-35.7-179.6-60-37000111.5A149 E150 K166D146-A149 PolarHBondContact O-N 3.01Å; D146-E150 WeakPolarHBondContact O-CG 3.23Å; D146-E150 PolarHBondContact O-N 3.39Å; D146-K166 IonicContact OD1-NZ 2.83Å; D146-K166 PolarHBondContact OD1-NZ 3.14Å; D146-K166 IonicContact OD2-NZ 2.8Å; D146-K166 PolarHBondContact OD2-NZ 3.49Å
147S87.9Confident90.2Very high78 Ų7842.7 Ų42.755%0.54525%0.249SC..Hα-helixtrans-62.5-45.2171.856.80000113.1T145 A149 E150 D151T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 2.94Å; T145-S147 PolarHBondContact OG1-OG 3.19Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 3.3Å; S147-E150 PolarHBondContact O-N 3.36Å; S147-D151 PolarHBondContact O-N 2.8Å
148V87Confident90.1Very high8 Ų842.5 Ų42.55%0.04825%0.25CS..Hα-helixtrans-66-37.2177.1170.60000110.6W114 A144 T145 E150 D151 I152W114-V148 HydrophobicContact CB-CG2 4.02Å; A144-V148 HydrophobicContact CB-CB 4.21Å; A144-V148 HydrophobicContact CB-CG1 3.88Å; T145-V148 PolarHBondContact O-N 3.09Å; T145-V148 VanDerWaalsContact OG1-CG2 3.27Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.49Å; T145-V148 PolarHBondContact OG1-N 3.14Å; V148-E150 VanDerWaalsContact C-N 3.34Å; V148-E150 PolarHBondContact O-N 3.47Å; V148-D151 PolarHBondContact O-N 2.95Å; V148-I152 HydrophobicContact CG1-CD1 3.87Å; V148-I152 HydrophobicContact CG1-CG1 4.33Å; V148-I152 WeakPolarHBondContact O-CB 3.26Å; V148-I152 WeakPolarHBondContact O-CD1 3.33Å; V148-I152 WeakPolarHBondContact O-CG1 3.29Å; V148-I152 PolarHBondContact O-N 2.9Å
149A90.9Very high89.8Confident31 Ų3145.8 Ų45.826%0.25626%0.262SS..Hα-helixtrans-65.2-37.3177.200000112.6A144 T145 D146 S147 A153A144-A149 HydrophobicContact CB-CB 4.4Å; T145-A149 WeakPolarHBondContact O-CB 3.34Å; T145-A149 PolarHBondContact O-N 2.83Å; D146-A149 PolarHBondContact O-N 3.01Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 3.3Å; A149-A153 PolarHBondContact O-N 3.03Å; A149-A153 VanDerWaalsContact O-N 3.13Å
150E91.5Very high89.7Confident103 Ų10350.4 Ų50.448%0.48128%0.277SS..Hα-helixtrans-67.8-44173.1-74.5174.2-175.900111.9D146 S147 V148 I152 A153 N154 K164D146-E150 WeakPolarHBondContact O-CG 3.23Å; D146-E150 PolarHBondContact O-N 3.39Å; S147-E150 PolarHBondContact O-N 3.36Å; V148-E150 VanDerWaalsContact C-N 3.34Å; V148-E150 PolarHBondContact O-N 3.47Å; E150-I152 VanDerWaalsContact C-N 3.35Å; E150-I152 PolarHBondContact O-N 3.12Å; E150-A153 WeakPolarHBondContact O-CB 3.26Å; E150-A153 PolarHBondContact O-N 3.34Å; E150-A153 VanDerWaalsContact O-N 3.12Å; E150-N154 VanDerWaalsContact O-CG 3.3Å; E150-N154 PolarHBondContact O-N 3.05Å; E150-N154 PolarHBondContact O-ND2 3.08Å; E150-K164 IonicContact OE1-NZ 3.72Å
151D91.7Very high89.6Confident39 Ų3955.9 Ų55.921%0.20931%0.313CS..Hα-helixtrans-60.6-43.7176.5-166.339.4000111.7S112 S147 V148 A153 N154 L155S112-D151 WeakPolarHBondContact CB-OD2 3.29Å; S112-D151 PolarHBondContact OG-OD2 3.49Å; S147-D151 PolarHBondContact O-N 2.8Å; V148-D151 PolarHBondContact O-N 2.95Å; D151-A153 VanDerWaalsContact C-N 3.33Å; D151-A153 PolarHBondContact O-N 3.44Å; D151-N154 PolarHBondContact O-N 3.35Å; D151-L155 WeakPolarHBondContact O-CB 3.34Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.08Å; D151-L155 PolarHBondContact O-N 3.01Å
152I92.6Very high89.7Confident8 Ų856.5 Ų56.54%0.04132%0.317CS..Hα-helixtrans-56.7-46.5172.5-68.4163.9000111A108 V111 A139 A144 V148 E150 N154 L155 L156A108-I152 HydrophobicContact CB-CD1 4.15Å; A108-I152 HydrophobicContact CB-CG2 4.06Å; A108-I152 VanDerWaalsContact O-CD1 3.25Å; A108-I152 WeakPolarHBondContact O-CD1 3.42Å; A108-I152 VanDerWaalsContact O-CG1 3.3Å; A108-I152 WeakPolarHBondContact O-CG1 3.45Å; V111-I152 HydrophobicContact CB-CG1 4.36Å; A139-I152 HydrophobicContact CB-CG2 4.14Å; A144-I152 HydrophobicContact CB-CD1 4.35Å; V148-I152 HydrophobicContact CG1-CD1 3.87Å; V148-I152 HydrophobicContact CG1-CG1 4.33Å; V148-I152 WeakPolarHBondContact O-CB 3.26Å; V148-I152 WeakPolarHBondContact O-CD1 3.33Å; V148-I152 WeakPolarHBondContact O-CG1 3.29Å; V148-I152 PolarHBondContact O-N 2.9Å; E150-I152 VanDerWaalsContact C-N 3.35Å; E150-I152 PolarHBondContact O-N 3.12Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 3.01Å; I152-L155 PolarHBondContact O-N 2.85Å; I152-L156 HydrophobicContact CG2-CD1 3.71Å; I152-L156 HydrophobicContact CG2-CG 4.3Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 2.85Å
153A93.4Very high90.2Very high6 Ų659.3 Ų59.35%0.0534%0.34CS..Hα-helixtrans-63.2-39.3-178.200000111.9A149 E150 D151 N157 L158 V162A149-A153 PolarHBondContact O-N 3.03Å; A149-A153 VanDerWaalsContact O-N 3.13Å; E150-A153 WeakPolarHBondContact O-CB 3.26Å; E150-A153 PolarHBondContact O-N 3.34Å; E150-A153 VanDerWaalsContact O-N 3.12Å; D151-A153 VanDerWaalsContact C-N 3.33Å; D151-A153 PolarHBondContact O-N 3.44Å; A153-N157 PolarHBondContact O-N 2.93Å; A153-L158 HydrophobicContact CB-CB 4.47Å; A153-L158 HydrophobicContact CB-CD1 4.12Å; A153-L158 HydrophobicContact CB-CG 4.5Å; A153-L158 PolarHBondContact O-N 2.85Å; A153-V162 HydrophobicContact CB-CG2 4.45Å
154N92.4Very high90.9Very high101 Ų10164.7 Ų64.754%0.5436%0.362SS..Hα-helixtrans-69.5-50.4177.4-67.2-22.4000111.3E150 D151 I152 L156 N157E150-N154 VanDerWaalsContact O-CG 3.3Å; E150-N154 PolarHBondContact O-N 3.05Å; E150-N154 PolarHBondContact O-ND2 3.08Å; D151-N154 PolarHBondContact O-N 3.35Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 3.01Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 2.68Å; N154-N157 PolarHBondContact O-N 3.22Å; N154-N157 PolarHBondContact O-OD1 3.21Å
155L92.7Very high91.3Very high51 Ų5171.6 Ų71.627%0.26739%0.388SS..Hα-helixtrans-64.2-33.7-177.9-69.7172.1000113.1V111 L123 G126 D151 I152 N157V111-L155 HydrophobicContact CG1-CB 3.64Å; V111-L155 HydrophobicContact CG1-CD1 3.89Å; V111-L155 HydrophobicContact CG1-CG 4.43Å; V111-L155 WeakPolarHBondContact O-CD1 3.3Å; L123-L155 HydrophobicContact CD2-CD1 3.81Å; L123-L155 HydrophobicContact CD2-CD2 3.76Å; L123-L155 HydrophobicContact CD2-CG 4.27Å; G126-L155 WeakPolarHBondContact CA-O 3.45Å; D151-L155 WeakPolarHBondContact O-CB 3.34Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.08Å; D151-L155 PolarHBondContact O-N 3.01Å; I152-L155 PolarHBondContact O-N 2.85Å; L155-N157 VanDerWaalsContact C-N 3.29Å
156L93.4Very high91.5Very high0 Ų075.4 Ų75.40%040%0.398CS..THydrogen-bonded Turntrans-85.40.6174.6-60.8-179.1000113.5V105 V111 L125 W137 A139 I152 N154 L158V105-L156 HydrophobicContact CB-CD1 4.16Å; V105-L156 HydrophobicContact CG1-CD1 4.19Å; V105-L156 HydrophobicContact CG2-CD1 3.82Å; V105-L156 HydrophobicContact CG2-CD2 4.32Å; V111-L156 HydrophobicContact CG1-CD2 4.01Å; V111-L156 HydrophobicContact CG1-CG 4.22Å; V111-L156 HydrophobicContact CG2-CD1 4.39Å; V111-L156 HydrophobicContact CG2-CD2 3.99Å; V111-L156 HydrophobicContact CG2-CG 4.34Å; L125-L156 HydrophobicContact CB-CD2 4.24Å; W137-L156 HydrophobicContact CE3-CB 4.33Å; W137-L156 HydrophobicContact CZ3-CB 4.29Å; W137-L156 HydrophobicContact CZ3-CD2 4.08Å; A139-L156 HydrophobicContact CB-CD1 4.06Å; I152-L156 HydrophobicContact CG2-CD1 3.71Å; I152-L156 HydrophobicContact CG2-CG 4.3Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 2.68Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 HydrophobicContact CB-CD2 4.01Å; L156-L158 HydrophobicContact CB-CG 4.09Å; L156-L158 PolarHBondContact O-N 3.16Å
157N93.2Very high91.3Very high85 Ų8574.7 Ų74.746%0.45539%0.394SS..THydrogen-bonded Turntrans50.247.8-175.5-64.3-47.8000112.1G126 R129 A153 N154 L155G126-N157 PolarHBondContact O-ND2 3.12Å; R129-N157 HydrophobicContact CB-CB 4.14Å; R129-N157 HydrophobicContact CG-CB 3.82Å; R129-N157 VanDerWaalsContact CG-O 3.3Å; R129-N157 WeakPolarHBondContact CG-O 3.48Å; R129-N157 PolarHBondContact NE-O 3.17Å; A153-N157 PolarHBondContact O-N 2.93Å; N154-N157 PolarHBondContact O-N 3.22Å; N154-N157 PolarHBondContact O-OD1 3.21Å; L155-N157 VanDerWaalsContact C-N 3.29Å
158L93.1Very high91.1Very high25 Ų2575.7 Ų75.713%0.13140%0.399CS..PPolyproline II helixtrans-66.4138.1179.9-61.5-174.4000110.9W137 A153 L156 Q160 V162W137-L158 HydrophobicContact CB-CD2 3.77Å; W137-L158 HydrophobicContact CD2-CD2 4.49Å; W137-L158 HydrophobicContact CE3-CD2 4.3Å; W137-L158 HydrophobicContact CG-CD2 4.34Å; A153-L158 HydrophobicContact CB-CB 4.47Å; A153-L158 HydrophobicContact CB-CD1 4.12Å; A153-L158 HydrophobicContact CB-CG 4.5Å; A153-L158 PolarHBondContact O-N 2.85Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 HydrophobicContact CB-CD2 4.01Å; L156-L158 HydrophobicContact CB-CG 4.09Å; L156-L158 PolarHBondContact O-N 3.16Å; L158-Q160 PolarHBondContact O-N 3.37Å; L158-V162 HydrophobicContact CB-CG2 3.58Å; L158-V162 HydrophobicContact CD1-CG1 3.99Å; L158-V162 HydrophobicContact CD1-CG2 4.42Å
159K91.2Very high90.7Very high126 Ų12679.2 Ų79.255%0.54842%0.423SS..PPolyproline II helixtrans-66.4132.9179.8-72-173.4175.7-178.60110.8P133 P161 V162P133-K159 WeakPolarHBondContact O-CE 3.31Å; P133-K159 PolarHBondContact O-NZ 3.1Å; K159-P161 CarbonylContact O-C 3.59Å; K159-V162 WeakPolarHBondContact O-CG2 3.21Å
160Q90.8Very high90.4Very high136 Ų13686.1 Ų86.164%0.63644%0.444SS*.SBendtrans-85.3145177.1-62-61.5-17.500111.5L158L158-Q160 PolarHBondContact O-N 3.37Å
161P92.3Very high90.1Very high127 Ų12782.9 Ų82.983%0.82543%0.427SS*.SBendcis-74.9135.7-6.530.8-33.8000112.2K159 A163K159-P161 CarbonylContact O-C 3.59Å; P161-A163 PolarHBondContact O-N 3.36Å
162V91.8Very high90Very high37 Ų3785.6 Ų85.622%0.22445%0.449CS..PPolyproline II helixtrans-79.1119.2176.2-179.30000110.1A153 L158 K159 K164A153-V162 HydrophobicContact CB-CG2 4.45Å; L158-V162 HydrophobicContact CB-CG2 3.58Å; L158-V162 HydrophobicContact CD1-CG1 3.99Å; L158-V162 HydrophobicContact CD1-CG2 4.42Å; K159-V162 WeakPolarHBondContact O-CG2 3.21Å; V162-K164 PolarHBondContact O-N 3.49Å
163A93.8Very high89.9Confident75 Ų7586.3 Ų86.362%0.6245%0.453SS*.PPolyproline II helixtrans-67.4117.1171.900000110.6P161 F165P161-A163 PolarHBondContact O-N 3.36Å; A163-F165 HydrophobicContact CB-CE2 3.86Å; A163-F165 HydrophobicContact CB-CZ 4.22Å
164K92.8Very high89.8Confident128 Ų12886.6 Ų86.656%0.55745%0.454SS*.  trans-107.9124.7179.6-64.8-177.7-175.2-179.40110.1E150 V162E150-K164 IonicContact OE1-NZ 3.72Å; V162-K164 PolarHBondContact O-N 3.49Å
165F92.2Very high89.9Confident173 Ų17385.9 Ų85.976%0.75945%0.446SS*.  trans-118.6120.1175.2-57.4-82.4000109.9A163A163-F165 HydrophobicContact CB-CE2 3.86Å; A163-F165 HydrophobicContact CB-CZ 4.22Å
166K88.6Confident90Very high148 Ų14887.5 Ų87.564%0.64345%0.449SS*.  trans-124.4123.6-177.8-168.4173.4-175.6174.30109.6D146D146-K166 IonicContact OD1-NZ 2.83Å; D146-K166 PolarHBondContact OD1-NZ 3.14Å; D146-K166 IonicContact OD2-NZ 2.8Å; D146-K166 PolarHBondContact OD2-NZ 3.49Å
167N84.8Confident90Very high83 Ų8388.7 Ų88.744%0.44446%0.455SS..  trans-96.2147.6169.1-71.967.5000109.1M1 C169M1-N167 HydrophobicContact CG-CB 4.48Å; M1-N167 WeakPolarHBondContact CG-OD1 3.11Å; N167-C169 PolarHBondContact O-N 3.28Å
168P83Confident90.1Very high100 Ų10088.2 Ų88.265%0.64946%0.455SS*.  trans-52.5140.2171.5-24.533.2000111.5P2 Y170P2-P168 WeakPolarHBondContact CG-O 3.41Å; P168-Y170 VanDerWaalsContact C-N 3.28Å
169C79.4Confident90.3Very high82 Ų8289.2 Ų89.255%0.55446%0.46SS*.  trans-79.2-13.9174.555.20000112.8N167 R171 Y311N167-C169 PolarHBondContact O-N 3.28Å; C169-R171 PolarHBondContact O-N 3.38Å; C169-Y311 VanDerWaalsContact CA-OH 3.27Å; C169-Y311 WeakPolarHBondContact CA-OH 3.21Å; C169-Y311 HydrophobicContact CB-CE1 4.47Å; C169-Y311 HydrophobicContact CB-CE2 3.81Å; C169-Y311 WeakPolarHBondContact CB-OH 3.18Å; C169-Y311 VanDerWaalsContact O-CE2 3.32Å; C169-Y311 WeakPolarHBondContact O-CE2 3.13Å; C169-Y311 PolarHBondContact O-OH 3.17Å; C169-Y311 VanDerWaalsContact O-OH 3.08Å
170Y83.8Confident90.4Very high176 Ų17688.3 Ų88.369%0.6946%0.456SS*.  trans-68.1132.8-176-177.4-112.6000112P168P168-Y170 VanDerWaalsContact C-N 3.28Å
171R85.7Confident90.6Very high34 Ų3482.8 Ų82.813%0.12843%0.43CS..  trans-123.9100.8174.7-64.6-170.864.6-160.7-8.1108.7C169 N173 L174 G315 A317 G318C169-R171 PolarHBondContact O-N 3.38Å; R171-N173 PolarHBondContact O-N 2.97Å; R171-N173 VanDerWaalsContact O-N 3.09Å; R171-L174 HydrophobicContact CB-CB 4.39Å; R171-L174 HydrophobicContact CB-CD1 3.91Å; R171-L174 HydrophobicContact CB-CG 3.85Å; R171-L174 HydrophobicContact CG-CD1 4.43Å; R171-L174 PolarHBondContact O-N 3.13Å; R171-G315 PolarHBondContact NH1-O 3.33Å; R171-A317 VanDerWaalsContact CZ-O 3.29Å; R171-A317 PolarHBondContact NH1-O 2.8Å; R171-A317 PolarHBondContact NH2-O 3.01Å; R171-G318 PolarHBondContact NH2-O 2.78Å
172S89.3Confident90.5Very high96 Ų9681.8 Ų81.867%0.67141%0.414SS*.THydrogen-bonded Turntrans-59.9-21.5-176.4540000114
173N90.5Very high90.6Very high24 Ų2485 Ų8513%0.12843%0.434CS..THydrogen-bonded Turntrans-86.5-4.5179.974.8-70.2000114R171 G318 G321 K322 R323 S324R171-N173 PolarHBondContact O-N 2.97Å; R171-N173 VanDerWaalsContact O-N 3.09Å; N173-G318 PolarHBondContact ND2-O 3.5Å; N173-G321 WeakPolarHBondContact CB-O 3.12Å; N173-K322 PolarHBondContact ND2-O 2.9Å; N173-R323 WeakPolarHBondContact O-CA 3.44Å; N173-S324 PolarHBondContact O-N 2.99Å
174L91.3Very high90.6Very high11 Ų1183.2 Ų83.26%0.05841%0.414CS..EExtended strand (participates in β ladder)trans-98.5123176.9-60.5-172.4000110.8R171 Y176 A317 S324R171-L174 HydrophobicContact CB-CB 4.39Å; R171-L174 HydrophobicContact CB-CD1 3.91Å; R171-L174 HydrophobicContact CB-CG 3.85Å; R171-L174 HydrophobicContact CG-CD1 4.43Å; R171-L174 PolarHBondContact O-N 3.13Å; L174-Y176 HydrophobicContact CB-CD2 4.44Å; L174-Y176 HydrophobicContact CB-CE2 3.77Å; L174-Y176 VanDerWaalsContact CD1-OH 3.31Å; L174-Y176 WeakPolarHBondContact CD1-OH 3.42Å; L174-A317 HydrophobicContact CD2-CB 3.93Å; L174-S324 WeakPolarHBondContact CA-O 3.25Å
175F94.1Very high90.5Very high87 Ų8784.7 Ų84.738%0.38243%0.433SS..EExtended strand (participates in β ladder)trans-93.8120.1171.1-178.8-96.1000109.5D177 S324 F325 C326F175-D177 HydrophobicContact CD1-CB 4.42Å; F175-D177 HydrophobicContact CE1-CB 3.74Å; F175-D177 HydrophobicContact CZ-CB 4.38Å; F175-S324 PolarHBondContact N-O 3.28Å; F175-F325 HydrophobicContact CB-CD1 4.03Å; F175-F325 HydrophobicContact CB-CE1 4.37Å; F175-F325 AromaticContact CD1-CD1 3.67Å; F175-F325 HydrophobicContact CD1-CD1 3.67Å; F175-F325 HydrophobicContact CD1-CE1 4.12Å; F175-F325 HydrophobicContact CG-CD1 4.15Å; F175-F325 HydrophobicContact CG-CE1 4.38Å; F175-C326 PolarHBondContact O-N 3.47Å
176Y94.5Very high90.6Very high85 Ų8579.8 Ų79.833%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-103.8128.2-179.8-67.6-76.5000110.6L174 Y310 C326L174-Y176 HydrophobicContact CB-CD2 4.44Å; L174-Y176 HydrophobicContact CB-CE2 3.77Å; L174-Y176 VanDerWaalsContact CD1-OH 3.31Å; L174-Y176 WeakPolarHBondContact CD1-OH 3.42Å; Y176-Y310 HydrophobicContact CD1-CE1 4.02Å; Y176-Y310 WeakPolarHBondContact CD1-OH 3.21Å; Y176-Y310 HydrophobicContact CE1-CE1 4.06Å; Y176-C326 WeakPolarHBondContact CA-O 2.94Å; Y176-C326 HydrophobicContact CD1-CB 3.53Å; Y176-C326 HydrophobicContact CE1-CB 3.64Å; Y176-C326 HydrophobicContact CG-CB 4.46Å
