A0A3Q0KJS3_SCHMA Loading...

Actin-related protein 2

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A3Q0KJS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 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
1M69.6Low88.5Confident141 Ų14148.5 Ų48.570%0.69530%0.296SS*.  0124.20-172.9177.7-67.600107.8K9 Y24M1-K9 HydrophobicContact SD-CD 3.53Å; M1-K9 VanDerWaalsContact SD-CD 3.53Å; M1-K9 WeakPolarHBondContact SD-CE 3.46Å; M1-K9 HydrophobicContact SD-CG 3.81Å; M1-Y24 HydrophobicContact CE-CD2 4.04Å; M1-Y24 HydrophobicContact CE-CE1 3.98Å; M1-Y24 HydrophobicContact CE-CE2 3.45Å; M1-Y24 VanDerWaalsContact CE-CE2 3.45Å; M1-Y24 HydrophobicContact CG-CD1 3.89Å; M1-Y24 HydrophobicContact CG-CD2 4.3Å; M1-Y24 HydrophobicContact CG-CE1 4.14Å; M1-Y24 HydrophobicContact CG-CG 3.97Å; M1-Y24 HydrophobicContact SD-CD1 4.21Å; M1-Y24 HydrophobicContact SD-CE1 3.83Å; M1-Y24 HydrophobicContact SD-CE2 4.35Å
2T79.5Confident89.3Confident28 Ų2844.5 Ų44.517%0.17227%0.271CS..  trans-81.1133.8-179.1-56.80000110.1I10 A25 N365 K368T2-I10 HydrophobicContact CG2-CD1 4.47Å; T2-A25 WeakPolarHBondContact CB-O 3.46Å; T2-A25 PolarHBondContact OG1-O 2.97Å; T2-N365 VanDerWaalsContact CG2-OD1 3.29Å; T2-N365 WeakPolarHBondContact CG2-OD1 3.38Å; T2-K368 HydrophobicContact CG2-CD 3.93Å
3V88.6Confident89.9Confident69 Ų6941.1 Ų41.142%0.41825%0.25SS..BIsolated β-bridgetrans-122154.9171.8-63.50000110.2N8V3-N8 VanDerWaalsContact CA-O 3.24Å; V3-N8 WeakPolarHBondContact CA-O 3.33Å
4D89.4Confident90.4Very high7 Ų738.8 Ų38.84%0.03724%0.236CC..  trans-80.1-178.4168.9736.8000112.1D6 G7 N8 I10 K108 K368D4-D6 PolarHBondContact O-N 3.25Å; D4-D6 WeakPolarHBondContact OD1-CA 3.26Å; D4-D6 PolarHBondContact OD1-N 2.84Å; D4-G7 PolarHBondContact O-N 3.35Å; D4-G7 PolarHBondContact OD1-N 3.17Å; D4-G7 VanDerWaalsContact OD1-N 3.07Å; D4-N8 PolarHBondContact N-O 3.45Å; D4-N8 WeakPolarHBondContact OD1-CB 3.45Å; D4-N8 PolarHBondContact OD1-N 2.97Å; D4-N8 PolarHBondContact OD1-ND2 3.16Å; D4-N8 PolarHBondContact OD2-ND2 3.21Å; D4-I10 HydrophobicContact CB-CD1 4.25Å; D4-K108 WeakPolarHBondContact OD2-CE 3.36Å; D4-K108 IonicContact OD2-NZ 2.96Å; D4-K108 PolarHBondContact OD2-NZ 2.83Å; D4-K368 WeakPolarHBondContact CB-O 3.46Å
5A89.2Confident90.7Very high72 Ų7237 Ų3760%0.59522%0.224SC*.THydrogen-bonded Turntrans-61.3-19.2178.700000114.8N369A5-N369 PolarHBondContact N-OD1 3Å