177D94.9Very high90.8Very high24 Ų2473.7 Ų73.713%0.12839%0.391CS..EExtended strand (participates in β ladder)trans-144.2161.3171.980.9-39.2000113.3F175 Q179 C326 R327 V328F175-D177 HydrophobicContact CD1-CB 4.42Å; F175-D177 HydrophobicContact CE1-CB 3.74Å; F175-D177 HydrophobicContact CZ-CB 4.38Å; D177-Q179 PolarHBondContact OD2-NE2 3.15Å; D177-C326 PolarHBondContact N-O 3.32Å; D177-C326 VanDerWaalsContact N-O 3.1Å; D177-R327 VanDerWaalsContact CG-NE 3.31Å; D177-R327 WeakPolarHBondContact O-CA 3.33Å; D177-R327 WeakPolarHBondContact OD1-CA 3.45Å; D177-R327 WeakPolarHBondContact OD1-CB 3.4Å; D177-R327 VanDerWaalsContact OD1-CG 3.31Å; D177-R327 WeakPolarHBondContact OD1-CG 3.46Å; D177-R327 IonicContact OD1-CZ 2.68Å; D177-R327 IonicContact OD1-NE 2.78Å; D177-R327 PolarHBondContact OD1-NE 3.02Å; D177-R327 IonicContact OD1-NH2 3.39Å; D177-R327 IonicContact OD2-CZ 2.84Å; D177-R327 IonicContact OD2-NE 3.15Å; D177-R327 PolarHBondContact OD2-NE 3.31Å; D177-R327 IonicContact OD2-NH2 3.03Å; D177-R327 PolarHBondContact OD2-NH2 3.46Å; D177-V328 PolarHBondContact O-N 2.72Å
178V95.3Very high91.2Very high75 Ų7572.3 Ų72.346%0.45538%0.381SS..EExtended strand (participates in β ladder)trans-128.3131-179.9-176.60000108.5V328V178-V328 CarbonylContact C-O 3.57Å; V178-V328 WeakPolarHBondContact CA-O 3.31Å; V178-V328 HydrophobicContact CG2-CB 4.39Å
179Q95.9Very high91.6Very high47 Ų4773.1 Ų73.122%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-115.4126.1176.2-62-63.2-32.300108.6D177 L184 R327 V328 Y329 Y330D177-Q179 PolarHBondContact OD2-NE2 3.15Å; Q179-L184 HydrophobicContact CB-CD1 4.48Å; Q179-R327 HydrophobicContact CG-CG 4.1Å; Q179-V328 PolarHBondContact N-O 3.09Å; Q179-Y329 HydrophobicContact CB-CD1 4.16Å; Q179-Y329 HydrophobicContact CB-CE1 4.17Å; Q179-Y329 CarbonylContact O-C 3.56Å; Q179-Y329 WeakPolarHBondContact O-CA 3.4Å; Q179-Y330 PolarHBondContact O-N 3.01Å
180F94.4Very high92.4Very high107 Ų10772 Ų7247%0.46936%0.361SS..EExtended strand (participates in β ladder)trans-82.6120.9177.3-64.5-94.9000108.5E182 T183 Y330F180-E182 PolarHBondContact O-N 2.61Å; F180-T183 HydrophobicContact CB-CG2 4Å; F180-T183 PolarHBondContact O-N 3.1Å; F180-T183 PolarHBondContact O-OG1 3.41Å; F180-Y330 AromaticContact CD1-CD1 3.44Å; F180-Y330 HydrophobicContact CD1-CD1 3.44Å; F180-Y330 VanDerWaalsContact CD1-CD1 3.44Å; F180-Y330 HydrophobicContact CD1-CE1 4.04Å; F180-Y330 HydrophobicContact CD1-CG 4.25Å; F180-Y330 AromaticContact CE1-CD1 3.69Å; F180-Y330 HydrophobicContact CE1-CD1 3.69Å; F180-Y330 HydrophobicContact CE1-CE1 4.07Å; F180-Y330 HydrophobicContact CE1-CG 4.28Å; F180-Y330 HydrophobicContact CG-CD1 4.49Å
181K94.1Very high92.8Very high19 Ų1963.6 Ų63.68%0.08333%0.328CS..G310 helixtrans-63-37-177.2-67.1-171.3-173.6176.40110.9T183 L184 P187 W301 Y329 Y330 E334K181-T183 PolarHBondContact O-N 2.87Å; K181-L184 PolarHBondContact O-N 3.32Å; K181-P187 HydrophobicContact CB-CG 4.25Å; K181-W301 HydrophobicContact CD-CZ2 4.41Å; K181-W301 VanDerWaalsContact CE-O 3.3Å; K181-W301 WeakPolarHBondContact CE-O 3.13Å; K181-W301 PolarHBondContact NZ-O 2.86Å; K181-Y329 HydrophobicContact CG-CD1 4.34Å; K181-Y330 WeakPolarHBondContact CG-O 3.49Å; K181-Y330 PolarHBondContact N-O 3.41Å; K181-E334 IonicContact NZ-OE1 3.11Å; K181-E334 PolarHBondContact NZ-OE1 3.38Å; K181-E334 IonicContact NZ-OE2 3.94Å; K181-E334 PolarHBondContact NZ-OE2 3.36Å
182E91.2Very high93.2Very high106 Ų10662.1 Ų62.150%0.49532%0.323SS..G310 helixtrans-64.4-22.3-179-62.980.1-177.200113.2F180 L184 S331 H332F180-E182 PolarHBondContact O-N 2.61Å; E182-L184 VanDerWaalsContact C-N 3.35Å; E182-S331 WeakPolarHBondContact OE1-CA 3.49Å; E182-S331 VanDerWaalsContact OE1-CB 3.23Å; E182-S331 WeakPolarHBondContact OE1-CB 3.37Å; E182-S331 PolarHBondContact OE1-OG 3.29Å; E182-H332 PolarHBondContact OE1-N 3.46Å
183T93.2Very high93.3Very high106 Ų10660.8 Ų60.865%0.6531%0.314SS*.G310 helixtrans-88.6-4.6177.362.20000112.9F180 K181F180-T183 HydrophobicContact CB-CG2 4Å; F180-T183 PolarHBondContact O-N 3.1Å; F180-T183 PolarHBondContact O-OG1 3.41Å; K181-T183 PolarHBondContact O-N 2.87Å
184L93.2Very high93.5Very high37 Ų3760.2 Ų60.219%0.19431%0.31CS..  trans-106.1129.1-176.3-61.5173.2000110.2Q179 K181 E182 N186 P187 H190 Y329Q179-L184 HydrophobicContact CB-CD1 4.48Å; K181-L184 PolarHBondContact O-N 3.32Å; E182-L184 VanDerWaalsContact C-N 3.35Å; L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 3.22Å; L184-P187 HydrophobicContact CB-CG 4.06Å; L184-P187 HydrophobicContact CD1-CB 4.39Å; L184-H190 HydrophobicContact CD1-CB 4.11Å; L184-H190 WeakPolarHBondContact CD1-ND1 3.11Å; L184-H190 HydrophobicContact CD2-CB 4.49Å; L184-Y329 HydrophobicContact CD1-CD1 4.25Å; L184-Y329 HydrophobicContact CD1-CE1 3.91Å
185V92.4Very high93.5Very high159 Ų15959.7 Ų59.796%0.96431%0.307SS*.SBendtrans-62.4-38.5177-1790000111.7
186N93.8Very high93.3Very high69 Ų6959.6 Ų59.637%0.36931%0.307SS..  trans-143.490.2176.9-170.1-60.7000109L184 E188 K189 H190L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 3.22Å; N186-E188 PolarHBondContact O-N 2.89Å; N186-E188 PolarHBondContact OD1-N 2.95Å; N186-E188 PolarHBondContact OD1-OE2 2.69Å; N186-K189 HydrophobicContact CB-CB 4.03Å; N186-K189 PolarHBondContact O-N 3.41Å; N186-K189 WeakPolarHBondContact OD1-CB 3.29Å; N186-K189 PolarHBondContact OD1-N 3.38Å; N186-H190 PolarHBondContact O-N 3.22Å
187P93.2Very high93Very high21 Ų2160.8 Ų60.814%0.13632%0.316CS..Hα-helixtrans-54.3-38-179.3-27.235.3000113.4K181 L184 H190 L191 W301K181-P187 HydrophobicContact CB-CG 4.25Å; L184-P187 HydrophobicContact CB-CG 4.06Å; L184-P187 HydrophobicContact CD1-CB 4.39Å; P187-H190 WeakPolarHBondContact O-CB 3.45Å; P187-H190 PolarHBondContact O-N 2.96Å; P187-L191 PolarHBondContact O-N 3.17Å; P187-W301 HydrophobicContact CB-CH2 3.51Å; P187-W301 HydrophobicContact CB-CZ2 4.09Å; P187-W301 HydrophobicContact CB-CZ3 4.46Å
188E92.2Very high92.6Very high53 Ų5359.8 Ų59.825%0.24831%0.31CS..Hα-helixtrans-66.9-46.5-176.8-6168.3-152.200111N186 H190 L191 A192 F218 F219 W301N186-E188 PolarHBondContact O-N 2.89Å; N186-E188 PolarHBondContact OD1-N 2.95Å; N186-E188 PolarHBondContact OD1-OE2 2.69Å; E188-H190 VanDerWaalsContact C-N 3.31Å; E188-L191 PolarHBondContact O-N 3.27Å; E188-A192 PolarHBondContact O-N 3.16Å; E188-F218 HydrophobicContact CG-CE1 3.93Å; E188-F218 HydrophobicContact CG-CZ 4.27Å; E188-F219 HydrophobicContact CB-CE1 4.13Å; E188-F219 HydrophobicContact CB-CZ 4.48Å; E188-F219 HydrophobicContact CG-CE1 3.98Å; E188-F219 HydrophobicContact CG-CZ 3.87Å; E188-W301 HydrophobicContact CG-CZ2 4.44Å
189K92.5Very high92.1Very high117 Ų11757 Ų5751%0.50929%0.293SS..Hα-helixtrans-64.1-39.6174.7-175.4176.2-178.1-176.90110.6N186 A192 S193N186-K189 HydrophobicContact CB-CB 4.03Å; N186-K189 PolarHBondContact O-N 3.41Å; N186-K189 WeakPolarHBondContact OD1-CB 3.29Å; N186-K189 PolarHBondContact OD1-N 3.38Å; K189-A192 PolarHBondContact O-N 2.55Å; K189-S193 PolarHBondContact O-N 2.8Å; K189-S193 PolarHBondContact O-OG 3.13Å
190H94.6Very high91.2Very high59 Ų5961.8 Ų61.827%0.27332%0.319SS..Hα-helixtrans-60.5-45.1175.6-177.5-111.1000111.6L184 N186 P187 E188 S193 F194 R327 Y329L184-H190 HydrophobicContact CD1-CB 4.11Å; L184-H190 WeakPolarHBondContact CD1-ND1 3.11Å; L184-H190 HydrophobicContact CD2-CB 4.49Å; N186-H190 PolarHBondContact O-N 3.22Å; P187-H190 WeakPolarHBondContact O-CB 3.45Å; P187-H190 PolarHBondContact O-N 2.96Å; E188-H190 VanDerWaalsContact C-N 3.31Å; H190-S193 PolarHBondContact O-N 3.41Å; H190-F194 WeakPolarHBondContact O-CB 3.36Å; H190-F194 PolarHBondContact O-N 3.01Å; H190-R327 PolarHBondContact CE1-NH1 3.47Å; H190-Y329 AromaticContact ND1-CE1 3.58Å; H190-Y329 AromaticContact ND1-CZ 3.76Å; H190-Y329 PolarHBondContact ND1-OH 2.99Å; H190-Y329 VanDerWaalsContact ND1-OH 3.14Å
191L93.7Very high90.1Very high0 Ų063.2 Ų63.20%033%0.327CS..Hα-helixtrans-60.3-47.9173.5173.758.8000112.5P187 E188 S193 F194 L195 I208 F219 V299 W301 Y329P187-L191 PolarHBondContact O-N 3.17Å; E188-L191 PolarHBondContact O-N 3.27Å; L191-S193 VanDerWaalsContact C-N 3.32Å; L191-S193 PolarHBondContact O-N 2.68Å; L191-F194 PolarHBondContact O-N 2.92Å; L191-L195 HydrophobicContact CD1-CD1 3.88Å; L191-L195 HydrophobicContact CD1-CD2 4.46Å; L191-L195 HydrophobicContact CD1-CG 3.92Å; L191-L195 HydrophobicContact CG-CD1 3.98Å; L191-L195 HydrophobicContact CG-CG 4.44Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.3Å; L191-I208 HydrophobicContact CD2-CD1 4.19Å; L191-I208 HydrophobicContact CD2-CG2 4.4Å; L191-F219 HydrophobicContact CD2-CD1 4.01Å; L191-F219 HydrophobicContact CD2-CE1 3.71Å; L191-F219 HydrophobicContact CD2-CZ 4.32Å; L191-V299 HydrophobicContact CD1-CB 4.24Å; L191-V299 HydrophobicContact CD1-CG1 3.73Å; L191-V299 HydrophobicContact CD1-CG2 3.87Å; L191-W301 HydrophobicContact CB-CZ3 3.93Å; L191-W301 HydrophobicContact CD2-CE3 3.61Å; L191-W301 HydrophobicContact CD2-CZ3 3.67Å; L191-W301 HydrophobicContact CG-CZ3 4.4Å; L191-Y329 VanDerWaalsContact CA-OH 3.25Å; L191-Y329 WeakPolarHBondContact CA-OH 3.32Å; L191-Y329 HydrophobicContact CB-CE1 4.48Å; L191-Y329 HydrophobicContact CB-CE2 4.39Å; L191-Y329 HydrophobicContact CD1-CE2 3.88Å; L191-Y329 PolarHBondContact N-OH 3.47Å
192A92.8Very high88.9Confident3 Ų364.7 Ų64.73%0.02534%0.336CS..Hα-helixtrans-60.2-42.2179.800000112.1E188 K189 K196 L223E188-A192 PolarHBondContact O-N 3.16Å; K189-A192 PolarHBondContact O-N 2.55Å; A192-K196 WeakPolarHBondContact O-CG 3.33Å; A192-K196 PolarHBondContact O-N 3.4Å; A192-K196 VanDerWaalsContact O-N 3.07Å; A192-L223 HydrophobicContact CB-CD2 3.67Å
193S92.7Very high88.2Confident67 Ų6759.9 Ų59.947%0.46932%0.315SS..Hα-helixtrans-63.2-46.9175.6-72.40000112K189 H190 L191 L195 K196 E197K189-S193 PolarHBondContact O-N 2.8Å; K189-S193 PolarHBondContact O-OG 3.13Å; H190-S193 PolarHBondContact O-N 3.41Å; L191-S193 VanDerWaalsContact C-N 3.32Å; L191-S193 PolarHBondContact O-N 2.68Å; S193-L195 PolarHBondContact O-N 3.37Å; S193-K196 PolarHBondContact O-N 3.49Å; S193-E197 PolarHBondContact O-N 3.24Å
194F93.3Very high87.7Confident12 Ų1254.9 Ų54.95%0.05329%0.285CS..Hα-helixtrans-59.1-44.2177170.8-115.7000112.6H190 L191 K196 E197 V198 V297 V299 F325 R327H190-F194 WeakPolarHBondContact O-CB 3.36Å; H190-F194 PolarHBondContact O-N 3.01Å; L191-F194 PolarHBondContact O-N 2.92Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 2.91Å; F194-E197 PolarHBondContact O-N 3.2Å; F194-V198 HydrophobicContact CD2-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 3.45Å; F194-V198 VanDerWaalsContact CE2-CG2 3.45Å; F194-V198 HydrophobicContact CZ-CG2 3.86Å; F194-V198 WeakPolarHBondContact O-CG2 3.49Å; F194-V198 PolarHBondContact O-N 3.34Å; F194-V297 HydrophobicContact CE1-CG2 3.58Å; F194-V297 HydrophobicContact CZ-CG2 4Å; F194-V299 HydrophobicContact CD1-CG2 4.36Å; F194-V299 HydrophobicContact CE1-CG2 3.99Å; F194-F325 HydrophobicContact CZ-CB 3.88Å; F194-F325 HydrophobicContact CZ-CG 4.4Å; F194-R327 HydrophobicContact CE1-CB 4.04Å; F194-R327 HydrophobicContact CZ-CB 4.31Å
195L91.5Very high87.6Confident0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-62.7-41.8176.9-70.3170.1000111.7L191 S193 L199 I208 L223 I228 V297 V299L191-L195 HydrophobicContact CD1-CD1 3.88Å; L191-L195 HydrophobicContact CD1-CD2 4.46Å; L191-L195 HydrophobicContact CD1-CG 3.92Å; L191-L195 HydrophobicContact CG-CD1 3.98Å; L191-L195 HydrophobicContact CG-CG 4.44Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.3Å; S193-L195 PolarHBondContact O-N 3.37Å; L195-L199 HydrophobicContact CB-CD1 4.44Å; L195-L199 WeakPolarHBondContact O-CB 3.21Å; L195-L199 WeakPolarHBondContact O-CD1 3.37Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 3.24Å; L195-I208 HydrophobicContact CD1-CD1 3.54Å; L195-I208 HydrophobicContact CD1-CG1 4.37Å; L195-L223 HydrophobicContact CD1-CD1 3.91Å; L195-L223 HydrophobicContact CD1-CD2 4.06Å; L195-I228 HydrophobicContact CB-CD1 4.12Å; L195-V297 HydrophobicContact CD2-CG1 3.71Å; L195-V297 HydrophobicContact CD2-CG2 4.19Å; L195-V299 HydrophobicContact CD2-CG2 4.21Å
196K89.2Confident87.5Confident86 Ų8645.6 Ų45.637%0.37423%0.23SC..Hα-helixtrans-61.6-50.1176.6-77.2-179.3178.5-1720111.2A192 S193 F194 V198 L199 L200 R226 I228A192-K196 WeakPolarHBondContact O-CG 3.33Å; A192-K196 PolarHBondContact O-N 3.4Å; A192-K196 VanDerWaalsContact O-N 3.07Å; S193-K196 PolarHBondContact O-N 3.49Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 2.91Å; K196-V198 PolarHBondContact O-N 3.37Å; K196-L199 PolarHBondContact O-N 2.82Å; K196-L200 HydrophobicContact CB-CD1 4.23Å; K196-L200 WeakPolarHBondContact O-CB 3.43Å; K196-L200 WeakPolarHBondContact O-CD1 3.41Å; K196-L200 WeakPolarHBondContact O-CG 3.39Å; K196-L200 PolarHBondContact O-N 3.49Å; K196-R226 WeakPolarHBondContact CE-O 3.27Å; K196-R226 PolarHBondContact NZ-O 2.83Å; K196-I228 HydrophobicContact CG-CD1 3.92Å; K196-I228 HydrophobicContact CG-CG1 4.09Å
197E89Confident87.4Confident110 Ų11042.3 Ų42.351%0.51421%0.212SC..Hα-helixtrans-54.1-55.7178.3-175.3-176.6167.400111S193 F194 L199 L200 E201S193-E197 PolarHBondContact O-N 3.24Å; F194-E197 PolarHBondContact O-N 3.2Å; E197-L199 PolarHBondContact O-N 2.89Å; E197-L200 PolarHBondContact O-N 3.33Å; E197-E201 WeakPolarHBondContact O-CB 3.21Å; E197-E201 WeakPolarHBondContact O-CG 3.49Å; E197-E201 PolarHBondContact O-N 2.89Å
198V87.3Confident87.4Confident3 Ų341.3 Ų41.32%0.01821%0.205CC..Hα-helixtrans-63.5-43.3-177176.20000112.2F194 K196 N202 R296 V297 F325F194-V198 HydrophobicContact CD2-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 3.45Å; F194-V198 VanDerWaalsContact CE2-CG2 3.45Å; F194-V198 HydrophobicContact CZ-CG2 3.86Å; F194-V198 WeakPolarHBondContact O-CG2 3.49Å; F194-V198 PolarHBondContact O-N 3.34Å; K196-V198 PolarHBondContact O-N 3.37Å; V198-N202 VanDerWaalsContact O-CB 3.3Å; V198-N202 WeakPolarHBondContact O-CB 3.49Å; V198-N202 PolarHBondContact O-N 3.13Å; V198-N202 PolarHBondContact O-ND2 3.2Å; V198-N202 VanDerWaalsContact O-ND2 3.08Å; V198-R296 HydrophobicContact CG1-CB 4.29Å; V198-V297 HydrophobicContact CG1-CB 4.08Å; V198-F325 HydrophobicContact CB-CD2 4.49Å; V198-F325 HydrophobicContact CG1-CD2 3.64Å; V198-F325 HydrophobicContact CG1-CE2 4.05Å; V198-F325 HydrophobicContact CG2-CD2 3.96Å; V198-F325 HydrophobicContact CG2-CE2 4.22Å; V198-F325 HydrophobicContact CG2-CG 4.26Å
199L83.8Confident87.5Confident17 Ų1739.2 Ų39.29%0.08920%0.195CC..Hα-helixtrans-78.3-27.2-176-64.1172.4000113.3L195 K196 E197 G203 G204 V256 V297L195-L199 HydrophobicContact CB-CD1 4.44Å; L195-L199 WeakPolarHBondContact O-CB 3.21Å; L195-L199 WeakPolarHBondContact O-CD1 3.37Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 3.24Å; K196-L199 PolarHBondContact O-N 2.82Å; E197-L199 PolarHBondContact O-N 2.89Å; L199-G203 WeakPolarHBondContact O-CA 3.29Å; L199-G203 PolarHBondContact O-N 2.9Å; L199-G204 WeakPolarHBondContact CD2-O 3.34Å; L199-V256 HydrophobicContact CD1-CG2 3.48Å; L199-V256 VanDerWaalsContact CD1-CG2 3.48Å; L199-V297 HydrophobicContact CD2-CG1 4.25Å
200L77.8Confident87.4Confident147 Ų14733.9 Ų33.977%0.7717%0.173SC*.Hα-helixtrans-72.9-47.1173.1-75.2167.5000110.7K196 E197K196-L200 HydrophobicContact CB-CD1 4.23Å; K196-L200 WeakPolarHBondContact O-CB 3.43Å; K196-L200 WeakPolarHBondContact O-CD1 3.41Å; K196-L200 WeakPolarHBondContact O-CG 3.39Å; K196-L200 PolarHBondContact O-N 3.49Å; E197-L200 PolarHBondContact O-N 3.33Å
201E71.7Confident87.1Confident136 Ų13635.6 Ų35.664%0.63618%0.177SC*.Hα-helixtrans-70.8-47-177.8-71.1-177.6169.900112.6E197E197-E201 WeakPolarHBondContact O-CB 3.21Å; E197-E201 WeakPolarHBondContact O-CG 3.49Å; E197-E201 PolarHBondContact O-N 2.89Å
202N67.8Low86.9Confident50 Ų5038.2 Ų38.227%0.26719%0.193SC..Hα-helixtrans-100.3-6.3-169-59.2-75.7000113.3V198 R296V198-N202 VanDerWaalsContact O-CB 3.3Å; V198-N202 WeakPolarHBondContact O-CB 3.49Å; V198-N202 PolarHBondContact O-N 3.13Å; V198-N202 PolarHBondContact O-ND2 3.2Å; V198-N202 VanDerWaalsContact O-ND2 3.08Å; N202-R296 HydrophobicContact CB-CG 4.13Å
203G76.8Confident86.9Confident6 Ų644 Ų446%0.06221%0.214CC..  trans58.4-154.7-163.400000111.6L199 R255 R296L199-G203 WeakPolarHBondContact O-CA 3.29Å; L199-G203 PolarHBondContact O-N 2.9Å; G203-R255 VanDerWaalsContact C-NH2 3.33Å; G203-R296 WeakPolarHBondContact O-CG 3.37Å
204G83.4Confident86.9Confident1 Ų146.7 Ų46.71%0.0122%0.22CC..SBendtrans78.7-167.2174.100000115.6L199 R255 F294L199-G204 WeakPolarHBondContact CD2-O 3.34Å; G204-R255 VanDerWaalsContact N-NH2 3.14Å; G204-R255 PolarHBondContact O-NE 3.19Å; G204-R255 PolarHBondContact O-NH2 3.05Å; G204-F294 CarbonylContact C-O 3.53Å; G204-F294 WeakPolarHBondContact CA-O 3.3Å
205S89.2Confident86.9Confident0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-121.6164.2-171.5-41.10000111.1N252 R255 K269 F294 L295 R296 V297S205-N252 PolarHBondContact OG-OD1 3.32Å; S205-R255 CarbonylContact C-O 3.41Å; S205-R255 WeakPolarHBondContact CA-O 3.49Å; S205-R255 VanDerWaalsContact CB-O 3.26Å; S205-R255 WeakPolarHBondContact CB-O 3.46Å; S205-K269 WeakPolarHBondContact OG-CE 3.2Å; S205-F294 PolarHBondContact N-O 3.49Å; S205-L295 VanDerWaalsContact O-CD1 3.3Å; S205-L295 WeakPolarHBondContact O-CD1 3.36Å; S205-R296 PolarHBondContact O-N 3Å; S205-V297 PolarHBondContact O-N 3.18Å
206G90.5Very high86.9Confident0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-128.8157.2178.100000113.6W249 R255 V256 V257 V297G206-W249 PolarHBondContact O-NE1 2.84Å; G206-R255 PolarHBondContact N-O 3.47Å; G206-V256 WeakPolarHBondContact O-CA 3.46Å; G206-V257 PolarHBondContact O-N 3.16Å; G206-V297 CarbonylContact C-O 3.53Å; G206-V297 VanDerWaalsContact CA-CG1 3.45Å; G206-V297 VanDerWaalsContact CA-O 3.24Å; G206-V297 WeakPolarHBondContact CA-O 3.45Å
207I92.1Very high87.2Confident0 Ų048.9 Ų48.90%023%0.234CC..EExtended strand (participates in β ladder)trans-126137165.8-61.2172.4000108.2Y209 W249 V257 F263 L295 V297 V298 V299I207-Y209 HydrophobicContact CG2-CD1 4.42Å; I207-Y209 HydrophobicContact CG2-CD2 3.99Å; I207-Y209 HydrophobicContact CG2-CE1 4.16Å; I207-Y209 HydrophobicContact CG2-CE2 3.7Å; I207-Y209 HydrophobicContact CG2-CG 4.34Å; I207-W249 HydrophobicContact CD1-CH2 3.92Å; I207-W249 HydrophobicContact CD1-CZ2 3.88Å; I207-W249 HydrophobicContact CG1-CH2 4.26Å; I207-W249 HydrophobicContact CG1-CZ2 3.7Å; I207-V257 CarbonylContact C-O 3.5Å; I207-V257 WeakPolarHBondContact CA-O 3.48Å; I207-F263 HydrophobicContact CD1-CD1 4.07Å; I207-F263 HydrophobicContact CD1-CE1 3.72Å; I207-F263 HydrophobicContact CG1-CD1 4.41Å; I207-F263 HydrophobicContact CG1-CE1 3.99Å; I207-F263 HydrophobicContact CG2-CD1 4.31Å; I207-L295 HydrophobicContact CB-CD1 4.49Å; I207-L295 HydrophobicContact CD1-CD1 4.26Å; I207-L295 HydrophobicContact CD1-CD2 3.58Å; I207-L295 HydrophobicContact CG1-CD1 3.91Å; I207-L295 HydrophobicContact CG1-CD2 4.16Å; I207-V297 PolarHBondContact N-O 3.32Å; I207-V298 CarbonylContact O-C 3.59Å; I207-V298 WeakPolarHBondContact O-CA 3.48Å; I207-V299 PolarHBondContact O-N 3.25Å
208I94.2Very high87.5Confident0 Ų048.5 Ų48.50%023%0.231CC..EExtended strand (participates in β ladder)trans-117.9116.1170.3-50.4176.8000107.4L191 L195 L223 V256 V257 V258 A259 V299 W301L191-I208 HydrophobicContact CD2-CD1 4.19Å; L191-I208 HydrophobicContact CD2-CG2 4.4Å; L195-I208 HydrophobicContact CD1-CD1 3.54Å; L195-I208 HydrophobicContact CD1-CG1 4.37Å; I208-L223 HydrophobicContact CD1-CD1 3.34Å; I208-V256 HydrophobicContact CD1-CG1 3.79Å; I208-V256 HydrophobicContact CG1-CG1 3.82Å; I208-V257 PolarHBondContact N-O 3.37Å; I208-V258 HydrophobicContact CB-CG1 4.24Å; I208-V258 HydrophobicContact CB-CG2 4.46Å; I208-V258 HydrophobicContact CD1-CG2 4.09Å; I208-V258 HydrophobicContact CG2-CG1 4.44Å; I208-V258 CarbonylContact O-C 3.59Å; I208-V258 WeakPolarHBondContact O-CA 3.34Å; I208-A259 PolarHBondContact O-N 3.45Å; I208-V299 CarbonylContact C-O 3.5Å; I208-V299 WeakPolarHBondContact CA-O 3.25Å; I208-V299 HydrophobicContact CG1-CB 4.33Å; I208-V299 HydrophobicContact CG2-CB 4.27Å; I208-V299 HydrophobicContact CG2-CG1 4.33Å; I208-W301 HydrophobicContact CG2-CB 4.4Å
209Y93.1Very high87.7Confident9 Ų948.4 Ų48.44%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-88.5121.3174.6-76.2-65.2000110.8I207 A259 F263 V298 V299 H300 W301 E313 R316I207-Y209 HydrophobicContact CG2-CD1 4.42Å; I207-Y209 HydrophobicContact CG2-CD2 3.99Å; I207-Y209 HydrophobicContact CG2-CE1 4.16Å; I207-Y209 HydrophobicContact CG2-CE2 3.7Å; I207-Y209 HydrophobicContact CG2-CG 4.34Å; Y209-A259 CarbonylContact C-O 3.46Å; Y209-A259 VanDerWaalsContact CA-O 3.23Å; Y209-A259 WeakPolarHBondContact CA-O 3.44Å; Y209-F263 WeakPolarHBondContact CE1-O 3.36Å; Y209-F263 PolarHBondContact OH-O 3.23Å; Y209-V298 HydrophobicContact CD2-CG1 3.94Å; Y209-V298 HydrophobicContact CE2-CG1 4Å; Y209-V299 PolarHBondContact N-O 3.37Å; Y209-H300 AromaticContact CD2-CD2 3.99Å; Y209-H300 AromaticContact CD2-CE1 3.85Å; Y209-H300 AromaticContact CD2-NE2 3.5Å; Y209-H300 WeakPolarHBondContact CD2-NE2 3.46Å; Y209-H300 AromaticContact CG-NE2 4Å; Y209-W301 PolarHBondContact O-N 3.5Å; Y209-E313 HydrophobicContact CD2-CB 4.12Å; Y209-E313 HydrophobicContact CD2-CG 4.46Å; Y209-E313 HydrophobicContact CE2-CB 3.68Å; Y209-E313 HydrophobicContact CE2-CG 4.01Å; Y209-R316 WeakPolarHBondContact OH-CD 3.44Å; Y209-R316 PolarHBondContact OH-NE 2.71Å
210C92.1Very high88.2Confident6 Ų648.1 Ų48.14%0.04123%0.23CC..  trans-117.8153.1175.5-550000110.2T215 A259 T260C210-T215 HydrophobicContact CB-CG2 3.89Å; C210-A259 PolarHBondContact N-O 3.14Å; C210-T260 WeakPolarHBondContact O-CA 3.33Å
211R86.9Confident88.9Confident95 Ų9544.5 Ų44.536%0.35822%0.221SC..SBendtrans-73.5-42.9-179.6-174.9171.8-68.3162.1-1.5113.1N302 V303 E334R211-N302 HydrophobicContact CB-CB 4.39Å; R211-N302 WeakPolarHBondContact CB-OD1 3.46Å; R211-N302 PolarHBondContact N-OD1 2.64Å; R211-V303 PolarHBondContact NH2-O 2.74Å; R211-E334 PolarHBondContact NH1-O 3.11Å
212T89.6Confident89.9Confident54 Ų5440.8 Ų40.833%0.33120%0.204SC..SBendtrans-113.6163.2-173.379.10000112E214 T215 C216T212-E214 WeakPolarHBondContact CB-OE2 3.21Å; T212-E214 PolarHBondContact OG1-OE2 3.02Å; T212-E214 VanDerWaalsContact OG1-OE2 3.13Å; T212-T215 PolarHBondContact OG1-N 3.39Å; T212-T215 PolarHBondContact OG1-OG1 2.95Å; T212-C216 PolarHBondContact O-N 3.01Å; T212-C216 PolarHBondContact O-SG 3.49Å
213R92.6Very high91Very high124 Ų12438.5 Ų38.547%0.46819%0.191SC..Hα-helixtrans-71.8-40.7-178.2-59.6178.2-176.4169.52.7110.4T215 C216 E217 H234R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 3.42Å; R213-C216 WeakPolarHBondContact O-CA 3.49Å; R213-C216 VanDerWaalsContact O-CB 3.32Å; R213-C216 WeakPolarHBondContact O-CB 3.34Å; R213-C216 PolarHBondContact O-N 3.49Å; R213-E217 PolarHBondContact O-N 3.08Å; R213-H234 HydrophobicContact CB-CB 4.49Å; R213-H234 HydrophobicContact CG-CB 3.99Å
214E93.1Very high91.7Very high125 Ų12540.9 Ų40.958%0.58421%0.207SC*.Hα-helixtrans-60.8-41.9179.6-55.773.5-157.800110.2T212 C216 E217 F218T212-E214 WeakPolarHBondContact CB-OE2 3.21Å; T212-E214 PolarHBondContact OG1-OE2 3.02Å; T212-E214 VanDerWaalsContact OG1-OE2 3.13Å; E214-C216 PolarHBondContact O-N 3.43Å; E214-E217 PolarHBondContact O-N 2.65Å; E214-F218 WeakPolarHBondContact O-CB 3.34Å; E214-F218 PolarHBondContact O-N 3.05Å
215T92.4Very high92Very high36 Ų3644.3 Ų44.322%0.22124%0.243CC..Hα-helixtrans-65.8-37.6174.8-56.20000111.9C210 T212 R213 F219C210-T215 HydrophobicContact CB-CG2 3.89Å; T212-T215 PolarHBondContact OG1-N 3.39Å; T212-T215 PolarHBondContact OG1-OG1 2.95Å; R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 3.42Å; T215-F219 HydrophobicContact CG2-CD2 3.66Å; T215-F219 HydrophobicContact CG2-CE2 3.75Å; T215-F219 WeakPolarHBondContact O-CD2 3.4Å; T215-F219 PolarHBondContact O-N 3.35Å
216C93.3Very high91.9Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-62.1-45.5174.9-640000111.9T212 R213 E214 A220 C232 V258 T260T212-C216 PolarHBondContact O-N 3.01Å; T212-C216 PolarHBondContact O-SG 3.49Å; R213-C216 WeakPolarHBondContact O-CA 3.49Å; R213-C216 VanDerWaalsContact O-CB 3.32Å; R213-C216 WeakPolarHBondContact O-CB 3.34Å; R213-C216 PolarHBondContact O-N 3.49Å; E214-C216 PolarHBondContact O-N 3.43Å; C216-A220 VanDerWaalsContact O-CB 3.31Å; C216-A220 WeakPolarHBondContact O-CB 3.48Å; C216-A220 PolarHBondContact O-N 2.97Å; C216-C232 WeakPolarHBondContact CB-SG 3.36Å; C216-V258 HydrophobicContact CB-CG1 4.12Å; C216-T260 PolarHBondContact SG-N 3.17Å
217E94.6Very high91.7Very high108 Ų10851.2 Ų51.251%0.50529%0.289SS..Hα-helixtrans-64.1-45.1179.2-69.1176.2177.700111.2R213 E214 A220 A221 H234R213-E217 PolarHBondContact O-N 3.08Å; E214-E217 PolarHBondContact O-N 2.65Å; E217-A220 PolarHBondContact O-N 2.82Å; E217-A221 PolarHBondContact O-N 3.32Å; E217-H234 IonicContact OE1-CE1 3.71Å; E217-H234 PolarHBondContact OE1-CE1 3.4Å; E217-H234 IonicContact OE1-NE2 2.66Å; E217-H234 PolarHBondContact OE1-NE2 2.89Å
218F94.7Very high91.5Very high102 Ų10251.9 Ų51.945%0.44729%0.293SS..Hα-helixtrans-55.8-53.6174.8170.9-99.5000111.9E188 E214 A220 A221 E222E188-F218 HydrophobicContact CG-CE1 3.93Å; E188-F218 HydrophobicContact CG-CZ 4.27Å; E214-F218 WeakPolarHBondContact O-CB 3.34Å; E214-F218 PolarHBondContact O-N 3.05Å; F218-A220 VanDerWaalsContact C-N 3.33Å; F218-A220 PolarHBondContact O-N 3.11Å; F218-A221 PolarHBondContact O-N 3Å; F218-E222 WeakPolarHBondContact O-CB 3.37Å; F218-E222 PolarHBondContact O-N 2.72Å
219F93Very high91.2Very high1 Ų157.3 Ų57.30%0.00432%0.318CS..Hα-helixtrans-66.3-34.9-179.2-89.6-68.4000113E188 L191 T215 A221 E222 L223 V258 W301E188-F219 HydrophobicContact CB-CE1 4.13Å; E188-F219 HydrophobicContact CB-CZ 4.48Å; E188-F219 HydrophobicContact CG-CE1 3.98Å; E188-F219 HydrophobicContact CG-CZ 3.87Å; L191-F219 HydrophobicContact CD2-CD1 4.01Å; L191-F219 HydrophobicContact CD2-CE1 3.71Å; L191-F219 HydrophobicContact CD2-CZ 4.32Å; T215-F219 HydrophobicContact CG2-CD2 3.66Å; T215-F219 HydrophobicContact CG2-CE2 3.75Å; T215-F219 WeakPolarHBondContact O-CD2 3.4Å; T215-F219 PolarHBondContact O-N 3.35Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.83Å; F219-E222 PolarHBondContact O-N 2.78Å; F219-L223 HydrophobicContact CB-CD1 4.49Å; F219-L223 HydrophobicContact CD1-CD1 4.44Å; F219-L223 HydrophobicContact CD1-CG 4.44Å; F219-L223 VanDerWaalsContact O-CB 3.24Å; F219-L223 WeakPolarHBondContact O-CB 3.27Å; F219-L223 WeakPolarHBondContact O-CG 3.24Å; F219-L223 PolarHBondContact O-N 2.76Å; F219-V258 HydrophobicContact CB-CG1 3.74Å; F219-V258 HydrophobicContact CB-CG2 4.25Å; F219-W301 HydrophobicContact CD2-CG 4.46Å; F219-W301 HydrophobicContact CE1-CH2 4.3Å; F219-W301 HydrophobicContact CE1-CZ2 4.36Å; F219-W301 HydrophobicContact CE1-CZ3 4.44Å; F219-W301 AromaticContact CE2-CD1 3.56Å; F219-W301 AromaticContact CE2-CD2 3.62Å; F219-W301 HydrophobicContact CE2-CD2 3.62Å; F219-W301 AromaticContact CE2-CE2 3.37Å; F219-W301 HydrophobicContact CE2-CE3 4.39Å; F219-W301 AromaticContact CE2-CG 3.74Å; F219-W301 HydrophobicContact CE2-CG 3.74Å; F219-W301 AromaticContact CE2-CZ2 3.92Å; F219-W301 HydrophobicContact CE2-CZ2 3.92Å; F219-W301 AromaticContact CE2-NE1 3.32Å; F219-W301 VanDerWaalsContact CE2-NE1 3.32Å; F219-W301 AromaticContact CZ-CD2 3.58Å; F219-W301 HydrophobicContact CZ-CD2 3.58Å; F219-W301 AromaticContact CZ-CE2 3.25Å; F219-W301 AromaticContact CZ-CE3 3.97Å; F219-W301 HydrophobicContact CZ-CE3 3.97Å; F219-W301 HydrophobicContact CZ-CG 4.21Å; F219-W301 AromaticContact CZ-CH2 3.66Å; F219-W301 HydrophobicContact CZ-CH2 3.66Å; F219-W301 AromaticContact CZ-CZ2 3.32Å; F219-W301 HydrophobicContact CZ-CZ2 3.32Å; F219-W301 AromaticContact CZ-CZ3 4Å; F219-W301 HydrophobicContact CZ-CZ3 4Å; F219-W301 AromaticContact CZ-NE1 3.72Å
220A93Very high91.2Very high11 Ų1157.6 Ų57.69%0.09132%0.322CS..Hα-helixtrans-63.6-39.1175.100000111.5C216 E217 F218 S224 C230 C232 V258C216-A220 VanDerWaalsContact O-CB 3.31Å; C216-A220 WeakPolarHBondContact O-CB 3.48Å; C216-A220 PolarHBondContact O-N 2.97Å; E217-A220 PolarHBondContact O-N 2.82Å; F218-A220 VanDerWaalsContact C-N 3.33Å; F218-A220 PolarHBondContact O-N 3.11Å; A220-S224 VanDerWaalsContact O-CB 3.23Å; A220-S224 WeakPolarHBondContact O-CB 3.3Å; A220-S224 PolarHBondContact O-N 3.24Å; A220-S224 PolarHBondContact O-OG 3.36Å; A220-C230 PolarHBondContact O-SG 2.85Å; A220-C232 HydrophobicContact CB-CB 3.79Å; A220-V258 HydrophobicContact CB-CG2 4.38Å
221A93.3Very high91.2Very high70 Ų7058 Ų5858%0.57933%0.325SS*.Hα-helixtrans-69.4-48.8174.900000111.7E217 F218 F219 L223 S224 G225E217-A221 PolarHBondContact O-N 3.32Å; F218-A221 PolarHBondContact O-N 3Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.83Å; A221-L223 PolarHBondContact O-N 2.81Å; A221-S224 PolarHBondContact O-N 2.86Å; A221-G225 PolarHBondContact O-N 3.38Å
222E92.1Very high91.5Very high59 Ų5954.4 Ų54.428%0.27632%0.315SS..Hα-helixtrans-62-45.1-176.5-177.863.1-164.700112.4F218 F219 G225 R226F218-E222 WeakPolarHBondContact O-CB 3.37Å; F218-E222 PolarHBondContact O-N 2.72Å; F219-E222 PolarHBondContact O-N 2.78Å; E222-G225 PolarHBondContact O-N 3.4Å; E222-R226 WeakPolarHBondContact O-CG 3.35Å; E222-R226 PolarHBondContact O-N 3.45Å; E222-R226 IonicContact OE1-CZ 2.8Å; E222-R226 IonicContact OE1-NE 3.04Å; E222-R226 PolarHBondContact OE1-NE 2.84Å; E222-R226 IonicContact OE1-NH2 3.94Å; E222-R226 PolarHBondContact OE1-NH2 2.92Å