6D88.2Confident90.8Very high93 Ų9335.2 Ų35.250%0.49722%0.216SC..THydrogen-bonded Turntrans-983.4177.5-55.2-56.8000112.2D4 N8 R371D4-D6 PolarHBondContact O-N 3.25Å; D4-D6 WeakPolarHBondContact OD1-CA 3.26Å; D4-D6 PolarHBondContact OD1-N 2.84Å; D6-N8 VanDerWaalsContact C-N 3.34Å; D6-R371 IonicContact OD1-CZ 3.17Å; D6-R371 IonicContact OD1-NH2 2.6Å; D6-R371 PolarHBondContact OD1-NH2 2.67Å; D6-R371 IonicContact OD2-CZ 2.68Å; D6-R371 VanDerWaalsContact OD2-CZ 3.23Å; D6-R371 IonicContact OD2-NE 2.66Å; D6-R371 PolarHBondContact OD2-NE 2.93Å; D6-R371 IonicContact OD2-NH2 3.6Å; D6-R371 PolarHBondContact OD2-NH2 3.31Å
7G90.7Very high91Very high49 Ų4933.9 Ų33.951%0.50521%0.208SC..  trans81.27.8-177.300000114.4D4D4-G7 PolarHBondContact O-N 3.35Å; D4-G7 PolarHBondContact OD1-N 3.17Å; D4-G7 VanDerWaalsContact OD1-N 3.07Å
8N91.2Very high91.1Very high8 Ų832.5 Ų32.54%0.04320%0.201CC..  trans-69.9134.5177.1-58.4-64.6000110.3V3 D4 D6 H106 K108 N136V3-N8 VanDerWaalsContact CA-O 3.24Å; V3-N8 WeakPolarHBondContact CA-O 3.33Å; D4-N8 PolarHBondContact N-O 3.45Å; D4-N8 WeakPolarHBondContact OD1-CB 3.45Å; D4-N8 PolarHBondContact OD1-N 2.97Å; D4-N8 PolarHBondContact OD1-ND2 3.16Å; D4-N8 PolarHBondContact OD2-ND2 3.21Å; D6-N8 VanDerWaalsContact C-N 3.34Å; N8-H106 WeakPolarHBondContact CA-O 3.48Å; N8-K108 HydrophobicContact CB-CG 4.43Å; N8-N136 PolarHBondContact ND2-ND2 3.32Å
9K94.2Very high91.4Very high67 Ų6733.4 Ų33.429%0.29120%0.202SC..EExtended strand (participates in β ladder)trans-67.4145.2169.2-63.8-179.5-179.3-175.30109.6M1 Y24 I102 H106 A107 K108M1-K9 HydrophobicContact SD-CD 3.53Å; M1-K9 VanDerWaalsContact SD-CD 3.53Å; M1-K9 WeakPolarHBondContact SD-CE 3.46Å; M1-K9 HydrophobicContact SD-CG 3.81Å; K9-Y24 HydrophobicContact CB-CD1 4.42Å; K9-Y24 HydrophobicContact CB-CE1 4.11Å; K9-Y24 HydrophobicContact CD-CE1 3.92Å; K9-Y24 HydrophobicContact CG-CE1 4.44Å; K9-I102 HydrophobicContact CD-CG2 4.03Å; K9-H106 PolarHBondContact N-O 3.33Å; K9-A107 HydrophobicContact CB-CB 4.45Å; K9-A107 CarbonylContact O-C 3.53Å; K9-A107 VanDerWaalsContact O-CA 3.23Å; K9-A107 WeakPolarHBondContact O-CA 3.3Å; K9-K108 PolarHBondContact O-N 3.34Å
10I96.1Very high91.7Very high0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-113.9107.5178.8-51.6176.2000109.1T2 D4 Y24 A25 K108 A364 K368 W375T2-I10 HydrophobicContact CG2-CD1 4.47Å; D4-I10 HydrophobicContact CB-CD1 4.25Å; I10-Y24 CarbonylContact O-C 3.58Å; I10-Y24 VanDerWaalsContact O-CA 3.31Å; I10-Y24 WeakPolarHBondContact O-CA 3.48Å; I10-A25 HydrophobicContact CB-CB 3.79Å; I10-A25 HydrophobicContact CG2-CB 3.69Å; I10-A25 PolarHBondContact O-N 3.36Å; I10-K108 HydrophobicContact CG1-CB 4.48Å; I10-A364 HydrophobicContact CG2-CB 3.86Å; I10-K368 HydrophobicContact CD1-CB 3.2Å; I10-W375 HydrophobicContact CG2-CH2 3.83Å; I10-W375 HydrophobicContact CG2-CZ2 4.16Å
11V97.2Very high92Very high0 Ų031.5 Ų31.50%019%0.188CC..EExtended strand (participates in β ladder)trans-92.6141.8-176.3178.40000109.4G23 Y24 M100 I102 A107 K108 I109 L110V11-G23 WeakPolarHBondContact CA-O 3.47Å; V11-Y24 HydrophobicContact CG2-CE1 4.33Å; V11-M100 HydrophobicContact CG1-CE 4.16Å; V11-M100 HydrophobicContact CG2-CE 4.31Å; V11-I102 HydrophobicContact CG2-CD1 3.56Å; V11-A107 HydrophobicContact CG2-CB 4.45Å; V11-K108 PolarHBondContact N-O 2.85Å; V11-I109 HydrophobicContact CB-CB 4.41Å; V11-I109 HydrophobicContact CB-CG1 4.23Å; V11-I109 HydrophobicContact CG1-CD1 4.25Å; V11-I109 HydrophobicContact CG1-CG1 4.18Å; V11-I109 CarbonylContact O-C 3.57Å; V11-I109 WeakPolarHBondContact O-CA 3.37Å; V11-L110 PolarHBondContact O-N 3.34Å
12V97.7Very high93.4Very high0 Ų024.8 Ų24.80%016%0.155CC..EExtended strand (participates in β ladder)trans-121.9129.7171.8179.50000107.7C22 G23 L110 F357 A364V12-C22 WeakPolarHBondContact O-CA 3.15Å; V12-G23 PolarHBondContact N-O 3.46Å; V12-G23 PolarHBondContact O-N 2.9Å; V12-G23 VanDerWaalsContact O-N 3.08Å; V12-L110 WeakPolarHBondContact CA-O 3.24Å; V12-L110 HydrophobicContact CG1-CD2 4.18Å; V12-L110 HydrophobicContact CG2-CB 4.33Å; V12-F357 HydrophobicContact CB-CD2 4.3Å; V12-F357 HydrophobicContact CB-CE2 3.79Å; V12-F357 HydrophobicContact CB-CZ 4.41Å; V12-F357 HydrophobicContact CG1-CD2 3.8Å; V12-F357 HydrophobicContact CG1-CE2 3.83Å; V12-A364 HydrophobicContact CG2-CB 3.96Å
13C97.6Very high94.2Very high0 Ų023.5 Ų23.50%015%0.147CC..EExtended strand (participates in β ladder)trans-135.5112.3-179.5-167.50000111.1N15 C22 I109 L110 L111 T112C13-N15 PolarHBondContact SG-OD1 3.37Å; C13-C22 HydrophobicContact CB-CB 4.29Å; C13-I109 HydrophobicContact CB-CD1 4.44Å; C13-L110 PolarHBondContact N-O 3.43Å; C13-L111 HydrophobicContact CB-CD2 3.74Å; C13-T112 PolarHBondContact O-N 3.33Å
14D96.6Very high94.6Very high9 Ų920.8 Ų20.85%0.04813%0.13CC..EExtended strand (participates in β ladder)trans-90.5108.5168.8175.843.8000110.6G16 V20 K21 T112 Q143 V356D14-G16 VanDerWaalsContact C-N 3.34Å; D14-G16 PolarHBondContact O-N 3.18Å; D14-V20 WeakPolarHBondContact O-CA 3.36Å; D14-K21 HydrophobicContact CB-CB 4.4Å; D14-K21 HydrophobicContact CB-CD 4.13Å; D14-K21 PolarHBondContact N-O 2.93Å; D14-K21 PolarHBondContact O-N 3.28Å; D14-K21 WeakPolarHBondContact OD2-CD 3.35Å; D14-K21 IonicContact OD2-NZ 3.05Å; D14-K21 PolarHBondContact OD2-NZ 3.05Å; D14-T112 VanDerWaalsContact CA-OG1 3.31Å; D14-T112 WeakPolarHBondContact CA-OG1 3.42Å; D14-T112 HydrophobicContact CB-CG2 4Å; D14-T112 PolarHBondContact OD1-OG1 2.87Å; D14-Q143 PolarHBondContact OD1-NE2 3.45Å; D14-Q143 VanDerWaalsContact OD1-NE2 3.12Å; D14-V356 HydrophobicContact CB-CG1 4.29Å