223L91.5Very high91.6Very high1 Ų152.9 Ų52.91%0.00530%0.303CS..Hα-helixtrans-72-36179.6-64.2172.9000111.7A192 L195 I208 F219 A221 R226 G227 I228 C230 V258A192-L223 HydrophobicContact CB-CD2 3.67Å; L195-L223 HydrophobicContact CD1-CD1 3.91Å; L195-L223 HydrophobicContact CD1-CD2 4.06Å; I208-L223 HydrophobicContact CD1-CD1 3.34Å; F219-L223 HydrophobicContact CB-CD1 4.49Å; F219-L223 HydrophobicContact CD1-CD1 4.44Å; F219-L223 HydrophobicContact CD1-CG 4.44Å; F219-L223 VanDerWaalsContact O-CB 3.24Å; F219-L223 WeakPolarHBondContact O-CB 3.27Å; F219-L223 WeakPolarHBondContact O-CG 3.24Å; F219-L223 PolarHBondContact O-N 2.76Å; A221-L223 PolarHBondContact O-N 2.81Å; L223-R226 CarbonylContact O-C 3.56Å; L223-R226 PolarHBondContact O-N 2.65Å; L223-R226 VanDerWaalsContact O-N 3.17Å; L223-G227 PolarHBondContact O-N 2.96Å; L223-I228 HydrophobicContact CB-CB 4.33Å; L223-I228 HydrophobicContact CB-CD1 4.49Å; L223-I228 HydrophobicContact CD2-CD1 4.02Å; L223-I228 WeakPolarHBondContact O-CB 3.43Å; L223-I228 PolarHBondContact O-N 2.64Å; L223-C230 HydrophobicContact CB-CB 4.46Å; L223-C230 VanDerWaalsContact CB-SG 3.59Å; L223-V258 HydrophobicContact CD1-CG2 4.22Å
224S91.2Very high91.5Very high57 Ų5747.2 Ų47.240%0.39928%0.282SS..Hα-helixtrans-62.4-44.5173.1-63.50000111.3A220 A221 R226 G227 I228 C230A220-S224 VanDerWaalsContact O-CB 3.23Å; A220-S224 WeakPolarHBondContact O-CB 3.3Å; A220-S224 PolarHBondContact O-N 3.24Å; A220-S224 PolarHBondContact O-OG 3.36Å; A221-S224 PolarHBondContact O-N 2.86Å; S224-R226 PolarHBondContact O-N 3.17Å; S224-G227 PolarHBondContact O-N 2.96Å; S224-I228 WeakPolarHBondContact CA-O 3.1Å; S224-C230 PolarHBondContact N-SG 2.87Å; S224-C230 VanDerWaalsContact N-SG 3.37Å; S224-C230 PolarHBondContact OG-SG 3.12Å
225G89.3Confident91.1Very high73 Ų7344 Ų4475%0.75328%0.276SS*.Hα-helixtrans-60.5-25175.500000113.3A221 E222 G227A221-G225 PolarHBondContact O-N 3.38Å; E222-G225 PolarHBondContact O-N 3.4Å; G225-G227 VanDerWaalsContact C-N 3.33Å
226R87.5Confident90.9Very high77 Ų7744.3 Ų44.329%0.29129%0.287SS..THydrogen-bonded Turntrans-907.2175-65.8169.5-178.1-93.81.3113.4K196 E222 L223 S224K196-R226 WeakPolarHBondContact CE-O 3.27Å; K196-R226 PolarHBondContact NZ-O 2.83Å; E222-R226 WeakPolarHBondContact O-CG 3.35Å; E222-R226 PolarHBondContact O-N 3.45Å; E222-R226 IonicContact OE1-CZ 2.8Å; E222-R226 IonicContact OE1-NE 3.04Å; E222-R226 PolarHBondContact OE1-NE 2.84Å; E222-R226 IonicContact OE1-NH2 3.94Å; E222-R226 PolarHBondContact OE1-NH2 2.92Å; L223-R226 CarbonylContact O-C 3.56Å; L223-R226 PolarHBondContact O-N 2.65Å; L223-R226 VanDerWaalsContact O-N 3.17Å; S224-R226 PolarHBondContact O-N 3.17Å
227G86.6Confident90.7Very high67 Ų6745.8 Ų45.869%0.69130%0.295SS*.THydrogen-bonded Turntrans83.613.2176.500000115.1L223 S224 G225L223-G227 PolarHBondContact O-N 2.96Å; S224-G227 PolarHBondContact O-N 2.96Å; G225-G227 VanDerWaalsContact C-N 3.33Å
228I86.8Confident90.4Very high15 Ų1545.2 Ų45.28%0.07730%0.3CS..  trans-90.1123.5174-55.8177.8000108.1L195 K196 L223 S224 C230 V256L195-I228 HydrophobicContact CB-CD1 4.12Å; K196-I228 HydrophobicContact CG-CD1 3.92Å; K196-I228 HydrophobicContact CG-CG1 4.09Å; L223-I228 HydrophobicContact CB-CB 4.33Å; L223-I228 HydrophobicContact CB-CD1 4.49Å; L223-I228 HydrophobicContact CD2-CD1 4.02Å; L223-I228 WeakPolarHBondContact O-CB 3.43Å; L223-I228 PolarHBondContact O-N 2.64Å; S224-I228 WeakPolarHBondContact CA-O 3.1Å; I228-C230 PolarHBondContact O-N 3.4Å; I228-V256 HydrophobicContact CG2-CB 4.35Å; I228-V256 HydrophobicContact CG2-CG2 3.83Å
229Q89.8Confident89.8Confident114 Ų11444.3 Ų44.353%0.53330%0.3SS..  trans-66.497.8174.4-69.5173.1-22.900110T253 R255 V256Q229-T253 PolarHBondContact OE1-O 3.21Å; Q229-R255 HydrophobicContact CB-CB 4.35Å; Q229-R255 HydrophobicContact CB-CG 4.12Å; Q229-R255 PolarHBondContact O-N 3.06Å; Q229-V256 PolarHBondContact O-N 2.88Å
230C91.1Very high89.4Confident15 Ų1552.8 Ų52.810%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-131.4155.6-178.366.40000113.8A220 L223 S224 I228 V256A220-C230 PolarHBondContact O-SG 2.85Å; L223-C230 HydrophobicContact CB-CB 4.46Å; L223-C230 VanDerWaalsContact CB-SG 3.59Å; S224-C230 PolarHBondContact N-SG 2.87Å; S224-C230 VanDerWaalsContact N-SG 3.37Å; S224-C230 PolarHBondContact OG-SG 3.12Å; I228-C230 PolarHBondContact O-N 3.4Å; C230-V256 CarbonylContact C-O 3.5Å; C230-V256 WeakPolarHBondContact CA-O 3.45Å; C230-V256 HydrophobicContact CB-CB 3.96Å; C230-V256 HydrophobicContact CB-CG1 4.46Å; C230-V256 WeakPolarHBondContact CB-O 3.43Å
231A92.7Very high89.2Confident14 Ų1454.1 Ų54.112%0.11635%0.348CS..EExtended strand (participates in β ladder)trans-138.3150.9176.300000111.5V245 V254 V256 V257 V258A231-V245 HydrophobicContact CB-CG1 3.77Å; A231-V245 HydrophobicContact CB-CG2 4.17Å; A231-V254 HydrophobicContact CB-CG1 3.82Å; A231-V254 HydrophobicContact CB-CG2 3.97Å; A231-V256 PolarHBondContact N-O 2.96Å; A231-V257 WeakPolarHBondContact O-CA 3.5Å; A231-V258 PolarHBondContact O-N 3.36Å
232C94Very high88.8Confident20 Ų2053.5 Ų53.514%0.13533%0.33CS..EExtended strand (participates in β ladder)trans-86.5143.3177.1-172.10000111.5C216 A220 H234 I237 V258C216-C232 WeakPolarHBondContact CB-SG 3.36Å; A220-C232 HydrophobicContact CB-CB 3.79Å; C232-H234 PolarHBondContact SG-CD2 3.37Å; C232-I237 HydrophobicContact CB-CD1 4.32Å; C232-I237 VanDerWaalsContact O-CD1 3.31Å; C232-I237 WeakPolarHBondContact O-CD1 3.11Å; C232-V258 CarbonylContact C-O 3.57Å; C232-V258 WeakPolarHBondContact CA-O 3.42Å
233Y91Very high88.3Confident21 Ų2156.5 Ų56.58%0.08234%0.344CS..EExtended strand (participates in β ladder)trans-140.9114.6173.3-169.2-71.8000112.2R242 V245 V258 A259 T260 A262 F263Y233-R242 HydrophobicContact CD2-CB 4.26Å; Y233-R242 HydrophobicContact CD2-CG 4.34Å; Y233-R242 HydrophobicContact CE2-CB 3.58Å; Y233-R242 HydrophobicContact CE2-CG 3.97Å; Y233-V245 HydrophobicContact CD2-CB 4.49Å; Y233-V245 HydrophobicContact CD2-CG1 4.23Å; Y233-V258 PolarHBondContact N-O 2.95Å; Y233-A259 WeakPolarHBondContact O-CA 3.22Å; Y233-A259 WeakPolarHBondContact O-CB 3.34Å; Y233-T260 PolarHBondContact O-N 2.97Å; Y233-A262 HydrophobicContact CE1-CB 4.31Å; Y233-F263 HydrophobicContact CD1-CB 3.6Å; Y233-F263 AromaticContact CD1-CD2 3.77Å; Y233-F263 HydrophobicContact CD1-CD2 3.77Å; Y233-F263 HydrophobicContact CD1-CG 4.14Å; Y233-F263 AromaticContact CD2-CD2 3.57Å; Y233-F263 HydrophobicContact CD2-CD2 3.57Å; Y233-F263 HydrophobicContact CD2-CE2 4.03Å; Y233-F263 HydrophobicContact CE1-CB 4Å; Y233-F263 AromaticContact CE1-CD2 3.95Å; Y233-F263 HydrophobicContact CE1-CD2 3.95Å; Y233-F263 AromaticContact CE2-CD2 3.73Å; Y233-F263 HydrophobicContact CE2-CD2 3.73Å; Y233-F263 HydrophobicContact CE2-CE2 4.18Å; Y233-F263 HydrophobicContact CG-CB 4.09Å; Y233-F263 AromaticContact CG-CD2 3.59Å; Y233-F263 HydrophobicContact CG-CD2 3.59Å; Y233-F263 HydrophobicContact CG-CE2 4.4Å; Y233-F263 HydrophobicContact CG-CG 4.19Å; Y233-F263 AromaticContact CZ-CD2 3.93Å
234H90.6Very high88.2Confident5 Ų559 Ų592%0.02336%0.362CS..  trans-152.1168.7169.652.874.5000111.8R213 E217 C232 G236 I237 R242 T260R213-H234 HydrophobicContact CB-CB 4.49Å; R213-H234 HydrophobicContact CG-CB 3.99Å; E217-H234 IonicContact OE1-CE1 3.71Å; E217-H234 PolarHBondContact OE1-CE1 3.4Å; E217-H234 IonicContact OE1-NE2 2.66Å; E217-H234 PolarHBondContact OE1-NE2 2.89Å; C232-H234 PolarHBondContact SG-CD2 3.37Å; H234-G236 WeakPolarHBondContact ND1-CA 3.42Å; H234-G236 PolarHBondContact ND1-N 3.18Å; H234-G236 PolarHBondContact O-N 2.84Å; H234-G236 VanDerWaalsContact O-N 3.11Å; H234-I237 WeakPolarHBondContact CE1-CG1 3.11Å; H234-I237 PolarHBondContact O-N 3.47Å; H234-R242 WeakPolarHBondContact O-CD 3.41Å; H234-T260 HydrophobicContact CB-CG2 4.01Å
235A85Confident88Confident57 Ų5757.2 Ų57.247%0.47135%0.349SS..THydrogen-bonded Turntrans-60.1-22.4-177.900000114.6I237A235-I237 VanDerWaalsContact C-N 3.3Å; A235-I237 PolarHBondContact O-N 3.31Å
236G88.3Confident87.6Confident43 Ų4356.1 Ų56.144%0.44332%0.324SS..THydrogen-bonded Turntrans-71-18173.700000115.1H234H234-G236 WeakPolarHBondContact ND1-CA 3.42Å; H234-G236 PolarHBondContact ND1-N 3.18Å; H234-G236 PolarHBondContact O-N 2.84Å; H234-G236 VanDerWaalsContact O-N 3.11Å
237I88.1Confident87.4Confident32 Ų3257.8 Ų57.816%0.16434%0.335CS..SBendtrans-80136.6179.4-54.7-177000109.3C232 H234 A235 A241 R242C232-I237 HydrophobicContact CB-CD1 4.32Å; C232-I237 VanDerWaalsContact O-CD1 3.31Å; C232-I237 WeakPolarHBondContact O-CD1 3.11Å; H234-I237 WeakPolarHBondContact CE1-CG1 3.11Å; H234-I237 PolarHBondContact O-N 3.47Å; A235-I237 VanDerWaalsContact C-N 3.3Å; A235-I237 PolarHBondContact O-N 3.31Å; I237-A241 HydrophobicContact CG2-CB 3.53Å; I237-R242 HydrophobicContact CB-CG 3.84Å; I237-R242 HydrophobicContact CG2-CG 4Å; I237-R242 PolarHBondContact O-NE 3.04Å
238P89.8Confident87.4Confident95 Ų9557.9 Ų57.962%0.61732%0.318SS*.  trans-53.6143.3176.2-26.433.7000112.9K240 A241 R242P238-K240 VanDerWaalsContact C-N 3.29Å; P238-K240 PolarHBondContact O-N 2.96Å; P238-A241 WeakPolarHBondContact O-CA 3.17Å; P238-A241 WeakPolarHBondContact O-CB 3.26Å; P238-A241 PolarHBondContact O-N 3.31Å; P238-R242 PolarHBondContact O-N 3.06Å
239N80.8Confident87.3Confident84 Ų8457.2 Ų57.245%0.44931%0.314SS..Hα-helixtrans-51.1-44.7-176.6-72.7-7.8000113.6A241 R242 E243N239-A241 VanDerWaalsContact C-N 3.29Å; N239-A241 PolarHBondContact O-N 2.68Å; N239-R242 WeakPolarHBondContact O-CB 3.01Å; N239-R242 PolarHBondContact O-N 2.8Å; N239-R242 VanDerWaalsContact O-N 3.16Å; N239-R242 PolarHBondContact OD1-NH2 3.1Å; N239-E243 WeakPolarHBondContact O-CG 3.4Å; N239-E243 PolarHBondContact O-N 2.99Å
240K85.7Confident86.7Confident178 Ų17854.5 Ų54.577%0.77430%0.302SS*.Hα-helixtrans-60.9-38.2179.2-171.1177.4-178.9-178.80112.3P238 S244P238-K240 VanDerWaalsContact C-N 3.29Å; P238-K240 PolarHBondContact O-N 2.96Å; K240-S244 WeakPolarHBondContact O-CB 3.42Å; K240-S244 PolarHBondContact O-N 3.01Å
241A88.6Confident86.1Confident39 Ų3958.1 Ų58.132%0.32232%0.32SS..Hα-helixtrans-72.9-38.6175.900000111.5I237 P238 N239 E243 S244 V245I237-A241 HydrophobicContact CG2-CB 3.53Å; P238-A241 WeakPolarHBondContact O-CA 3.17Å; P238-A241 WeakPolarHBondContact O-CB 3.26Å; P238-A241 PolarHBondContact O-N 3.31Å; N239-A241 VanDerWaalsContact C-N 3.29Å; N239-A241 PolarHBondContact O-N 2.68Å; A241-E243 PolarHBondContact O-N 3.37Å; A241-S244 WeakPolarHBondContact O-CB 3.15Å; A241-S244 PolarHBondContact O-N 3.35Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 3.2Å
242R84.6Confident85.5Confident57 Ų5758.7 Ų58.722%0.21532%0.322CS..Hα-helixtrans-59.4-44.4172.4-70.1-164.1-70.9157.3-12.3112.6Y233 H234 I237 P238 N239 V245 Q246Y233-R242 HydrophobicContact CD2-CB 4.26Å; Y233-R242 HydrophobicContact CD2-CG 4.34Å; Y233-R242 HydrophobicContact CE2-CB 3.58Å; Y233-R242 HydrophobicContact CE2-CG 3.97Å; H234-R242 WeakPolarHBondContact O-CD 3.41Å; I237-R242 HydrophobicContact CB-CG 3.84Å; I237-R242 HydrophobicContact CG2-CG 4Å; I237-R242 PolarHBondContact O-NE 3.04Å; P238-R242 PolarHBondContact O-N 3.06Å; N239-R242 WeakPolarHBondContact O-CB 3.01Å; N239-R242 PolarHBondContact O-N 2.8Å; N239-R242 VanDerWaalsContact O-N 3.16Å; N239-R242 PolarHBondContact OD1-NH2 3.1Å; R242-V245 PolarHBondContact O-N 2.95Å; R242-Q246 WeakPolarHBondContact O-CB 3.13Å; R242-Q246 PolarHBondContact O-N 2.98Å
243E81.3Confident85.1Confident122 Ų12261.4 Ų61.457%0.5734%0.338SS*.Hα-helixtrans-61.8-43.5174.8-73.7170.9-170.100111.3N239 A241 Q246 Q247N239-E243 WeakPolarHBondContact O-CG 3.4Å; N239-E243 PolarHBondContact O-N 2.99Å; A241-E243 PolarHBondContact O-N 3.37Å; E243-Q246 PolarHBondContact O-N 2.66Å; E243-Q247 WeakPolarHBondContact O-CG 3.28Å; E243-Q247 PolarHBondContact O-N 3.44Å
244S88.4Confident84.9Confident54 Ų5460.9 Ų60.938%0.37834%0.336SS..Hα-helixtrans-60.3-48.6176-1750000112.1K240 A241 Q246 Q247 Q248K240-S244 WeakPolarHBondContact O-CB 3.42Å; K240-S244 PolarHBondContact O-N 3.01Å; A241-S244 WeakPolarHBondContact O-CB 3.15Å; A241-S244 PolarHBondContact O-N 3.35Å; S244-Q246 VanDerWaalsContact C-N 3.31Å; S244-Q246 PolarHBondContact O-N 3.45Å; S244-Q247 PolarHBondContact O-N 3.08Å; S244-Q248 WeakPolarHBondContact O-CB 3.43Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.35Å; S244-Q248 PolarHBondContact O-N 3.06Å; S244-Q248 PolarHBondContact OG-NE2 2.96Å
245V88.3Confident84.8Confident19 Ų1963.9 Ų63.912%0.11535%0.347CS..Hα-helixtrans-59.4-43.6176.3169.70000111A231 Y233 A241 R242 Q247 Q248 W249 V257A231-V245 HydrophobicContact CB-CG1 3.77Å; A231-V245 HydrophobicContact CB-CG2 4.17Å; Y233-V245 HydrophobicContact CD2-CB 4.49Å; Y233-V245 HydrophobicContact CD2-CG1 4.23Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 3.2Å; R242-V245 PolarHBondContact O-N 2.95Å; V245-Q247 PolarHBondContact O-N 2.83Å; V245-Q248 PolarHBondContact O-N 3.4Å; V245-W249 WeakPolarHBondContact O-CB 3.43Å; V245-W249 PolarHBondContact O-N 3.43Å; V245-V257 HydrophobicContact CG1-CG2 4.26Å
246Q81.1Confident85.2Confident50 Ų5061.1 Ų61.123%0.23433%0.325CS..Hα-helixtrans-61.7-43.6176.9-173.9177.3-5.300111.5R242 E243 S244 W249 M250R242-Q246 WeakPolarHBondContact O-CB 3.13Å; R242-Q246 PolarHBondContact O-N 2.98Å; E243-Q246 PolarHBondContact O-N 2.66Å; S244-Q246 VanDerWaalsContact C-N 3.31Å; S244-Q246 PolarHBondContact O-N 3.45Å; Q246-W249 PolarHBondContact O-N 3.46Å; Q246-M250 HydrophobicContact CG-CG 4.45Å; Q246-M250 WeakPolarHBondContact O-CB 3.31Å; Q246-M250 WeakPolarHBondContact O-CG 3.16Å; Q246-M250 PolarHBondContact O-N 2.74Å
247Q81.7Confident85.3Confident113 Ų11359.1 Ų59.153%0.52830%0.304SS..Hα-helixtrans-65.1-43.8176.5-70.1-57.7-35.200112.4E243 S244 V245 W249 M250 N251E243-Q247 WeakPolarHBondContact O-CG 3.28Å; E243-Q247 PolarHBondContact O-N 3.44Å; S244-Q247 PolarHBondContact O-N 3.08Å; V245-Q247 PolarHBondContact O-N 2.83Å; Q247-W249 VanDerWaalsContact C-N 3.27Å; Q247-W249 PolarHBondContact O-N 2.92Å; Q247-M250 PolarHBondContact O-N 2.84Å; Q247-N251 PolarHBondContact O-N 2.67Å; Q247-N251 PolarHBondContact O-OD1 3.07Å
248Q87.4Confident85.6Confident69 Ų6957.6 Ų57.632%0.32230%0.296SS..Hα-helixtrans-63.6-32.6176.2-72.3177.143.600112.7S244 V245 N251 N252 T253 V254S244-Q248 WeakPolarHBondContact O-CB 3.43Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.35Å; S244-Q248 PolarHBondContact O-N 3.06Å; S244-Q248 PolarHBondContact OG-NE2 2.96Å; V245-Q248 PolarHBondContact O-N 3.4Å; Q248-N251 WeakPolarHBondContact CA-OD1 3.36Å; Q248-N251 PolarHBondContact O-OD1 3.04Å; Q248-N252 PolarHBondContact O-N 3.02Å; Q248-T253 PolarHBondContact O-N 3.01Å; Q248-V254 HydrophobicContact CB-CB 4.32Å; Q248-V254 HydrophobicContact CB-CG2 3.87Å; Q248-V254 PolarHBondContact O-N 2.9Å