15N94.1Very high94.9Very high12 Ų1220.5 Ų20.56%0.06413%0.128CC..EExtended strand (participates in β ladder)trans-84.874.4-178.6-57-49000110.1C13 L76 M87 Y91 T112C13-N15 PolarHBondContact SG-OD1 3.37Å; N15-L76 HydrophobicContact CB-CD2 4.26Å; N15-L76 WeakPolarHBondContact O-CD2 3.29Å; N15-M87 HydrophobicContact CB-CE 4.08Å; N15-Y91 PolarHBondContact ND2-OH 2.93Å; N15-Y91 VanDerWaalsContact ND2-OH 3.14Å; N15-T112 PolarHBondContact N-OG1 3.43Å
16G93.4Very high95.1Very high8 Ų819 Ų198%0.08212%0.119CC..  trans-75.4149.9178.500000112.8D14 G18 F19 S36D14-G16 VanDerWaalsContact C-N 3.34Å; D14-G16 PolarHBondContact O-N 3.18Å; G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.15Å; G16-F19 WeakPolarHBondContact CA-O 3.21Å; G16-F19 PolarHBondContact N-O 3.24Å; G16-S36 WeakPolarHBondContact O-CB 3.47Å; G16-S36 PolarHBondContact O-OG 3.13Å
17T93.8Very high95.3Very high14 Ų1416.1 Ų16.19%0.08611%0.108CC..SBendtrans-59.4-41.4177.4-50.80000113.5L76 G79T17-L76 HydrophobicContact CG2-CB 4.45Å; T17-G79 VanDerWaalsContact OG1-CA 3.29Å; T17-G79 WeakPolarHBondContact OG1-CA 3.18Å; T17-G79 PolarHBondContact OG1-N 3.3Å
18G93.7Very high95.3Very high8 Ų818.4 Ų18.48%0.08211%0.113CC..SBendtrans-91.9-38.2178.400000113.2G16 P35 S36 D163G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.15Å; G18-P35 WeakPolarHBondContact O-CA 3.38Å; G18-S36 PolarHBondContact O-N 3.11Å; G18-D163 WeakPolarHBondContact CA-OD2 3.49Å
19F96.4Very high95.4Very high49 Ų4923.2 Ų23.222%0.21513%0.133CC..EExtended strand (participates in β ladder)trans-141.4134.2-173.4-64.5-92.6000111.3G16 K21 I33 F34 P35 S36G16-F19 WeakPolarHBondContact CA-O 3.21Å; G16-F19 PolarHBondContact N-O 3.24Å; F19-K21 WeakPolarHBondContact O-CE 3.38Å; F19-K21 PolarHBondContact O-NZ 3.06Å; F19-I33 HydrophobicContact CB-CG2 4.3Å; F19-I33 HydrophobicContact CD1-CG2 4.22Å; F19-F34 CarbonylContact C-O 3.49Å; F19-F34 VanDerWaalsContact CA-O 3.26Å; F19-F34 WeakPolarHBondContact CA-O 3.49Å; F19-P35 HydrophobicContact CD1-CG 4.36Å; F19-P35 HydrophobicContact CE1-CG 4.02Å; F19-S36 WeakPolarHBondContact CA-OG 3.47Å; F19-S36 PolarHBondContact N-OG 3.45Å
20V97.5Very high95.5Very high0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-78140163.7179.80000108.3D14 C22 I33 F34 S36 L90 I94D14-V20 WeakPolarHBondContact O-CA 3.36Å; V20-C22 HydrophobicContact CG1-CB 4.46Å; V20-I33 WeakPolarHBondContact O-CA 3.2Å; V20-F34 HydrophobicContact CB-CD2 4.32Å; V20-F34 HydrophobicContact CB-CE1 4.18Å; V20-F34 HydrophobicContact CB-CE2 3.88Å; V20-F34 HydrophobicContact CB-CZ 3.82Å; V20-F34 HydrophobicContact CG1-CE1 4.13Å; V20-F34 HydrophobicContact CG1-CE2 4.4Å; V20-F34 HydrophobicContact CG1-CZ 3.87Å; V20-F34 HydrophobicContact CG2-CE2 3.94Å; V20-F34 HydrophobicContact CG2-CZ 4.22Å; V20-F34 PolarHBondContact N-O 3.15Å; V20-F34 PolarHBondContact O-N 2.92Å; V20-S36 WeakPolarHBondContact CG2-OG 3.46Å; V20-S36 PolarHBondContact N-OG 3.48Å; V20-S36 VanDerWaalsContact N-OG 3.11Å; V20-L90 HydrophobicContact CG2-CD1 4.24Å; V20-L90 HydrophobicContact CG2-CD2 3.76Å; V20-L90 HydrophobicContact CG2-CG 4.14Å; V20-I94 HydrophobicContact CG1-CD1 3.85Å; V20-I94 HydrophobicContact CG1-CG1 4.05Å; V20-I94 HydrophobicContact CG2-CD1 4.37Å
21K97.8Very high95.5Very high28 Ų2825.8 Ų25.812%0.12215%0.148CC..EExtended strand (participates in β ladder)trans-127.5118.4167.2-48.493.1-171.2169.30108.4D14 F19 P30 F32 I33 F357D14-K21 HydrophobicContact CB-CB 4.4Å; D14-K21 HydrophobicContact CB-CD 4.13Å; D14-K21 PolarHBondContact N-O 2.93Å; D14-K21 PolarHBondContact O-N 3.28Å; D14-K21 WeakPolarHBondContact OD2-CD 3.35Å; D14-K21 IonicContact OD2-NZ 3.05Å; D14-K21 PolarHBondContact OD2-NZ 3.05Å; F19-K21 WeakPolarHBondContact O-CE 3.38Å; F19-K21 PolarHBondContact O-NZ 3.06Å; K21-P30 HydrophobicContact CB-CB 3.79Å; K21-P30 HydrophobicContact CB-CG 3.77Å; K21-P30 HydrophobicContact CG-CG 4.29Å; K21-F32 WeakPolarHBondContact CA-O 3.49Å; K21-I33 HydrophobicContact CB-CG1 4.36Å; K21-I33 HydrophobicContact CG-CG1 4.05Å; K21-I33 HydrophobicContact CG-CG2 4.22Å; K21-F357 HydrophobicContact CB-CB 4.45Å; K21-F357 HydrophobicContact CB-CD2 4.42Å
22C97.7Very high95.6Very high0 Ų028 Ų280%016%0.158CC..EExtended strand (participates in β ladder)trans-135159.2-179.264.10000111.9V12 C13 V20 E31 F32 I94 M100V12-C22 WeakPolarHBondContact O-CA 3.15Å; C13-C22 HydrophobicContact CB-CB 4.29Å; V20-C22 HydrophobicContact CG1-CB 4.46Å; C22-E31 PolarHBondContact O-N 3.46Å; C22-F32 PolarHBondContact N-O 2.88Å; C22-F32 PolarHBondContact O-N 3.27Å; C22-I94 HydrophobicContact CB-CG2 4.24Å; C22-M100 HydrophobicContact CB-SD 4.3Å
23G97.6Very high95.5Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans172.2-158.9-17700000110.3V11 V12 M100V11-G23 WeakPolarHBondContact CA-O 3.47Å; V12-G23 PolarHBondContact N-O 3.46Å; V12-G23 PolarHBondContact O-N 2.9Å; V12-G23 VanDerWaalsContact O-N 3.08Å; G23-M100 WeakPolarHBondContact O-CE 3.22Å