249W84.5Confident85.7Confident1 Ų153 Ų530%0.00427%0.267CS..Hα-helixtrans-74.5-43.8172.5-17771000110.5G206 I207 V245 Q246 Q247 N251 N252 V257 F263 V267 K269 L295G206-W249 PolarHBondContact O-NE1 2.84Å; I207-W249 HydrophobicContact CD1-CH2 3.92Å; I207-W249 HydrophobicContact CD1-CZ2 3.88Å; I207-W249 HydrophobicContact CG1-CH2 4.26Å; I207-W249 HydrophobicContact CG1-CZ2 3.7Å; V245-W249 WeakPolarHBondContact O-CB 3.43Å; V245-W249 PolarHBondContact O-N 3.43Å; Q246-W249 PolarHBondContact O-N 3.46Å; Q247-W249 VanDerWaalsContact C-N 3.27Å; Q247-W249 PolarHBondContact O-N 2.92Å; W249-N251 VanDerWaalsContact C-N 3.31Å; W249-N251 PolarHBondContact O-N 3.47Å; W249-N252 PolarHBondContact O-N 3.2Å; W249-N252 VanDerWaalsContact O-N 3.12Å; W249-V257 HydrophobicContact CB-CG2 3.61Å; W249-V257 VanDerWaalsContact CD1-CG2 3.41Å; W249-V257 HydrophobicContact CD2-CG2 4.11Å; W249-V257 HydrophobicContact CG-CG2 3.43Å; W249-V257 VanDerWaalsContact CG-CG2 3.43Å; W249-F263 HydrophobicContact CD2-CZ 4.14Å; W249-F263 HydrophobicContact CE3-CE1 4.38Å; W249-F263 AromaticContact CE3-CZ 3.76Å; W249-F263 HydrophobicContact CE3-CZ 3.76Å; W249-F263 HydrophobicContact CH2-CE1 4.29Å; W249-F263 HydrophobicContact CH2-CZ 4.44Å; W249-F263 HydrophobicContact CZ3-CE1 4.23Å; W249-F263 AromaticContact CZ3-CZ 3.93Å; W249-F263 HydrophobicContact CZ3-CZ 3.93Å; W249-V267 HydrophobicContact CE3-CG1 4.29Å; W249-V267 HydrophobicContact CH2-CG1 3.77Å; W249-V267 HydrophobicContact CZ3-CG1 3.29Å; W249-K269 HydrophobicContact CD2-CD 4.19Å; W249-K269 HydrophobicContact CE3-CD 3.92Å; W249-K269 HydrophobicContact CH2-CB 3.93Å; W249-K269 HydrophobicContact CH2-CD 3.44Å; W249-K269 VanDerWaalsContact CH2-CD 3.44Å; W249-K269 HydrophobicContact CH2-CG 4.35Å; W249-K269 HydrophobicContact CZ2-CD 3.71Å; W249-K269 HydrophobicContact CZ3-CB 3.8Å; W249-K269 HydrophobicContact CZ3-CD 3.53Å; W249-K269 HydrophobicContact CZ3-CG 4.2Å; W249-K269 PolarHBondContact O-NZ 3.29Å; W249-L295 HydrophobicContact CZ2-CD1 4.11Å
250M77.7Confident86.1Confident57 Ų5749.9 Ų49.928%0.28125%0.251SS..Hα-helixtrans-57.9-41178.6-73.3-70-95.200112.4Q246 Q247 N252 D268 K269Q246-M250 HydrophobicContact CG-CG 4.45Å; Q246-M250 WeakPolarHBondContact O-CB 3.31Å; Q246-M250 WeakPolarHBondContact O-CG 3.16Å; Q246-M250 PolarHBondContact O-N 2.74Å; Q247-M250 PolarHBondContact O-N 2.84Å; M250-N252 VanDerWaalsContact C-N 3.35Å; M250-D268 VanDerWaalsContact CE-O 3.25Å; M250-D268 WeakPolarHBondContact CE-O 3.34Å; M250-K269 VanDerWaalsContact CA-NZ 3.34Å; M250-K269 PolarHBondContact O-NZ 2.78Å; M250-K269 VanDerWaalsContact O-NZ 3.09Å; M250-K269 HydrophobicContact SD-CB 3.89Å; M250-K269 HydrophobicContact SD-CG 3.87Å
251N79.2Confident85.8Confident90 Ų9045.5 Ų45.548%0.48124%0.239SC..THydrogen-bonded Turntrans-86.95.2178.874.80.3000114.5Q247 Q248 W249 T253Q247-N251 PolarHBondContact O-N 2.67Å; Q247-N251 PolarHBondContact O-OD1 3.07Å; Q248-N251 WeakPolarHBondContact CA-OD1 3.36Å; Q248-N251 PolarHBondContact O-OD1 3.04Å; W249-N251 VanDerWaalsContact C-N 3.31Å; W249-N251 PolarHBondContact O-N 3.47Å; N251-T253 VanDerWaalsContact C-N 3.27Å; N251-T253 PolarHBondContact ND2-OG1 3.38Å; N251-T253 PolarHBondContact O-N 3.14Å; N251-T253 VanDerWaalsContact OD1-CB 3.31Å; N251-T253 WeakPolarHBondContact OD1-CB 3.39Å; N251-T253 PolarHBondContact OD1-N 2.92Å; N251-T253 PolarHBondContact OD1-OG1 3.44Å
252N79.7Confident85.2Confident27 Ų2745.6 Ų45.614%0.14424%0.239CC..THydrogen-bonded Turntrans63.913.6-177-89-8.4000117.1S205 Q248 W249 M250 V254 I293S205-N252 PolarHBondContact OG-OD1 3.32Å; Q248-N252 PolarHBondContact O-N 3.02Å; W249-N252 PolarHBondContact O-N 3.2Å; W249-N252 VanDerWaalsContact O-N 3.12Å; M250-N252 VanDerWaalsContact C-N 3.35Å; N252-V254 PolarHBondContact O-N 3.22Å; N252-I293 HydrophobicContact CB-CD1 3.96Å; N252-I293 HydrophobicContact CB-CG2 4.31Å; N252-I293 WeakPolarHBondContact ND2-CB 3.08Å; N252-I293 WeakPolarHBondContact ND2-CD1 3.45Å; N252-I293 WeakPolarHBondContact ND2-CG1 3.43Å; N252-I293 VanDerWaalsContact ND2-CG2 3.29Å; N252-I293 WeakPolarHBondContact ND2-CG2 3.45Å; N252-I293 WeakPolarHBondContact OD1-CG2 3.49Å
253T85.7Confident84.6Confident77 Ų7743 Ų4347%0.47223%0.229SC..SBendtrans-60.9-37.3165.8-56.80000110.8Q229 Q248 N251Q229-T253 PolarHBondContact OE1-O 3.21Å; Q248-T253 PolarHBondContact O-N 3.01Å; N251-T253 VanDerWaalsContact C-N 3.27Å; N251-T253 PolarHBondContact ND2-OG1 3.38Å; N251-T253 PolarHBondContact O-N 3.14Å; N251-T253 VanDerWaalsContact OD1-CB 3.31Å; N251-T253 WeakPolarHBondContact OD1-CB 3.39Å; N251-T253 PolarHBondContact OD1-N 2.92Å; N251-T253 PolarHBondContact OD1-OG1 3.44Å
254V87.4Confident83.7Confident9 Ų937.2 Ų37.26%0.05520%0.203CC..SBendtrans-107.9124.9170.3171.20000108.5A231 Q248 N252 V256 V257A231-V254 HydrophobicContact CB-CG1 3.82Å; A231-V254 HydrophobicContact CB-CG2 3.97Å; Q248-V254 HydrophobicContact CB-CB 4.32Å; Q248-V254 HydrophobicContact CB-CG2 3.87Å; Q248-V254 PolarHBondContact O-N 2.9Å; N252-V254 PolarHBondContact O-N 3.22Å; V254-V256 WeakPolarHBondContact CG1-O 3.36Å; V254-V257 HydrophobicContact CG1-CG2 4.26Å
255R88.4Confident82.1Confident68 Ų6837.4 Ų37.426%0.25720%0.199SC..SBendtrans-86.4-34.7-179.8-63.4-66.6-67.5-123.6-13112G203 G204 S205 G206 Q229G203-R255 VanDerWaalsContact C-NH2 3.33Å; G204-R255 VanDerWaalsContact N-NH2 3.14Å; G204-R255 PolarHBondContact O-NE 3.19Å; G204-R255 PolarHBondContact O-NH2 3.05Å; S205-R255 CarbonylContact C-O 3.41Å; S205-R255 WeakPolarHBondContact CA-O 3.49Å; S205-R255 VanDerWaalsContact CB-O 3.26Å; S205-R255 WeakPolarHBondContact CB-O 3.46Å; G206-R255 PolarHBondContact N-O 3.47Å; Q229-R255 HydrophobicContact CB-CB 4.35Å; Q229-R255 HydrophobicContact CB-CG 4.12Å; Q229-R255 PolarHBondContact O-N 3.06Å
256V91.4Very high80.2Confident0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-126128.9-176.6-179.50000110.8L199 G206 I208 I228 Q229 C230 A231 V254L199-V256 HydrophobicContact CD1-CG2 3.48Å; L199-V256 VanDerWaalsContact CD1-CG2 3.48Å; G206-V256 WeakPolarHBondContact O-CA 3.46Å; I208-V256 HydrophobicContact CD1-CG1 3.79Å; I208-V256 HydrophobicContact CG1-CG1 3.82Å; I228-V256 HydrophobicContact CG2-CB 4.35Å; I228-V256 HydrophobicContact CG2-CG2 3.83Å; Q229-V256 PolarHBondContact O-N 2.88Å; C230-V256 CarbonylContact C-O 3.5Å; C230-V256 WeakPolarHBondContact CA-O 3.45Å; C230-V256 HydrophobicContact CB-CB 3.96Å; C230-V256 HydrophobicContact CB-CG1 4.46Å; C230-V256 WeakPolarHBondContact CB-O 3.43Å; A231-V256 PolarHBondContact N-O 2.96Å; V254-V256 WeakPolarHBondContact CG1-O 3.36Å
257V91.9Very high78.9Confident0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-103.7124.71701680000108.9G206 I207 I208 A231 V245 W249 V254 A259 F263G206-V257 PolarHBondContact O-N 3.16Å; I207-V257 CarbonylContact C-O 3.5Å; I207-V257 WeakPolarHBondContact CA-O 3.48Å; I208-V257 PolarHBondContact N-O 3.37Å; A231-V257 WeakPolarHBondContact O-CA 3.5Å; V245-V257 HydrophobicContact CG1-CG2 4.26Å; W249-V257 HydrophobicContact CB-CG2 3.61Å; W249-V257 VanDerWaalsContact CD1-CG2 3.41Å; W249-V257 HydrophobicContact CD2-CG2 4.11Å; W249-V257 HydrophobicContact CG-CG2 3.43Å; W249-V257 VanDerWaalsContact CG-CG2 3.43Å; V254-V257 HydrophobicContact CG1-CG2 4.26Å; V257-A259 HydrophobicContact CG1-CB 3.94Å; V257-F263 HydrophobicContact CB-CE1 4.16Å; V257-F263 HydrophobicContact CB-CZ 4.3Å; V257-F263 HydrophobicContact CG1-CD1 3.91Å; V257-F263 HydrophobicContact CG1-CD2 4.23Å; V257-F263 HydrophobicContact CG1-CE1 3.86Å; V257-F263 HydrophobicContact CG1-CE2 4.18Å; V257-F263 HydrophobicContact CG1-CG 4.1Å; V257-F263 HydrophobicContact CG1-CZ 4Å; V257-F263 HydrophobicContact CG2-CZ 4.25Å
258V94.5Very high77.4Confident0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-97.4117171.4-168.30000107.7I208 C216 F219 A220 L223 A231 C232 Y233I208-V258 HydrophobicContact CB-CG1 4.24Å; I208-V258 HydrophobicContact CB-CG2 4.46Å; I208-V258 HydrophobicContact CD1-CG2 4.09Å; I208-V258 HydrophobicContact CG2-CG1 4.44Å; I208-V258 CarbonylContact O-C 3.59Å; I208-V258 WeakPolarHBondContact O-CA 3.34Å; C216-V258 HydrophobicContact CB-CG1 4.12Å; F219-V258 HydrophobicContact CB-CG1 3.74Å; F219-V258 HydrophobicContact CB-CG2 4.25Å; A220-V258 HydrophobicContact CB-CG2 4.38Å; L223-V258 HydrophobicContact CD1-CG2 4.22Å; A231-V258 PolarHBondContact O-N 3.36Å; C232-V258 CarbonylContact C-O 3.57Å; C232-V258 WeakPolarHBondContact CA-O 3.42Å; Y233-V258 PolarHBondContact N-O 2.95Å
259A92.3Very high75.9Confident0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-144.3157.6-168.300000114.9I208 Y209 C210 Y233 V257 F263I208-A259 PolarHBondContact O-N 3.45Å; Y209-A259 CarbonylContact C-O 3.46Å; Y209-A259 VanDerWaalsContact CA-O 3.23Å; Y209-A259 WeakPolarHBondContact CA-O 3.44Å; C210-A259 PolarHBondContact N-O 3.14Å; Y233-A259 WeakPolarHBondContact O-CA 3.22Å; Y233-A259 WeakPolarHBondContact O-CB 3.34Å; V257-A259 HydrophobicContact CG1-CB 3.94Å; A259-F263 HydrophobicContact CB-CB 3.3Å; A259-F263 HydrophobicContact CB-CD1 4.27Å; A259-F263 HydrophobicContact CB-CG 3.95Å
260T88Confident73.9Confident18 Ų1831.8 Ų31.811%0.1118%0.181CC..  trans-80.9176159.767.20000110.3C210 C216 Y233 H234 A262 F263C210-T260 WeakPolarHBondContact O-CA 3.33Å; C216-T260 PolarHBondContact SG-N 3.17Å; Y233-T260 PolarHBondContact O-N 2.97Å; H234-T260 HydrophobicContact CB-CG2 4.01Å; T260-A262 PolarHBondContact O-N 2.84Å; T260-A262 WeakPolarHBondContact OG1-CB 3.4Å; T260-F263 PolarHBondContact O-N 2.84Å
261V79.8Confident72.1Confident86 Ų8634 Ų3452%0.52119%0.194SC..THydrogen-bonded Turntrans-53.3-16.7174.3-60.60000113.9F263 E313V261-F263 PolarHBondContact O-N 3.29Å; V261-F263 VanDerWaalsContact O-N 3.14Å; V261-E313 WeakPolarHBondContact CG1-OE1 3.36Å
262A75.1Confident69.7Low41 Ų4132.4 Ų32.434%0.33919%0.187SC..THydrogen-bonded Turntrans-56.7-24.4171.300000113.4Y233 T260Y233-A262 HydrophobicContact CE1-CB 4.31Å; T260-A262 PolarHBondContact O-N 2.84Å; T260-A262 WeakPolarHBondContact OG1-CB 3.4Å
263F73.8Confident67.3Low1 Ų140.1 Ų40.10%0.00421%0.214CC..SBendtrans-93.491.6173.6-168.3-104.5000110.5I207 Y209 Y233 W249 V257 A259 T260 V261 V267I207-F263 HydrophobicContact CD1-CD1 4.07Å; I207-F263 HydrophobicContact CD1-CE1 3.72Å; I207-F263 HydrophobicContact CG1-CD1 4.41Å; I207-F263 HydrophobicContact CG1-CE1 3.99Å; I207-F263 HydrophobicContact CG2-CD1 4.31Å; Y209-F263 WeakPolarHBondContact CE1-O 3.36Å; Y209-F263 PolarHBondContact OH-O 3.23Å; Y233-F263 HydrophobicContact CD1-CB 3.6Å; Y233-F263 AromaticContact CD1-CD2 3.77Å; Y233-F263 HydrophobicContact CD1-CD2 3.77Å; Y233-F263 HydrophobicContact CD1-CG 4.14Å; Y233-F263 AromaticContact CD2-CD2 3.57Å; Y233-F263 HydrophobicContact CD2-CD2 3.57Å; Y233-F263 HydrophobicContact CD2-CE2 4.03Å; Y233-F263 HydrophobicContact CE1-CB 4Å; Y233-F263 AromaticContact CE1-CD2 3.95Å; Y233-F263 HydrophobicContact CE1-CD2 3.95Å; Y233-F263 AromaticContact CE2-CD2 3.73Å; Y233-F263 HydrophobicContact CE2-CD2 3.73Å; Y233-F263 HydrophobicContact CE2-CE2 4.18Å; Y233-F263 HydrophobicContact CG-CB 4.09Å; Y233-F263 AromaticContact CG-CD2 3.59Å; Y233-F263 HydrophobicContact CG-CD2 3.59Å; Y233-F263 HydrophobicContact CG-CE2 4.4Å; Y233-F263 HydrophobicContact CG-CG 4.19Å; Y233-F263 AromaticContact CZ-CD2 3.93Å; W249-F263 HydrophobicContact CD2-CZ 4.14Å; W249-F263 HydrophobicContact CE3-CE1 4.38Å; W249-F263 AromaticContact CE3-CZ 3.76Å; W249-F263 HydrophobicContact CE3-CZ 3.76Å; W249-F263 HydrophobicContact CH2-CE1 4.29Å; W249-F263 HydrophobicContact CH2-CZ 4.44Å; W249-F263 HydrophobicContact CZ3-CE1 4.23Å; W249-F263 AromaticContact CZ3-CZ 3.93Å; W249-F263 HydrophobicContact CZ3-CZ 3.93Å; V257-F263 HydrophobicContact CB-CE1 4.16Å; V257-F263 HydrophobicContact CB-CZ 4.3Å; V257-F263 HydrophobicContact CG1-CD1 3.91Å; V257-F263 HydrophobicContact CG1-CD2 4.23Å; V257-F263 HydrophobicContact CG1-CE1 3.86Å; V257-F263 HydrophobicContact CG1-CE2 4.18Å; V257-F263 HydrophobicContact CG1-CG 4.1Å; V257-F263 HydrophobicContact CG1-CZ 4Å; V257-F263 HydrophobicContact CG2-CZ 4.25Å; A259-F263 HydrophobicContact CB-CB 3.3Å; A259-F263 HydrophobicContact CB-CD1 4.27Å; A259-F263 HydrophobicContact CB-CG 3.95Å; T260-F263 PolarHBondContact O-N 2.84Å; V261-F263 PolarHBondContact O-N 3.29Å; V261-F263 VanDerWaalsContact O-N 3.14Å; F263-V267 HydrophobicContact CD1-CG2 4.35Å; F263-V267 HydrophobicContact CD2-CG2 4.12Å; F263-V267 HydrophobicContact CE1-CG1 4.05Å; F263-V267 HydrophobicContact CE1-CG2 4.17Å; F263-V267 HydrophobicContact CE2-CG2 3.94Å; F263-V267 HydrophobicContact CG-CG2 4.33Å; F263-V267 HydrophobicContact CZ-CG1 3.98Å; F263-V267 HydrophobicContact CZ-CG2 3.96Å
264G62.4Low64.4Low2 Ų241.8 Ų41.82%0.02123%0.228CC..  trans-179.2-45.2175.200000115.1G266 V267 R316G264-G266 PolarHBondContact O-N 3.48Å; G264-V267 PolarHBondContact O-N 3.14Å; G264-V267 VanDerWaalsContact O-N 3.11Å; G264-R316 VanDerWaalsContact C-CZ 3.45Å; G264-R316 PolarHBondContact O-NH1 3.18Å; G264-R316 PolarHBondContact O-NH2 2.76Å; G264-R316 VanDerWaalsContact O-NH2 3.08Å
265M54.1Low61.4Low57 Ų5749.7 Ų49.728%0.28126%0.262SS..THydrogen-bonded Turntrans-73.3106.2-177.6-59.817868.400110P27 L28P27-M265 HydrophobicContact CB-CE 4.26Å; P27-M265 HydrophobicContact CG-CE 3.76Å; L28-M265 HydrophobicContact CD1-CB 3.17Å; L28-M265 HydrophobicContact CD1-CE 3.47Å; L28-M265 VanDerWaalsContact CD1-CE 3.47Å; L28-M265 HydrophobicContact CD1-CG 3.98Å; L28-M265 HydrophobicContact CD1-SD 3.6Å; L28-M265 VanDerWaalsContact CD1-SD 3.6Å; L28-M265 HydrophobicContact CG-CB 4.41Å; L28-M265 HydrophobicContact CG-CE 3.61Å; L28-M265 HydrophobicContact CG-SD 4.27Å
266G49.1Very low58.3Low13 Ų1349.6 Ų49.613%0.13428%0.276CS..THydrogen-bonded Turntrans96.52.6-173.900000115.3G264 D268G264-G266 PolarHBondContact O-N 3.48Å; G266-D268 PolarHBondContact O-N 3.42Å; G266-D268 VanDerWaalsContact O-N 3.16Å
267V51.9Low55Low13 Ų1356 Ų568%0.07931%0.308CS..  trans-83.988.1168.7-174.90000108.1W249 F263 G264W249-V267 HydrophobicContact CE3-CG1 4.29Å; W249-V267 HydrophobicContact CH2-CG1 3.77Å; W249-V267 HydrophobicContact CZ3-CG1 3.29Å; F263-V267 HydrophobicContact CD1-CG2 4.35Å; F263-V267 HydrophobicContact CD2-CG2 4.12Å; F263-V267 HydrophobicContact CE1-CG1 4.05Å; F263-V267 HydrophobicContact CE1-CG2 4.17Å; F263-V267 HydrophobicContact CE2-CG2 3.94Å; F263-V267 HydrophobicContact CG-CG2 4.33Å; F263-V267 HydrophobicContact CZ-CG1 3.98Å; F263-V267 HydrophobicContact CZ-CG2 3.96Å; G264-V267 PolarHBondContact O-N 3.14Å; G264-V267 VanDerWaalsContact O-N 3.11Å
268D51.1Low51.7Low40 Ų4064.9 Ų64.921%0.21435%0.347CS..  trans-99.3116.8158.9-148.6-21000107.4M250 G266 P270 R319M250-D268 VanDerWaalsContact CE-O 3.25Å; M250-D268 WeakPolarHBondContact CE-O 3.34Å; G266-D268 PolarHBondContact O-N 3.42Å; G266-D268 VanDerWaalsContact O-N 3.16Å; D268-P270 HydrophobicContact CB-CG 4.2Å; D268-P270 WeakPolarHBondContact O-CD 3.44Å; D268-P270 WeakPolarHBondContact OD1-CB 3.37Å; D268-P270 WeakPolarHBondContact OD1-CD 3.39Å; D268-P270 VanDerWaalsContact OD1-CG 3.23Å; D268-P270 WeakPolarHBondContact OD1-CG 3.42Å; D268-R319 IonicContact OD1-CZ 2.68Å; D268-R319 IonicContact OD1-NH1 3.07Å; D268-R319 PolarHBondContact OD1-NH1 3.49Å; D268-R319 IonicContact OD2-NH1 3.86Å; D268-R319 PolarHBondContact OD2-NH1 3.01Å
269K56.5Low48.3Very low17 Ų1770.2 Ų70.27%0.07437%0.374CS..  trans-110.567.8166.3-172.7-177.9-179.2690108.4S205 W249 M250 I293S205-K269 WeakPolarHBondContact OG-CE 3.2Å; W249-K269 HydrophobicContact CD2-CD 4.19Å; W249-K269 HydrophobicContact CE3-CD 3.92Å; W249-K269 HydrophobicContact CH2-CB 3.93Å; W249-K269 HydrophobicContact CH2-CD 3.44Å; W249-K269 VanDerWaalsContact CH2-CD 3.44Å; W249-K269 HydrophobicContact CH2-CG 4.35Å; W249-K269 HydrophobicContact CZ2-CD 3.71Å; W249-K269 HydrophobicContact CZ3-CB 3.8Å; W249-K269 HydrophobicContact CZ3-CD 3.53Å; W249-K269 HydrophobicContact CZ3-CG 4.2Å; W249-K269 PolarHBondContact O-NZ 3.29Å; M250-K269 VanDerWaalsContact CA-NZ 3.34Å; M250-K269 PolarHBondContact O-NZ 2.78Å; M250-K269 VanDerWaalsContact O-NZ 3.09Å; M250-K269 HydrophobicContact SD-CB 3.89Å; M250-K269 HydrophobicContact SD-CG 3.87Å; K269-I293 HydrophobicContact CD-CG2 4.37Å; K269-I293 WeakPolarHBondContact CE-O 3.34Å
270P41.1Very low45.1Very low51 Ų5176.2 Ų76.233%0.33141%0.41SS..  trans-94.3-11.4-179.737-29.1000112.2D268D268-P270 HydrophobicContact CB-CG 4.2Å; D268-P270 WeakPolarHBondContact O-CD 3.44Å; D268-P270 WeakPolarHBondContact OD1-CB 3.37Å; D268-P270 WeakPolarHBondContact OD1-CD 3.39Å; D268-P270 VanDerWaalsContact OD1-CG 3.23Å; D268-P270 WeakPolarHBondContact OD1-CG 3.42Å
271D40.3Very low42.2Very low104 Ų10480.4 Ų80.456%0.55644%0.436SS*.  trans-129.791-163.3-68.6-35.2000113.6
272V28.5Very low39.8Very low56 Ų5682 Ų8234%0.33945%0.446SS..  -114.498.6124.8171.90000106.6C274 I293V272-C274 PolarHBondContact O-N 3.31Å; V272-I293 HydrophobicContact CB-CB 3.93Å; V272-I293 HydrophobicContact CB-CD1 3.98Å; V272-I293 HydrophobicContact CB-CG1 3.63Å; V272-I293 HydrophobicContact CG1-CD1 4.32Å; V272-I293 HydrophobicContact CG1-CG1 4.13Å; V272-I293 HydrophobicContact CG2-CB 3.73Å; V272-I293 HydrophobicContact CG2-CD1 3.22Å; V272-I293 HydrophobicContact CG2-CG1 3.42Å; V272-I293 VanDerWaalsContact CG2-CG1 3.42Å; V272-I293 HydrophobicContact CG2-CG2 4.44Å
273R30.2Very low37.6Very low189 Ų18989 Ų8971%0.71347%0.469SS*.  trans-30.7129.5165.2-67.6-178.2172.6171-4109.3F275R273-F275 PolarHBondContact O-N 3Å
274C23.8Very low35.5Very low113 Ų11397.3 Ų97.376%0.76451%0.514SS*.  trans-50.399.2146.4-80.20000106.2V272 A276V272-C274 PolarHBondContact O-N 3.31Å; C274-A276 PolarHBondContact O-N 3.45Å
275F24.5Very low33.9Very low174 Ų174104.2 Ų104.276%0.76355%0.549SS*.  trans-66.276.5146.2-108.2-88.3000104.9R273 M277R273-F275 PolarHBondContact O-N 3Å; F275-M277 PolarHBondContact O-N 3.28Å
276A23.6Very low32.7Very low67 Ų67113.1 Ų113.155%0.55458%0.579SS**  trans-67.685.4145.900000103.7C274 F278C274-A276 PolarHBondContact O-N 3.45Å; A276-F278 PolarHBondContact O-N 2.94Å
277M21.5Very low31.5Very low135 Ų135120 Ų12067%0.66561%0.612SS**  trans-6297.8162.1-143.8-179.7-165.800104.1F275 I279F275-M277 PolarHBondContact O-N 3.28Å; M277-I279 HydrophobicContact CB-CG1 4.4Å; M277-I279 HydrophobicContact CE-CD1 4.03Å; M277-I279 HydrophobicContact CE-CG1 4.49Å; M277-I279 HydrophobicContact CG-CD1 4.12Å; M277-I279 HydrophobicContact CG-CG1 3.8Å; M277-I279 PolarHBondContact O-N 3.4Å; M277-I279 HydrophobicContact SD-CD1 3.49Å; M277-I279 WeakPolarHBondContact SD-CD1 3.46Å; M277-I279 HydrophobicContact SD-CG1 3.89Å
278F23Very low30.4Very low186 Ų186129 Ų12982%0.81665%0.65SS**  trans-65.876.1159-90.1-89.5000106.2A276 T280A276-F278 PolarHBondContact O-N 2.94Å; F278-T280 VanDerWaalsContact C-N 3.28Å; F278-T280 PolarHBondContact O-N 2.95Å
279I23.8Very low29.5Very low111 Ų111131.3 Ų131.357%0.56967%0.665SS**  trans-83.891.9153.9-63-177.4000104.4M277 T281M277-I279 HydrophobicContact CB-CG1 4.4Å; M277-I279 HydrophobicContact CE-CD1 4.03Å; M277-I279 HydrophobicContact CE-CG1 4.49Å; M277-I279 HydrophobicContact CG-CD1 4.12Å; M277-I279 HydrophobicContact CG-CG1 3.8Å; M277-I279 PolarHBondContact O-N 3.4Å; M277-I279 HydrophobicContact SD-CD1 3.49Å; M277-I279 WeakPolarHBondContact SD-CD1 3.46Å; M277-I279 HydrophobicContact SD-CG1 3.89Å; I279-T281 PolarHBondContact O-N 3.32Å
280T25.4Very low28.5Very low126 Ų126136.4 Ų136.477%0.77370%0.698SS**  trans-67.478.3162.9-46.20000107.7F278F278-T280 VanDerWaalsContact C-N 3.28Å; F278-T280 PolarHBondContact O-N 2.95Å
281T25.9Very low28.6Very low107 Ų107138.9 Ų138.966%0.65671%0.708SS**  trans-157.5108.6162.7-42.20000110.3I279 F283I279-T281 PolarHBondContact O-N 3.32Å; T281-F283 PolarHBondContact O-N 3.32Å
282V30.2Very low29Very low120 Ų120134.6 Ų134.673%0.72769%0.689SS**  trans15102.8146.8-166.70000115.2
283F29.3Very low30.8Very low186 Ų186133.1 Ų133.182%0.81668%0.678SS**  trans164.1138.6140.3-95.3-74.6000110.1T281 I285T281-F283 PolarHBondContact O-N 3.32Å; F283-I285 PolarHBondContact O-N 2.83Å
284N28.4Very low32.9Very low176 Ų176125.7 Ų125.794%0.94165%0.651SS**  trans-51.691.1-179.5-93.6-41.5000113.8
285I29.3Very low35.8Very low147 Ų147120.8 Ų120.875%0.75462%0.617SS**  trans-122.2116.9168.3-61.2178000108.9F283 L287F283-I285 PolarHBondContact O-N 2.83Å; I285-L287 PolarHBondContact O-N 2.95Å
286R28.3Very low38.9Very low244 Ų244113 Ų11392%0.92158%0.583SS**  trans-51.2113.1165.9-102.1178.1169.9173-3108.5K288R286-K288 PolarHBondContact O-N 2.78Å
287L25.1Very low42.1Very low157 Ų157109.8 Ų109.882%0.82256%0.557SS**  trans-54.496.6167.9-95.7137.5000109.7I285 V289I285-L287 PolarHBondContact O-N 2.95Å; L287-V289 PolarHBondContact O-N 2.89Å
288K27.9Very low45.5Very low203 Ų203103.3 Ų103.388%0.88353%0.525SS*.  trans-73.290.9155.4-104.5-177.4176.1177.70106R286 V290R286-K288 PolarHBondContact O-N 2.78Å; K288-V290 PolarHBondContact O-N 2.75Å
289V32.6Very low49Very low88 Ų8894.5 Ų94.553%0.53349%0.486SS..  trans-52.1111.3163176.40000106L287 N291L287-V289 PolarHBondContact O-N 2.89Å; V289-N291 PolarHBondContact O-N 2.79Å
290V36.4Very low52.3Low125 Ų12589.3 Ų89.376%0.75846%0.46SS*.  trans-59108.5169.91800000105.1K288 G292K288-V290 PolarHBondContact O-N 2.75Å; V290-G292 PolarHBondContact O-N 2.86Å
291N42.6Very low55.6Low103 Ų10383.9 Ų83.955%0.55143%0.425SS*.  trans-53.4105.3-178.3-88.6-27.4000108.1V289V289-N291 PolarHBondContact O-N 2.79Å
292G49.5Very low58.7Low14 Ų1479.4 Ų79.414%0.14440%0.397CS..  trans-56.7150.2-173.400000111.2V290 F294V290-G292 PolarHBondContact O-N 2.86Å; G292-F294 WeakPolarHBondContact O-CD2 3.17Å; G292-F294 PolarHBondContact O-N 3.19Å
293I64.5Low61.5Low24 Ų2476 Ų7612%0.12338%0.376CS..  trans-77.356.5-170.6-53.5-160.7000109.8N252 K269 V272N252-I293 HydrophobicContact CB-CD1 3.96Å; N252-I293 HydrophobicContact CB-CG2 4.31Å; N252-I293 WeakPolarHBondContact ND2-CB 3.08Å; N252-I293 WeakPolarHBondContact ND2-CD1 3.45Å; N252-I293 WeakPolarHBondContact ND2-CG1 3.43Å; N252-I293 VanDerWaalsContact ND2-CG2 3.29Å; N252-I293 WeakPolarHBondContact ND2-CG2 3.45Å; N252-I293 WeakPolarHBondContact OD1-CG2 3.49Å; K269-I293 HydrophobicContact CD-CG2 4.37Å; K269-I293 WeakPolarHBondContact CE-O 3.34Å; V272-I293 HydrophobicContact CB-CB 3.93Å; V272-I293 HydrophobicContact CB-CD1 3.98Å; V272-I293 HydrophobicContact CB-CG1 3.63Å; V272-I293 HydrophobicContact CG1-CD1 4.32Å; V272-I293 HydrophobicContact CG1-CG1 4.13Å; V272-I293 HydrophobicContact CG2-CB 3.73Å; V272-I293 HydrophobicContact CG2-CD1 3.22Å; V272-I293 HydrophobicContact CG2-CG1 3.42Å; V272-I293 VanDerWaalsContact CG2-CG1 3.42Å; V272-I293 HydrophobicContact CG2-CG2 4.44Å
294F75.5Confident64.2Low33 Ų3368.2 Ų68.215%0.14534%0.344CS..  trans-98.3144.5-171.5-61.9-66.4000111.4G204 S205 G292 R296 D320G204-F294 CarbonylContact C-O 3.53Å; G204-F294 WeakPolarHBondContact CA-O 3.3Å; S205-F294 PolarHBondContact N-O 3.49Å; G292-F294 WeakPolarHBondContact O-CD2 3.17Å; G292-F294 PolarHBondContact O-N 3.19Å; F294-R296 PolarHBondContact O-N 2.91Å; F294-R296 VanDerWaalsContact O-N 3.17Å; F294-D320 HydrophobicContact CD1-CB 3.65Å; F294-D320 HydrophobicContact CD2-CB 4.31Å; F294-D320 WeakPolarHBondContact CD2-OD2 3.45Å; F294-D320 HydrophobicContact CE1-CB 3.61Å; F294-D320 HydrophobicContact CE2-CB 4.24Å; F294-D320 HydrophobicContact CG-CB 4.01Å; F294-D320 WeakPolarHBondContact CG-OD2 3.36Å; F294-D320 HydrophobicContact CZ-CB 3.91Å
295L83.7Confident66.6Low10 Ų1067.6 Ų67.65%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-72.5107175.5-178.854000110S205 I207 W249 V297 V298 R316 A317 G318 S324S205-L295 VanDerWaalsContact O-CD1 3.3Å; S205-L295 WeakPolarHBondContact O-CD1 3.36Å; I207-L295 HydrophobicContact CB-CD1 4.49Å; I207-L295 HydrophobicContact CD1-CD1 4.26Å; I207-L295 HydrophobicContact CD1-CD2 3.58Å; I207-L295 HydrophobicContact CG1-CD1 3.91Å; I207-L295 HydrophobicContact CG1-CD2 4.16Å; W249-L295 HydrophobicContact CZ2-CD1 4.11Å; L295-V297 VanDerWaalsContact CD1-O 3.27Å; L295-V297 WeakPolarHBondContact CD1-O 3.48Å; L295-V298 HydrophobicContact CD1-CG2 4.35Å; L295-V298 HydrophobicContact CD2-CG2 3.88Å; L295-V298 HydrophobicContact CG-CG2 4.14Å; L295-R316 HydrophobicContact CD2-CB 3.56Å; L295-A317 HydrophobicContact CG-CB 4.3Å; L295-A317 WeakPolarHBondContact O-CA 3.49Å; L295-G318 PolarHBondContact O-N 2.68Å; L295-S324 PolarHBondContact O-OG 3.31Å; L295-S324 VanDerWaalsContact O-OG 3.09Å
296R89.6Confident69.1Low10 Ų1062.7 Ų62.74%0.03831%0.314CS..EExtended strand (participates in β ladder)trans-96.4-24.5-176.2-69.2-65.1175.8-129.4-8.3113.7V198 N202 G203 S205 F294 D320 S324 F325V198-R296 HydrophobicContact CG1-CB 4.29Å; N202-R296 HydrophobicContact CB-CG 4.13Å; G203-R296 WeakPolarHBondContact O-CG 3.37Å; S205-R296 PolarHBondContact O-N 3Å; F294-R296 PolarHBondContact O-N 2.91Å; F294-R296 VanDerWaalsContact O-N 3.17Å; R296-D320 IonicContact CZ-OD1 3.93Å; R296-D320 IonicContact CZ-OD2 2.9Å; R296-D320 VanDerWaalsContact CZ-OD2 3.3Å; R296-D320 VanDerWaalsContact NH1-CG 3.34Å; R296-D320 IonicContact NH1-OD1 2.67Å; R296-D320 PolarHBondContact NH1-OD1 3.37Å; R296-D320 IonicContact NH1-OD2 3.75Å; R296-D320 PolarHBondContact NH1-OD2 2.68Å; R296-D320 VanDerWaalsContact NH1-OD2 3.07Å; R296-D320 IonicContact NH2-OD1 3.3Å; R296-D320 IonicContact NH2-OD2 3.77Å; R296-D320 PolarHBondContact NH2-OD2 3.05Å; R296-S324 CarbonylContact O-C 3.54Å; R296-S324 VanDerWaalsContact O-CA 3.23Å; R296-S324 WeakPolarHBondContact O-CA 3.3Å; R296-S324 VanDerWaalsContact O-CB 3.29Å; R296-S324 WeakPolarHBondContact O-CB 3.35Å; R296-F325 PolarHBondContact O-N 3.5Å
297V92.1Very high71.7Confident0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-139.3130.6-176.866.20000111.4F194 L195 V198 L199 S205 G206 I207 L295 V299 F325F194-V297 HydrophobicContact CE1-CG2 3.58Å; F194-V297 HydrophobicContact CZ-CG2 4Å; L195-V297 HydrophobicContact CD2-CG1 3.71Å; L195-V297 HydrophobicContact CD2-CG2 4.19Å; V198-V297 HydrophobicContact CG1-CB 4.08Å; L199-V297 HydrophobicContact CD2-CG1 4.25Å; S205-V297 PolarHBondContact O-N 3.18Å; G206-V297 CarbonylContact C-O 3.53Å; G206-V297 VanDerWaalsContact CA-CG1 3.45Å; G206-V297 VanDerWaalsContact CA-O 3.24Å; G206-V297 WeakPolarHBondContact CA-O 3.45Å; I207-V297 PolarHBondContact N-O 3.32Å; L295-V297 VanDerWaalsContact CD1-O 3.27Å; L295-V297 WeakPolarHBondContact CD1-O 3.48Å; V297-V299 HydrophobicContact CG2-CG2 3.8Å; V297-F325 CarbonylContact C-O 3.57Å; V297-F325 WeakPolarHBondContact CA-O 3.37Å; V297-F325 HydrophobicContact CG2-CB 4.37Å
298V93Very high74.3Confident0 Ų052.2 Ų52.20%028%0.28CS..EExtended strand (participates in β ladder)trans-120.1121.1165.8176.10000107I207 Y209 L295 A317 F325 C326 R327I207-V298 CarbonylContact O-C 3.59Å; I207-V298 WeakPolarHBondContact O-CA 3.48Å; Y209-V298 HydrophobicContact CD2-CG1 3.94Å; Y209-V298 HydrophobicContact CE2-CG1 4Å; L295-V298 HydrophobicContact CD1-CG2 4.35Å; L295-V298 HydrophobicContact CD2-CG2 3.88Å; L295-V298 HydrophobicContact CG-CG2 4.14Å; V298-A317 HydrophobicContact CG2-CB 3.91Å; V298-F325 PolarHBondContact N-O 3.04Å; V298-C326 VanDerWaalsContact O-CA 3.3Å; V298-C326 WeakPolarHBondContact O-CA 3.32Å; V298-R327 PolarHBondContact O-N 3.41Å
299V95.2Very high76.8Confident0 Ų042.9 Ų42.90%024%0.241CC..EExtended strand (participates in β ladder)trans-112.2138.9176.4-179.80000108.9L191 F194 L195 I207 I208 Y209 V297 R327 Y329L191-V299 HydrophobicContact CD1-CB 4.24Å; L191-V299 HydrophobicContact CD1-CG1 3.73Å; L191-V299 HydrophobicContact CD1-CG2 3.87Å; F194-V299 HydrophobicContact CD1-CG2 4.36Å; F194-V299 HydrophobicContact CE1-CG2 3.99Å; L195-V299 HydrophobicContact CD2-CG2 4.21Å; I207-V299 PolarHBondContact O-N 3.25Å; I208-V299 CarbonylContact C-O 3.5Å; I208-V299 WeakPolarHBondContact CA-O 3.25Å; I208-V299 HydrophobicContact CG1-CB 4.33Å; I208-V299 HydrophobicContact CG2-CB 4.27Å; I208-V299 HydrophobicContact CG2-CG1 4.33Å; Y209-V299 PolarHBondContact N-O 3.37Å; V297-V299 HydrophobicContact CG2-CG2 3.8Å; V299-R327 CarbonylContact C-O 3.59Å; V299-R327 WeakPolarHBondContact CA-O 3.33Å; V299-Y329 HydrophobicContact CG1-CD2 3.67Å; V299-Y329 HydrophobicContact CG1-CE2 3.7Å
300H94.7Very high79.5Confident3 Ų340.3 Ų40.31%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-109.5110.5167.6-73.188.1000108.8Y209 N302 P304 Y310 E313 R327 V328 Y329Y209-H300 AromaticContact CD2-CD2 3.99Å; Y209-H300 AromaticContact CD2-CE1 3.85Å; Y209-H300 AromaticContact CD2-NE2 3.5Å; Y209-H300 WeakPolarHBondContact CD2-NE2 3.46Å; Y209-H300 AromaticContact CG-NE2 4Å; H300-N302 WeakPolarHBondContact CB-O 3.23Å; H300-N302 PolarHBondContact O-N 3.17Å; H300-P304 VanDerWaalsContact CD2-CG 3.48Å; H300-P304 WeakPolarHBondContact CD2-CG 3.45Å; H300-Y310 AromaticContact CE1-CD2 3.58Å; H300-Y310 AromaticContact CE1-CE2 3.78Å; H300-Y310 AromaticContact ND1-CD2 3.66Å; H300-Y310 AromaticContact ND1-CE2 3.49Å; H300-Y310 WeakPolarHBondContact ND1-CE2 3.12Å; H300-E313 IonicContact CD2-OE2 3.52Å; H300-E313 PolarHBondContact CD2-OE2 3.04Å; H300-E313 IonicContact CE1-OE2 3.81Å; H300-E313 IonicContact NE2-OE2 3.6Å; H300-E313 PolarHBondContact NE2-OE2 3.35Å; H300-R327 PolarHBondContact N-O 3.24Å; H300-V328 HydrophobicContact CB-CG1 4.39Å; H300-V328 HydrophobicContact CB-CG2 4.21Å; H300-Y329 PolarHBondContact O-N 2.9Å