24Y96.9Very high95.5Very high13 Ų1331.4 Ų31.45%0.05118%0.175CC..EExtended strand (participates in β ladder)trans-110153.3-176.7-61.8-81.5000112.3M1 K9 I10 V11 A27 E31 M100 I102 S361M1-Y24 HydrophobicContact CE-CD2 4.04Å; M1-Y24 HydrophobicContact CE-CE1 3.98Å; M1-Y24 HydrophobicContact CE-CE2 3.45Å; M1-Y24 VanDerWaalsContact CE-CE2 3.45Å; M1-Y24 HydrophobicContact CG-CD1 3.89Å; M1-Y24 HydrophobicContact CG-CD2 4.3Å; M1-Y24 HydrophobicContact CG-CE1 4.14Å; M1-Y24 HydrophobicContact CG-CG 3.97Å; M1-Y24 HydrophobicContact SD-CD1 4.21Å; M1-Y24 HydrophobicContact SD-CE1 3.83Å; M1-Y24 HydrophobicContact SD-CE2 4.35Å; K9-Y24 HydrophobicContact CB-CD1 4.42Å; K9-Y24 HydrophobicContact CB-CE1 4.11Å; K9-Y24 HydrophobicContact CD-CE1 3.92Å; K9-Y24 HydrophobicContact CG-CE1 4.44Å; I10-Y24 CarbonylContact O-C 3.58Å; I10-Y24 VanDerWaalsContact O-CA 3.31Å; I10-Y24 WeakPolarHBondContact O-CA 3.48Å; V11-Y24 HydrophobicContact CG2-CE1 4.33Å; Y24-A27 WeakPolarHBondContact O-CB 3.35Å; Y24-A27 PolarHBondContact O-N 2.96Å; Y24-E31 WeakPolarHBondContact CD2-OE2 3.42Å; Y24-E31 WeakPolarHBondContact CE2-OE2 3.43Å; Y24-M100 HydrophobicContact CD1-CE 4Å; Y24-M100 HydrophobicContact CD2-CE 3.86Å; Y24-M100 HydrophobicContact CE1-CE 3.59Å; Y24-M100 HydrophobicContact CE2-CE 3.43Å; Y24-M100 VanDerWaalsContact CE2-CE 3.43Å; Y24-M100 HydrophobicContact CE2-SD 4.5Å; Y24-M100 HydrophobicContact CG-CE 4.13Å; Y24-M100 PolarHBondContact OH-O 3.18Å; Y24-M100 VanDerWaalsContact OH-O 3.13Å; Y24-I102 HydrophobicContact CE1-CG2 4.29Å; Y24-I102 WeakPolarHBondContact OH-CG2 3.29Å; Y24-S361 PolarHBondContact O-OG 2.81Å
25A95.8Very high95.5Very high1 Ų131.7 Ų31.71%0.00818%0.177CC..THydrogen-bonded Turntrans-55.5140.9171.900000111.6T2 I10 A27 A364 N365T2-A25 WeakPolarHBondContact CB-O 3.46Å; T2-A25 PolarHBondContact OG1-O 2.97Å; I10-A25 HydrophobicContact CB-CB 3.79Å; I10-A25 HydrophobicContact CG2-CB 3.69Å; I10-A25 PolarHBondContact O-N 3.36Å; A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 3.13Å; A25-A364 HydrophobicContact CB-CB 3.73Å; A25-N365 HydrophobicContact CB-CB 4.17Å
26G92.7Very high95.6Very high40 Ų4031.1 Ų31.141%0.41217%0.174SC..THydrogen-bonded Turntrans81.5-2.8-175.900000114.8S361G26-S361 PolarHBondContact N-O 2.92Å; G26-S361 VanDerWaalsContact N-O 3.1Å; G26-S361 PolarHBondContact N-OG 2.86Å
27A93.4Very high95.7Very high32 Ų3231 Ų3126%0.26417%0.172SC..  trans-73.5141.4170.900000111.6Y24 A25 F29 F357 S361Y24-A27 WeakPolarHBondContact O-CB 3.35Å; Y24-A27 PolarHBondContact O-N 2.96Å; A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 3.13Å; A27-F29 WeakPolarHBondContact CB-O 3.26Å; A27-F357 HydrophobicContact CB-CE1 4.41Å; A27-S361 PolarHBondContact N-OG 3.48Å; A27-S361 WeakPolarHBondContact O-CB 3.35Å; A27-S361 PolarHBondContact O-OG 3.47Å
28T90.7Very high95.8Very high98 Ų9830.4 Ų30.460%0.60117%0.168SC*.SBendtrans-86.6-15.7175.750.90000113.2