301W93.9Very high81.8Confident12 Ų1236.2 Ų36.25%0.04519%0.193CC..SBendtrans-75-1176.3-167.6-106000113.1K181 P187 E188 L191 I208 Y209 F219 Y329K181-W301 HydrophobicContact CD-CZ2 4.41Å; K181-W301 VanDerWaalsContact CE-O 3.3Å; K181-W301 WeakPolarHBondContact CE-O 3.13Å; K181-W301 PolarHBondContact NZ-O 2.86Å; P187-W301 HydrophobicContact CB-CH2 3.51Å; P187-W301 HydrophobicContact CB-CZ2 4.09Å; P187-W301 HydrophobicContact CB-CZ3 4.46Å; E188-W301 HydrophobicContact CG-CZ2 4.44Å; L191-W301 HydrophobicContact CB-CZ3 3.93Å; L191-W301 HydrophobicContact CD2-CE3 3.61Å; L191-W301 HydrophobicContact CD2-CZ3 3.67Å; L191-W301 HydrophobicContact CG-CZ3 4.4Å; I208-W301 HydrophobicContact CG2-CB 4.4Å; Y209-W301 PolarHBondContact O-N 3.5Å; F219-W301 HydrophobicContact CD2-CG 4.46Å; F219-W301 HydrophobicContact CE1-CH2 4.3Å; F219-W301 HydrophobicContact CE1-CZ2 4.36Å; F219-W301 HydrophobicContact CE1-CZ3 4.44Å; F219-W301 AromaticContact CE2-CD1 3.56Å; F219-W301 AromaticContact CE2-CD2 3.62Å; F219-W301 HydrophobicContact CE2-CD2 3.62Å; F219-W301 AromaticContact CE2-CE2 3.37Å; F219-W301 HydrophobicContact CE2-CE3 4.39Å; F219-W301 AromaticContact CE2-CG 3.74Å; F219-W301 HydrophobicContact CE2-CG 3.74Å; F219-W301 AromaticContact CE2-CZ2 3.92Å; F219-W301 HydrophobicContact CE2-CZ2 3.92Å; F219-W301 AromaticContact CE2-NE1 3.32Å; F219-W301 VanDerWaalsContact CE2-NE1 3.32Å; F219-W301 AromaticContact CZ-CD2 3.58Å; F219-W301 HydrophobicContact CZ-CD2 3.58Å; F219-W301 AromaticContact CZ-CE2 3.25Å; F219-W301 AromaticContact CZ-CE3 3.97Å; F219-W301 HydrophobicContact CZ-CE3 3.97Å; F219-W301 HydrophobicContact CZ-CG 4.21Å; F219-W301 AromaticContact CZ-CH2 3.66Å; F219-W301 HydrophobicContact CZ-CH2 3.66Å; F219-W301 AromaticContact CZ-CZ2 3.32Å; F219-W301 HydrophobicContact CZ-CZ2 3.32Å; F219-W301 AromaticContact CZ-CZ3 4Å; F219-W301 HydrophobicContact CZ-CZ3 4Å; F219-W301 AromaticContact CZ-NE1 3.72Å; W301-Y329 HydrophobicContact CE3-CD1 4.15Å; W301-Y329 AromaticContact CE3-CD2 3.93Å; W301-Y329 HydrophobicContact CE3-CD2 3.93Å; W301-Y329 AromaticContact CE3-CG 3.75Å; W301-Y329 HydrophobicContact CE3-CG 3.75Å; W301-Y329 HydrophobicContact CH2-CD1 4.26Å; W301-Y329 AromaticContact CZ3-CD1 3.57Å; W301-Y329 HydrophobicContact CZ3-CD1 3.57Å; W301-Y329 HydrophobicContact CZ3-CD2 4.05Å; W301-Y329 AromaticContact CZ3-CE1 3.87Å; W301-Y329 HydrophobicContact CZ3-CE1 3.87Å; W301-Y329 HydrophobicContact CZ3-CE2 4.35Å; W301-Y329 AromaticContact CZ3-CG 3.67Å; W301-Y329 HydrophobicContact CZ3-CG 3.67Å
302N90.2Very high83.6Confident13 Ų1332 Ų327%0.0717%0.17CC..SBendtrans-151.8162.1169.4-55.3102.2000107.7R211 H300 P304 E334R211-N302 HydrophobicContact CB-CB 4.39Å; R211-N302 WeakPolarHBondContact CB-OD1 3.46Å; R211-N302 PolarHBondContact N-OD1 2.64Å; H300-N302 WeakPolarHBondContact CB-O 3.23Å; H300-N302 PolarHBondContact O-N 3.17Å; N302-P304 WeakPolarHBondContact O-CD 3.17Å; N302-E334 PolarHBondContact ND2-OE1 3.01Å; N302-E334 PolarHBondContact ND2-OE2 3.11Å
303V89Confident85.3Confident47 Ų4732 Ų3229%0.28517%0.166SC..  trans-60.5129.8171.7-172.80000109.6R211 V328 Y330R211-V303 PolarHBondContact NH2-O 2.74Å; V303-V328 HydrophobicContact CG2-CG1 4.47Å; V303-Y330 HydrophobicContact CG2-CD2 3.59Å; V303-Y330 HydrophobicContact CG2-CE2 4.21Å
304P86.2Confident86.5Confident24 Ų2430.9 Ų30.916%0.15616%0.16CC..  trans-58.5162.5173.2-26.537.3000112.4H300 N302 S306 Y310H300-P304 VanDerWaalsContact CD2-CG 3.48Å; H300-P304 WeakPolarHBondContact CD2-CG 3.45Å; N302-P304 WeakPolarHBondContact O-CD 3.17Å; P304-S306 PolarHBondContact O-N 2.84Å; P304-Y310 HydrophobicContact CG-CD2 3.69Å; P304-Y310 HydrophobicContact CG-CG 4.1Å
305Q79.9Confident87Confident163 Ų16329.5 Ų29.576%0.76216%0.155SC*.SBendtrans-64.8-29.1-178.6-65-175.1-3.800113.1
306S81.4Confident86.9Confident43 Ų4330 Ų3030%0.30116%0.156SC..  trans-152.7163.9177.970.60000111.2P304 S308 A309 Y310P304-S306 PolarHBondContact O-N 2.84Å; S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.32Å; S306-A309 PolarHBondContact O-N 2.78Å; S306-A309 WeakPolarHBondContact OG-CB 3.18Å; S306-A309 PolarHBondContact OG-N 3.43Å; S306-A309 VanDerWaalsContact OG-N 3.08Å; S306-Y310 PolarHBondContact O-N 3.36Å
307L83.6Confident86.8Confident143 Ų14329.5 Ų29.575%0.74915%0.154SC*.Hα-helixtrans-63-35.6173.1-174.463.1000111.7Y310 Y311L307-Y310 HydrophobicContact CD1-CD1 4.4Å; L307-Y310 PolarHBondContact O-N 3.18Å; L307-Y311 WeakPolarHBondContact O-CB 3.36Å; L307-Y311 PolarHBondContact O-N 3.37Å
308S79.9Confident86.5Confident38 Ų3829.5 Ų29.527%0.26615%0.154SC..Hα-helixtrans-63-44.5176-60.60000111.9S306 Y311 Q312S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.32Å; S308-Y311 PolarHBondContact O-N 2.83Å; S308-Q312 PolarHBondContact O-N 3.46Å
309A80Confident86Confident8 Ų832.5 Ų32.57%0.06617%0.166CC..Hα-helixtrans-61.8-48174.700000110.8S306 Y311 Q312 E313S306-A309 PolarHBondContact O-N 2.78Å; S306-A309 WeakPolarHBondContact OG-CB 3.18Å; S306-A309 PolarHBondContact OG-N 3.43Å; S306-A309 VanDerWaalsContact OG-N 3.08Å; A309-Y311 VanDerWaalsContact C-N 3.3Å; A309-Y311 PolarHBondContact O-N 3.28Å; A309-Q312 PolarHBondContact O-N 3.29Å; A309-Q312 VanDerWaalsContact O-N 3.13Å; A309-E313 WeakPolarHBondContact O-CB 3.37Å; A309-E313 WeakPolarHBondContact O-CG 3.31Å; A309-E313 PolarHBondContact O-N 3.01Å
310Y87.9Confident85.5Confident34 Ų3434.7 Ų34.713%0.13318%0.177CC..Hα-helixtrans-55.3-46.3176.6-179.9-120.3000112.1Y176 H300 P304 S306 L307 Q312 E313 S314 V328Y176-Y310 HydrophobicContact CD1-CE1 4.02Å; Y176-Y310 WeakPolarHBondContact CD1-OH 3.21Å; Y176-Y310 HydrophobicContact CE1-CE1 4.06Å; H300-Y310 AromaticContact CE1-CD2 3.58Å; H300-Y310 AromaticContact CE1-CE2 3.78Å; H300-Y310 AromaticContact ND1-CD2 3.66Å; H300-Y310 AromaticContact ND1-CE2 3.49Å; H300-Y310 WeakPolarHBondContact ND1-CE2 3.12Å; P304-Y310 HydrophobicContact CG-CD2 3.69Å; P304-Y310 HydrophobicContact CG-CG 4.1Å; S306-Y310 PolarHBondContact O-N 3.36Å; L307-Y310 HydrophobicContact CD1-CD1 4.4Å; L307-Y310 PolarHBondContact O-N 3.18Å; Y310-Q312 PolarHBondContact O-N 3.2Å; Y310-E313 PolarHBondContact O-N 2.79Å; Y310-S314 WeakPolarHBondContact O-CB 3.24Å; Y310-S314 PolarHBondContact O-N 3.25Å; Y310-S314 PolarHBondContact O-OG 3.37Å; Y310-V328 HydrophobicContact CD2-CG2 4.12Å; Y310-V328 HydrophobicContact CE2-CG2 3.33Å
311Y84.7Confident85Confident39 Ų3936.9 Ų36.915%0.15320%0.201CC..Hα-helixtrans-62.9-42.4179.3176.2-101.8000111.9P2 T143 C169 L307 S308 A309 S314 G315P2-Y311 WeakPolarHBondContact CB-OH 3.46Å; T143-Y311 HydrophobicContact CG2-CD1 4.17Å; C169-Y311 VanDerWaalsContact CA-OH 3.27Å; C169-Y311 WeakPolarHBondContact CA-OH 3.21Å; C169-Y311 HydrophobicContact CB-CE1 4.47Å; C169-Y311 HydrophobicContact CB-CE2 3.81Å; C169-Y311 WeakPolarHBondContact CB-OH 3.18Å; C169-Y311 VanDerWaalsContact O-CE2 3.32Å; C169-Y311 WeakPolarHBondContact O-CE2 3.13Å; C169-Y311 PolarHBondContact O-OH 3.17Å; C169-Y311 VanDerWaalsContact O-OH 3.08Å; L307-Y311 WeakPolarHBondContact O-CB 3.36Å; L307-Y311 PolarHBondContact O-N 3.37Å; S308-Y311 PolarHBondContact O-N 2.83Å; A309-Y311 VanDerWaalsContact C-N 3.3Å; A309-Y311 PolarHBondContact O-N 3.28Å; Y311-S314 PolarHBondContact O-OG 3.29Å; Y311-G315 WeakPolarHBondContact O-CA 3.45Å; Y311-G315 PolarHBondContact O-N 3.01Å
312Q81.5Confident84.7Confident13 Ų1341.8 Ų41.86%0.06122%0.223CC..Hα-helixtrans-65.5-42.8177.8-163.4-176.920.100112.1H116 T143 S308 A309 Y310H116-Q312 PolarHBondContact NE2-OE1 3.35Å; H116-Q312 VanDerWaalsContact NE2-OE1 3.13Å; T143-Q312 HydrophobicContact CG2-CB 3.96Å; T143-Q312 HydrophobicContact CG2-CG 4.33Å; S308-Q312 PolarHBondContact O-N 3.46Å; A309-Q312 PolarHBondContact O-N 3.29Å; A309-Q312 VanDerWaalsContact O-N 3.13Å; Y310-Q312 PolarHBondContact O-N 3.2Å
313E86Confident84.7Confident16 Ų1648.1 Ų48.18%0.07525%0.246CC..Hα-helixtrans-71.6-50.3-177.5-70.9163.3176.600111.8Y209 V261 H300 A309 Y310 G315 R316Y209-E313 HydrophobicContact CD2-CB 4.12Å; Y209-E313 HydrophobicContact CD2-CG 4.46Å; Y209-E313 HydrophobicContact CE2-CB 3.68Å; Y209-E313 HydrophobicContact CE2-CG 4.01Å; V261-E313 WeakPolarHBondContact CG1-OE1 3.36Å; H300-E313 IonicContact CD2-OE2 3.52Å; H300-E313 PolarHBondContact CD2-OE2 3.04Å; H300-E313 IonicContact CE1-OE2 3.81Å; H300-E313 IonicContact NE2-OE2 3.6Å; H300-E313 PolarHBondContact NE2-OE2 3.35Å; A309-E313 WeakPolarHBondContact O-CB 3.37Å; A309-E313 WeakPolarHBondContact O-CG 3.31Å; A309-E313 PolarHBondContact O-N 3.01Å; Y310-E313 PolarHBondContact O-N 2.79Å; E313-G315 VanDerWaalsContact C-N 3.33Å; E313-G315 PolarHBondContact O-N 2.93Å; E313-R316 WeakPolarHBondContact O-CB 3.42Å; E313-R316 WeakPolarHBondContact O-CD 3.23Å; E313-R316 WeakPolarHBondContact O-CG 3.45Å; E313-R316 PolarHBondContact O-N 2.73Å
314S89.1Confident84.9Confident0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-65.2-36.7175.963.20000112Y310 Y311 R316 A317Y310-S314 WeakPolarHBondContact O-CB 3.24Å; Y310-S314 PolarHBondContact O-N 3.25Å; Y310-S314 PolarHBondContact O-OG 3.37Å; Y311-S314 PolarHBondContact O-OG 3.29Å; S314-R316 PolarHBondContact O-N 2.84Å; S314-A317 WeakPolarHBondContact O-CB 3.48Å; S314-A317 PolarHBondContact O-N 3.06Å
315G84.9Confident85.2Confident3 Ų345.8 Ų45.83%0.03123%0.229CC..THydrogen-bonded Turntrans-64-1176.600000114.8R171 Y311 E313 A317R171-G315 PolarHBondContact NH1-O 3.33Å; Y311-G315 WeakPolarHBondContact O-CA 3.45Å; Y311-G315 PolarHBondContact O-N 3.01Å; E313-G315 VanDerWaalsContact C-N 3.33Å; E313-G315 PolarHBondContact O-N 2.93Å; G315-A317 VanDerWaalsContact C-N 3.31Å
316R82.5Confident85.9Confident20 Ų2038 Ų388%0.07519%0.193CC..THydrogen-bonded Turntrans-71.9-28.1168.3-61.3176.4-173.1-64.9-8.8112Y209 G264 L295 E313 S314Y209-R316 WeakPolarHBondContact OH-CD 3.44Å; Y209-R316 PolarHBondContact OH-NE 2.71Å; G264-R316 VanDerWaalsContact C-CZ 3.45Å; G264-R316 PolarHBondContact O-NH1 3.18Å; G264-R316 PolarHBondContact O-NH2 2.76Å; G264-R316 VanDerWaalsContact O-NH2 3.08Å; L295-R316 HydrophobicContact CD2-CB 3.56Å; E313-R316 WeakPolarHBondContact O-CB 3.42Å; E313-R316 WeakPolarHBondContact O-CD 3.23Å; E313-R316 WeakPolarHBondContact O-CG 3.45Å; E313-R316 PolarHBondContact O-N 2.73Å; S314-R316 PolarHBondContact O-N 2.84Å
317A87.3Confident86.6Confident0 Ų037.2 Ų37.20%018%0.183CC..THydrogen-bonded Turntrans-72154.9-177.200000112.7R171 L174 L295 V298 S314 G315 R319R171-A317 VanDerWaalsContact CZ-O 3.29Å; R171-A317 PolarHBondContact NH1-O 2.8Å; R171-A317 PolarHBondContact NH2-O 3.01Å; L174-A317 HydrophobicContact CD2-CB 3.93Å; L295-A317 HydrophobicContact CG-CB 4.3Å; L295-A317 WeakPolarHBondContact O-CA 3.49Å; V298-A317 HydrophobicContact CG2-CB 3.91Å; S314-A317 WeakPolarHBondContact O-CB 3.48Å; S314-A317 PolarHBondContact O-N 3.06Å; G315-A317 VanDerWaalsContact C-N 3.31Å; A317-R319 VanDerWaalsContact C-N 3.3Å; A317-R319 PolarHBondContact O-N 3.44Å; A317-R319 VanDerWaalsContact O-N 3.14Å
318G86.6Confident87.1Confident0 Ų031 Ų310%015%0.152CC..THydrogen-bonded Turntrans59.831.2163.600000115.2R171 N173 L295 D320 G321 S324R171-G318 PolarHBondContact NH2-O 2.78Å; N173-G318 PolarHBondContact ND2-O 3.5Å; L295-G318 PolarHBondContact O-N 2.68Å; G318-D320 PolarHBondContact O-N 2.93Å; G318-D320 VanDerWaalsContact O-N 3.15Å; G318-G321 PolarHBondContact O-N 3.21Å; G318-S324 WeakPolarHBondContact CA-OG 3.14Å; G318-S324 PolarHBondContact N-OG 2.96Å; G318-S324 VanDerWaalsContact N-OG 3.14Å
319R82.3Confident87.9Confident64 Ų6429.2 Ų29.224%0.24214%0.139CC..THydrogen-bonded Turntrans-63-16.9-179.1-71.2-169.9177.7-168.14.8113.7D268 A317 G321D268-R319 IonicContact OD1-CZ 2.68Å; D268-R319 IonicContact OD1-NH1 3.07Å; D268-R319 PolarHBondContact OD1-NH1 3.49Å; D268-R319 IonicContact OD2-NH1 3.86Å; D268-R319 PolarHBondContact OD2-NH1 3.01Å; A317-R319 VanDerWaalsContact C-N 3.3Å; A317-R319 PolarHBondContact O-N 3.44Å; A317-R319 VanDerWaalsContact O-N 3.14Å; R319-G321 PolarHBondContact O-N 3.41Å
320D83.6Confident88.5Confident45 Ų4531 Ų3124%0.24114%0.144CC..THydrogen-bonded Turntrans-81.65172.268.1-34000113.8F294 R296 G318 K322F294-D320 HydrophobicContact CD1-CB 3.65Å; F294-D320 HydrophobicContact CD2-CB 4.31Å; F294-D320 WeakPolarHBondContact CD2-OD2 3.45Å; F294-D320 HydrophobicContact CE1-CB 3.61Å; F294-D320 HydrophobicContact CE2-CB 4.24Å; F294-D320 HydrophobicContact CG-CB 4.01Å; F294-D320 WeakPolarHBondContact CG-OD2 3.36Å; F294-D320 HydrophobicContact CZ-CB 3.91Å; R296-D320 IonicContact CZ-OD1 3.93Å; R296-D320 IonicContact CZ-OD2 2.9Å; R296-D320 VanDerWaalsContact CZ-OD2 3.3Å; R296-D320 VanDerWaalsContact NH1-CG 3.34Å; R296-D320 IonicContact NH1-OD1 2.67Å; R296-D320 PolarHBondContact NH1-OD1 3.37Å; R296-D320 IonicContact NH1-OD2 3.75Å; R296-D320 PolarHBondContact NH1-OD2 2.68Å; R296-D320 VanDerWaalsContact NH1-OD2 3.07Å; R296-D320 IonicContact NH2-OD1 3.3Å; R296-D320 IonicContact NH2-OD2 3.77Å; R296-D320 PolarHBondContact NH2-OD2 3.05Å; G318-D320 PolarHBondContact O-N 2.93Å; G318-D320 VanDerWaalsContact O-N 3.15Å; D320-K322 PolarHBondContact O-N 2.88Å; D320-K322 WeakPolarHBondContact OD2-CD 3.45Å; D320-K322 WeakPolarHBondContact OD2-CG 3.38Å
321G84.5Confident88.7Confident50 Ų5030 Ų3052%0.51514%0.142SC..SBendtrans77.5-2.8177.900000114.8N173 G318 R319N173-G321 WeakPolarHBondContact CB-O 3.12Å; G318-G321 PolarHBondContact O-N 3.21Å; R319-G321 PolarHBondContact O-N 3.41Å
322K87.5Confident88.7Confident114 Ų11432.3 Ų32.350%0.49615%0.154SC..SBendtrans-82.6163.3175.3-61.9-171.1-167.6-175.30111.5N173 D320 S324N173-K322 PolarHBondContact ND2-O 2.9Å; D320-K322 PolarHBondContact O-N 2.88Å; D320-K322 WeakPolarHBondContact OD2-CD 3.45Å; D320-K322 WeakPolarHBondContact OD2-CG 3.38Å; K322-S324 PolarHBondContact O-N 3.35Å
323R90.6Very high88.9Confident146 Ų14638.9 Ų38.955%0.55118%0.184SC*.  trans-56.6130-179.2-166.6175.4-176.1-166.70.7110.8N173 F325N173-R323 WeakPolarHBondContact O-CA 3.44Å; R323-F325 HydrophobicContact CG-CE2 4.42Å; R323-F325 HydrophobicContact CG-CZ 4.38Å
324S92.2Very high88.7Confident0 Ų040.7 Ų40.70%019%0.193CC..EExtended strand (participates in β ladder)trans-140.2157173.3-69.50000110.3N173 L174 F175 L295 R296 G318 K322N173-S324 PolarHBondContact O-N 2.99Å; L174-S324 WeakPolarHBondContact CA-O 3.25Å; F175-S324 PolarHBondContact N-O 3.28Å; L295-S324 PolarHBondContact O-OG 3.31Å; L295-S324 VanDerWaalsContact O-OG 3.09Å; R296-S324 CarbonylContact O-C 3.54Å; R296-S324 VanDerWaalsContact O-CA 3.23Å; R296-S324 WeakPolarHBondContact O-CA 3.3Å; R296-S324 VanDerWaalsContact O-CB 3.29Å; R296-S324 WeakPolarHBondContact O-CB 3.35Å; G318-S324 WeakPolarHBondContact CA-OG 3.14Å; G318-S324 PolarHBondContact N-OG 2.96Å; G318-S324 VanDerWaalsContact N-OG 3.14Å; K322-S324 PolarHBondContact O-N 3.35Å
325F94Very high88.2Confident23 Ų2346 Ų4610%0.10121%0.213CC..EExtended strand (participates in β ladder)trans-114.6136.2-171.9-60.1-96.8000111.2F175 F194 V198 R296 V297 V298 R323F175-F325 HydrophobicContact CB-CD1 4.03Å; F175-F325 HydrophobicContact CB-CE1 4.37Å; F175-F325 AromaticContact CD1-CD1 3.67Å; F175-F325 HydrophobicContact CD1-CD1 3.67Å; F175-F325 HydrophobicContact CD1-CE1 4.12Å; F175-F325 HydrophobicContact CG-CD1 4.15Å; F175-F325 HydrophobicContact CG-CE1 4.38Å; F194-F325 HydrophobicContact CZ-CB 3.88Å; F194-F325 HydrophobicContact CZ-CG 4.4Å; V198-F325 HydrophobicContact CB-CD2 4.49Å; V198-F325 HydrophobicContact CG1-CD2 3.64Å; V198-F325 HydrophobicContact CG1-CE2 4.05Å; V198-F325 HydrophobicContact CG2-CD2 3.96Å; V198-F325 HydrophobicContact CG2-CE2 4.22Å; V198-F325 HydrophobicContact CG2-CG 4.26Å; R296-F325 PolarHBondContact O-N 3.5Å; V297-F325 CarbonylContact C-O 3.57Å; V297-F325 WeakPolarHBondContact CA-O 3.37Å; V297-F325 HydrophobicContact CG2-CB 4.37Å; V298-F325 PolarHBondContact N-O 3.04Å; R323-F325 HydrophobicContact CG-CE2 4.42Å; R323-F325 HydrophobicContact CG-CZ 4.38Å
326C94.2Very high87.9Confident0 Ų053.6 Ų53.60%024%0.241CC..EExtended strand (participates in β ladder)trans-127.9101.5179.6-63.40000108.6F175 Y176 D177 V298F175-C326 PolarHBondContact O-N 3.47Å; Y176-C326 WeakPolarHBondContact CA-O 2.94Å; Y176-C326 HydrophobicContact CD1-CB 3.53Å; Y176-C326 HydrophobicContact CE1-CB 3.64Å; Y176-C326 HydrophobicContact CG-CB 4.46Å; D177-C326 PolarHBondContact N-O 3.32Å; D177-C326 VanDerWaalsContact N-O 3.1Å; V298-C326 VanDerWaalsContact O-CA 3.3Å; V298-C326 WeakPolarHBondContact O-CA 3.32Å
327R95.1Very high87.6Confident26 Ų2655.9 Ų55.910%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-112.6133.9-173.1-179.1167.8-77-175.9-3.1111.9D177 Q179 H190 F194 V298 V299 H300 Y329D177-R327 VanDerWaalsContact CG-NE 3.31Å; D177-R327 WeakPolarHBondContact O-CA 3.33Å; D177-R327 WeakPolarHBondContact OD1-CA 3.45Å; D177-R327 WeakPolarHBondContact OD1-CB 3.4Å; D177-R327 VanDerWaalsContact OD1-CG 3.31Å; D177-R327 WeakPolarHBondContact OD1-CG 3.46Å; D177-R327 IonicContact OD1-CZ 2.68Å; D177-R327 IonicContact OD1-NE 2.78Å; D177-R327 PolarHBondContact OD1-NE 3.02Å; D177-R327 IonicContact OD1-NH2 3.39Å; D177-R327 IonicContact OD2-CZ 2.84Å; D177-R327 IonicContact OD2-NE 3.15Å; D177-R327 PolarHBondContact OD2-NE 3.31Å; D177-R327 IonicContact OD2-NH2 3.03Å; D177-R327 PolarHBondContact OD2-NH2 3.46Å; Q179-R327 HydrophobicContact CG-CG 4.1Å; H190-R327 PolarHBondContact CE1-NH1 3.47Å; F194-R327 HydrophobicContact CE1-CB 4.04Å; F194-R327 HydrophobicContact CZ-CB 4.31Å; V298-R327 PolarHBondContact O-N 3.41Å; V299-R327 CarbonylContact C-O 3.59Å; V299-R327 WeakPolarHBondContact CA-O 3.33Å; H300-R327 PolarHBondContact N-O 3.24Å; R327-Y329 VanDerWaalsContact CD-CE2 3.44Å; R327-Y329 HydrophobicContact CG-CD2 4.11Å; R327-Y329 HydrophobicContact CG-CE2 3.76Å
328V95.7Very high86.8Confident13 Ų1356.4 Ų56.48%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-107.9128.4169.3-176.10000109.9D177 V178 Q179 H300 V303 Y310D177-V328 PolarHBondContact O-N 2.72Å; V178-V328 CarbonylContact C-O 3.57Å; V178-V328 WeakPolarHBondContact CA-O 3.31Å; V178-V328 HydrophobicContact CG2-CB 4.39Å; Q179-V328 PolarHBondContact N-O 3.09Å; H300-V328 HydrophobicContact CB-CG1 4.39Å; H300-V328 HydrophobicContact CB-CG2 4.21Å; V303-V328 HydrophobicContact CG2-CG1 4.47Å; Y310-V328 HydrophobicContact CD2-CG2 4.12Å; Y310-V328 HydrophobicContact CE2-CG2 3.33Å
329Y95.3Very high86.3Confident0 Ų059.7 Ų59.70%028%0.278CS..EExtended strand (participates in β ladder)trans-91.5106.6165.9-74.4-102.4000108.5Q179 K181 L184 H190 L191 V299 H300 W301 R327Q179-Y329 HydrophobicContact CB-CD1 4.16Å; Q179-Y329 HydrophobicContact CB-CE1 4.17Å; Q179-Y329 CarbonylContact O-C 3.56Å; Q179-Y329 WeakPolarHBondContact O-CA 3.4Å; K181-Y329 HydrophobicContact CG-CD1 4.34Å; L184-Y329 HydrophobicContact CD1-CD1 4.25Å; L184-Y329 HydrophobicContact CD1-CE1 3.91Å; H190-Y329 AromaticContact ND1-CE1 3.58Å; H190-Y329 AromaticContact ND1-CZ 3.76Å; H190-Y329 PolarHBondContact ND1-OH 2.99Å; H190-Y329 VanDerWaalsContact ND1-OH 3.14Å; L191-Y329 VanDerWaalsContact CA-OH 3.25Å; L191-Y329 WeakPolarHBondContact CA-OH 3.32Å; L191-Y329 HydrophobicContact CB-CE1 4.48Å; L191-Y329 HydrophobicContact CB-CE2 4.39Å; L191-Y329 HydrophobicContact CD1-CE2 3.88Å; L191-Y329 PolarHBondContact N-OH 3.47Å; V299-Y329 HydrophobicContact CG1-CD2 3.67Å; V299-Y329 HydrophobicContact CG1-CE2 3.7Å; H300-Y329 PolarHBondContact O-N 2.9Å; W301-Y329 HydrophobicContact CE3-CD1 4.15Å; W301-Y329 AromaticContact CE3-CD2 3.93Å; W301-Y329 HydrophobicContact CE3-CD2 3.93Å; W301-Y329 AromaticContact CE3-CG 3.75Å; W301-Y329 HydrophobicContact CE3-CG 3.75Å; W301-Y329 HydrophobicContact CH2-CD1 4.26Å; W301-Y329 AromaticContact CZ3-CD1 3.57Å; W301-Y329 HydrophobicContact CZ3-CD1 3.57Å; W301-Y329 HydrophobicContact CZ3-CD2 4.05Å; W301-Y329 AromaticContact CZ3-CE1 3.87Å; W301-Y329 HydrophobicContact CZ3-CE1 3.87Å; W301-Y329 HydrophobicContact CZ3-CE2 4.35Å; W301-Y329 AromaticContact CZ3-CG 3.67Å; W301-Y329 HydrophobicContact CZ3-CG 3.67Å; R327-Y329 VanDerWaalsContact CD-CE2 3.44Å; R327-Y329 HydrophobicContact CG-CD2 4.11Å; R327-Y329 HydrophobicContact CG-CE2 3.76Å
330Y93.3Very high85.9Confident46 Ų4662.2 Ų62.218%0.1829%0.291CS..EExtended strand (participates in β ladder)trans-91.6134.5-178.9175.1-87.2000110.3Q179 F180 K181 V303 H332 R335Q179-Y330 PolarHBondContact O-N 3.01Å; F180-Y330 AromaticContact CD1-CD1 3.44Å; F180-Y330 HydrophobicContact CD1-CD1 3.44Å; F180-Y330 VanDerWaalsContact CD1-CD1 3.44Å; F180-Y330 HydrophobicContact CD1-CE1 4.04Å; F180-Y330 HydrophobicContact CD1-CG 4.25Å; F180-Y330 AromaticContact CE1-CD1 3.69Å; F180-Y330 HydrophobicContact CE1-CD1 3.69Å; F180-Y330 HydrophobicContact CE1-CE1 4.07Å; F180-Y330 HydrophobicContact CE1-CG 4.28Å; F180-Y330 HydrophobicContact CG-CD1 4.49Å; K181-Y330 WeakPolarHBondContact CG-O 3.49Å; K181-Y330 PolarHBondContact N-O 3.41Å; V303-Y330 HydrophobicContact CG2-CD2 3.59Å; V303-Y330 HydrophobicContact CG2-CE2 4.21Å; Y330-H332 HydrophobicContact CE1-CB 4.24Å; Y330-H332 PolarHBondContact OH-ND1 3.34Å; Y330-R335 HydrophobicContact CE2-CB 4.38Å
331S91.3Very high85.2Confident11 Ų1165.8 Ų65.88%0.07730%0.304CS..  trans-129.6138.9162.5167.60000110.1E182 E333 R335E182-S331 WeakPolarHBondContact OE1-CA 3.49Å; E182-S331 VanDerWaalsContact OE1-CB 3.23Å; E182-S331 WeakPolarHBondContact OE1-CB 3.37Å; E182-S331 PolarHBondContact OE1-OG 3.29Å; S331-E333 PolarHBondContact OG-N 3.18Å; S331-R335 WeakPolarHBondContact O-CB 3.3Å; S331-R335 PolarHBondContact O-N 3.41Å; S331-R335 VanDerWaalsContact O-N 3.08Å
332H86.5Confident84.6Confident89 Ų8966.9 Ų66.941%0.41230%0.301SS..Hα-helixtrans-66.5-40.1178-167.171.9000111.6E182 Y330 R335 R336E182-H332 PolarHBondContact OE1-N 3.46Å; Y330-H332 HydrophobicContact CE1-CB 4.24Å; Y330-H332 PolarHBondContact OH-ND1 3.34Å; H332-R335 PolarHBondContact O-N 3.23Å; H332-R336 PolarHBondContact NE2-NE 3.17Å; H332-R336 VanDerWaalsContact NE2-NE 3.17Å; H332-R336 PolarHBondContact NE2-NH2 2.77Å; H332-R336 PolarHBondContact O-N 3Å
333E84Confident83.9Confident150 Ų15069.6 Ų69.670%0.70131%0.308SS*.Hα-helixtrans-66.4-49.5179.5-171.1177.8175.500111.2S331 R335 R336 T337S331-E333 PolarHBondContact OG-N 3.18Å; E333-R335 PolarHBondContact O-N 2.93Å; E333-R336 PolarHBondContact O-N 3.25Å; E333-R336 VanDerWaalsContact O-N 3.11Å; E333-T337 PolarHBondContact O-N 3.46Å; E333-T337 VanDerWaalsContact O-N 3.15Å; E333-T337 PolarHBondContact O-OG1 3.25Å
334E82.3Confident82.9Confident55 Ų5566.9 Ų66.926%0.25730%0.302SS..Hα-helixtrans-65.8-27.9179.1-64.2179150.400113.1K181 R211 N302 G338K181-E334 IonicContact NZ-OE1 3.11Å; K181-E334 PolarHBondContact NZ-OE1 3.38Å; K181-E334 IonicContact NZ-OE2 3.94Å; K181-E334 PolarHBondContact NZ-OE2 3.36Å; R211-E334 PolarHBondContact NH1-O 3.11Å; N302-E334 PolarHBondContact ND2-OE1 3.01Å; N302-E334 PolarHBondContact ND2-OE2 3.11Å; E334-G338 PolarHBondContact O-N 2.69Å
335R79.4Confident81.4Confident111 Ų11169.4 Ų69.442%0.41932%0.322SS..Hα-helixtrans-64-47.5172.6179.9-173.5166.6113.24.8110.3Y330 S331 H332 E333 T337 G338 E339Y330-R335 HydrophobicContact CE2-CB 4.38Å; S331-R335 WeakPolarHBondContact O-CB 3.3Å; S331-R335 PolarHBondContact O-N 3.41Å; S331-R335 VanDerWaalsContact O-N 3.08Å; H332-R335 PolarHBondContact O-N 3.23Å; E333-R335 PolarHBondContact O-N 2.93Å; R335-T337 VanDerWaalsContact C-N 3.3Å; R335-T337 PolarHBondContact O-N 3.21Å; R335-G338 PolarHBondContact O-N 3.34Å; R335-G338 VanDerWaalsContact O-N 3.11Å; R335-E339 HydrophobicContact CG-CG 4.45Å; R335-E339 IonicContact CZ-OE1 3.18Å; R335-E339 IonicContact NE-OE1 3.46Å; R335-E339 PolarHBondContact NE-OE1 3.15Å; R335-E339 IonicContact NH2-OE1 2.68Å; R335-E339 PolarHBondContact NH2-OE1 3.05Å; R335-E339 PolarHBondContact O-N 3.43Å
336R79Confident80Confident163 Ų16372 Ų7262%0.61534%0.34SS*.Hα-helixtrans-59.9-43.5178.7-70.5-176.8-174.7-167.71.4111.4H332 E333 G338 E339 F340H332-R336 PolarHBondContact NE2-NE 3.17Å; H332-R336 VanDerWaalsContact NE2-NE 3.17Å; H332-R336 PolarHBondContact NE2-NH2 2.77Å; H332-R336 PolarHBondContact O-N 3Å; E333-R336 PolarHBondContact O-N 3.25Å; E333-R336 VanDerWaalsContact O-N 3.11Å; R336-G338 VanDerWaalsContact C-N 3.32Å; R336-G338 PolarHBondContact O-N 3.27Å; R336-E339 PolarHBondContact O-N 3.47Å; R336-F340 PolarHBondContact O-N 3.04Å
337T75.9Confident78.4Confident67 Ų6778.2 Ų78.241%0.41137%0.369SS..Hα-helixtrans-60.9-41.9175.1-54.40000111.5E333 R335 F340 F341E333-T337 PolarHBondContact O-N 3.46Å; E333-T337 VanDerWaalsContact O-N 3.15Å; E333-T337 PolarHBondContact O-OG1 3.25Å; R335-T337 VanDerWaalsContact C-N 3.3Å; R335-T337 PolarHBondContact O-N 3.21Å; T337-F340 PolarHBondContact O-N 3.43Å; T337-F341 HydrophobicContact CG2-CD2 4.16Å; T337-F341 HydrophobicContact CG2-CE2 3.69Å; T337-F341 WeakPolarHBondContact O-CD2 3.47Å; T337-F341 PolarHBondContact O-N 2.97Å
338G70.7Confident76.5Confident12 Ų1282.3 Ų82.312%0.12439%0.393CS..Hα-helixtrans-63.1-45.8174.900000113.2E334 R335 R336 F340 F341 V342E334-G338 PolarHBondContact O-N 2.69Å; R335-G338 PolarHBondContact O-N 3.34Å; R335-G338 VanDerWaalsContact O-N 3.11Å; R336-G338 VanDerWaalsContact C-N 3.32Å; R336-G338 PolarHBondContact O-N 3.27Å; G338-F340 VanDerWaalsContact C-N 3.28Å; G338-F340 PolarHBondContact O-N 3.11Å; G338-F341 PolarHBondContact O-N 3.42Å; G338-V342 WeakPolarHBondContact O-CG2 3.08Å; G338-V342 PolarHBondContact O-N 2.97Å
339E74.7Confident74.4Confident68 Ų6886.9 Ų86.932%0.31842%0.421SS..Hα-helixtrans-60.7-37.5176.8-75.2-179.1-178.500112R335 R336 V342 R343R335-E339 HydrophobicContact CG-CG 4.45Å; R335-E339 IonicContact CZ-OE1 3.18Å; R335-E339 IonicContact NE-OE1 3.46Å; R335-E339 PolarHBondContact NE-OE1 3.15Å; R335-E339 IonicContact NH2-OE1 2.68Å; R335-E339 PolarHBondContact NH2-OE1 3.05Å; R335-E339 PolarHBondContact O-N 3.43Å; R336-E339 PolarHBondContact O-N 3.47Å; E339-V342 PolarHBondContact O-N 3.08Å; E339-R343 WeakPolarHBondContact O-CB 3.44Å; E339-R343 VanDerWaalsContact O-CG 3.3Å; E339-R343 WeakPolarHBondContact O-CG 3.23Å; E339-R343 PolarHBondContact O-N 3.3Å
340F74.1Confident72.1Confident118 Ų11895.3 Ų95.352%0.51846%0.457SS..Hα-helixtrans-60.4-48.5175.7-179.9-96.2000112R336 T337 G338 V342 R343 Q344R336-F340 PolarHBondContact O-N 3.04Å; T337-F340 PolarHBondContact O-N 3.43Å; G338-F340 VanDerWaalsContact C-N 3.28Å; G338-F340 PolarHBondContact O-N 3.11Å; F340-V342 PolarHBondContact O-N 3.3Å; F340-R343 PolarHBondContact O-N 3.04Å; F340-Q344 HydrophobicContact CE1-CG 4.45Å; F340-Q344 PolarHBondContact O-N 3.38Å
341F70.4Confident69.8Low119 Ų11998.9 Ų98.952%0.52248%0.484SS..Hα-helixtrans-64.6-39.7177.6-73.6-63000112.8T337 G338 R343 Q344 A345T337-F341 HydrophobicContact CG2-CD2 4.16Å; T337-F341 HydrophobicContact CG2-CE2 3.69Å; T337-F341 WeakPolarHBondContact O-CD2 3.47Å; T337-F341 PolarHBondContact O-N 2.97Å; G338-F341 PolarHBondContact O-N 3.42Å; F341-R343 VanDerWaalsContact C-N 3.33Å; F341-R343 PolarHBondContact O-N 3.49Å; F341-Q344 PolarHBondContact O-N 3.4Å; F341-A345 PolarHBondContact O-N 2.99Å
342V70.7Confident67.1Low73 Ų73107.8 Ų107.844%0.44253%0.53SS..Hα-helixtrans-62.1-42.8175.51730000110.6G338 E339 F340 A345 V346G338-V342 WeakPolarHBondContact O-CG2 3.08Å; G338-V342 PolarHBondContact O-N 2.97Å; E339-V342 PolarHBondContact O-N 3.08Å; F340-V342 PolarHBondContact O-N 3.3Å; V342-A345 PolarHBondContact O-N 2.85Å; V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 2.85Å
343R73.7Confident66.1Low172 Ų172108.7 Ų108.765%0.64954%0.536SS*.Hα-helixtrans-62.5-42.7177.1-74.8177.3-175.7-170.74.1112.4E339 F340 F341 V346 Q347E339-R343 WeakPolarHBondContact O-CB 3.44Å; E339-R343 VanDerWaalsContact O-CG 3.3Å; E339-R343 WeakPolarHBondContact O-CG 3.23Å; E339-R343 PolarHBondContact O-N 3.3Å; F340-R343 PolarHBondContact O-N 3.04Å; F341-R343 VanDerWaalsContact C-N 3.33Å; F341-R343 PolarHBondContact O-N 3.49Å; R343-V346 PolarHBondContact O-N 3.28Å; R343-Q347 WeakPolarHBondContact O-CG 3.13Å; R343-Q347 PolarHBondContact O-N 3.28Å
344Q68.3Low65.2Low88 Ų88106.5 Ų106.541%0.41153%0.528SS..Hα-helixtrans-61-44.2174.1-93.8-169.7-4.300112.2F340 F341 V346 Q347 N348F340-Q344 HydrophobicContact CE1-CG 4.45Å; F340-Q344 PolarHBondContact O-N 3.38Å; F341-Q344 PolarHBondContact O-N 3.4Å; Q344-V346 PolarHBondContact O-N 3.48Å; Q344-Q347 PolarHBondContact O-N 3.39Å; Q344-N348 PolarHBondContact O-N 2.97Å
345A61.5Low64.3Low53 Ų53109.4 Ų109.444%0.43854%0.543SS..Hα-helixtrans-62.2-42.817900000112F341 V342 Q347 N348 V349F341-A345 PolarHBondContact O-N 2.99Å; V342-A345 PolarHBondContact O-N 2.85Å; A345-Q347 VanDerWaalsContact C-N 3.33Å; A345-Q347 PolarHBondContact O-N 3.28Å; A345-N348 PolarHBondContact O-N 3.36Å; A345-V349 WeakPolarHBondContact O-CG2 3.15Å; A345-V349 PolarHBondContact O-N 3.04Å
346V64.7Low63.4Low79 Ų79109.3 Ų109.348%0.47955%0.55SS..Hα-helixtrans-64.5-37.6176.6173.40000111.7V342 R343 Q344 V349 K350V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 2.85Å; R343-V346 PolarHBondContact O-N 3.28Å; Q344-V346 PolarHBondContact O-N 3.48Å; V346-V349 PolarHBondContact O-N 3.27Å; V346-K350 PolarHBondContact O-N 3.03Å
347Q59.3Low62.4Low130 Ų130105.9 Ų105.961%0.60755%0.546SS*.Hα-helixtrans-64.2-42175.2-76.7179-15.800111.7R343 Q344 A345 V349 K350 V351R343-Q347 WeakPolarHBondContact O-CG 3.13Å; R343-Q347 PolarHBondContact O-N 3.28Å; Q344-Q347 PolarHBondContact O-N 3.39Å; A345-Q347 VanDerWaalsContact C-N 3.33Å; A345-Q347 PolarHBondContact O-N 3.28Å; Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 3.13Å; Q347-K350 PolarHBondContact O-N 3.26Å; Q347-V351 WeakPolarHBondContact O-CG2 3.37Å
348N55.2Low61.5Low111 Ų111108.5 Ų108.559%0.59456%0.555SS**Hα-helixtrans-66.1-29179-71-17.9000113.5Q344 A345Q344-N348 PolarHBondContact O-N 2.97Å; A345-N348 PolarHBondContact O-N 3.36Å
349V52.4Low60.8Low109 Ų109115.4 Ų115.466%0.66159%0.586SS**Hα-helixtrans-75.5-26.7175.81770000112.1A345 V346 Q347 V351A345-V349 WeakPolarHBondContact O-CG2 3.15Å; A345-V349 PolarHBondContact O-N 3.04Å; V346-V349 PolarHBondContact O-N 3.27Å; Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 3.13Å; V349-V351 VanDerWaalsContact C-N 3.32Å
350K47.9Very low59.8Low177 Ų177119.1 Ų119.177%0.7761%0.606SS**Hα-helixtrans-79.4-12.4178-76.1-170.8175.3-172.80114.4V346 Q347V346-K350 PolarHBondContact O-N 3.03Å; Q347-K350 PolarHBondContact O-N 3.26Å
351V44.7Very low58.6Low121 Ų121119.2 Ų119.273%0.73361%0.614SS**  trans-97.5-9.6-176.6-178.60000112.1Q347 V349Q347-V351 WeakPolarHBondContact O-CG2 3.37Å; V349-V351 VanDerWaalsContact C-N 3.32Å
352N34.1Very low57.5Low198 Ų198119.2 Ų119.2100%1.05962%0.622SS**  trans-108.90170.4-66.5-34.8000110.2

Retrieved 352 of 352 residues in 155.4 ms (Link to these results)

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