29F92.6Very high95.9Very high108 Ų10830 Ų3047%0.47416%0.164SC..SBendtrans-138.6151.2174.9-67.2-83.2000109.7A27 E31 Q351 F357A27-F29 WeakPolarHBondContact CB-O 3.26Å; F29-E31 PolarHBondContact O-N 3.32Å; F29-Q351 HydrophobicContact CE1-CG 4.05Å; F29-Q351 HydrophobicContact CZ-CG 4.24Å; F29-Q351 VanDerWaalsContact CZ-NE2 3.31Å; F29-F357 VanDerWaalsContact C-CE1 3.49Å
30P96.1Very high95.8Very high14 Ų1431.7 Ų31.79%0.09117%0.169CC..  trans-60.4136.6169.9-11.523.3000110.2K21 F32 I33 H354 F357K21-P30 HydrophobicContact CB-CB 3.79Å; K21-P30 HydrophobicContact CB-CG 3.77Å; K21-P30 HydrophobicContact CG-CG 4.29Å; P30-F32 VanDerWaalsContact C-N 3.34Å; P30-I33 HydrophobicContact CB-CD1 4.33Å; P30-I33 HydrophobicContact CB-CG1 3.86Å; P30-I33 HydrophobicContact CG-CD1 4.12Å; P30-I33 HydrophobicContact CG-CG1 4.07Å; P30-H354 HydrophobicContact CG-CB 4.18Å; P30-F357 VanDerWaalsContact CA-CE1 3.41Å; P30-F357 HydrophobicContact CB-CD1 3.99Å; P30-F357 HydrophobicContact CB-CD2 4.16Å; P30-F357 HydrophobicContact CB-CE1 4.04Å; P30-F357 HydrophobicContact CB-CE2 4.21Å; P30-F357 HydrophobicContact CB-CG 4.07Å; P30-F357 HydrophobicContact CB-CZ 4.16Å; P30-F357 HydrophobicContact CG-CB 4.12Å; P30-F357 HydrophobicContact CG-CD1 3.56Å; P30-F357 HydrophobicContact CG-CD2 4.27Å; P30-F357 HydrophobicContact CG-CE1 4.07Å; P30-F357 HydrophobicContact CG-CG 3.69Å; P30-F357 VanDerWaalsContact N-CE1 3.33Å
31E96.8Very high95.5Very high108 Ų10833.3 Ų33.351%0.50518%0.18SC..SBendtrans-71.5-36.1177.3-170.8171.1167.300110.9C22 Y24 F29C22-E31 PolarHBondContact O-N 3.46Å; Y24-E31 WeakPolarHBondContact CD2-OE2 3.42Å; Y24-E31 WeakPolarHBondContact CE2-OE2 3.43Å; F29-E31 PolarHBondContact O-N 3.32Å
32F97.8Very high95.1Very high47 Ų4737.2 Ų37.221%0.20620%0.201CC..EExtended strand (participates in β ladder)trans-127.5135.9175.5-54-80.6000110.7K21 C22 P30 F34 K99 M100K21-F32 WeakPolarHBondContact CA-O 3.49Å; C22-F32 PolarHBondContact N-O 2.88Å; C22-F32 PolarHBondContact O-N 3.27Å; P30-F32 VanDerWaalsContact C-N 3.34Å; F32-F34 HydrophobicContact CB-CD1 4.14Å; F32-F34 HydrophobicContact CB-CE1 4.25Å; F32-K99 HydrophobicContact CB-CD 4.12Å; F32-K99 HydrophobicContact CD1-CB 4.46Å; F32-K99 HydrophobicContact CD1-CD 3.64Å; F32-K99 HydrophobicContact CD2-CB 4.28Å; F32-K99 HydrophobicContact CE1-CD 4.26Å; F32-K99 VanDerWaalsContact CE2-C 3.46Å; F32-K99 HydrophobicContact CE2-CB 4.49Å; F32-K99 WeakPolarHBondContact CE2-O 3.27Å; F32-K99 HydrophobicContact CG-CB 4.26Å; F32-K99 HydrophobicContact CG-CD 3.91Å; F32-K99 WeakPolarHBondContact CZ-O 3.39Å; F32-M100 HydrophobicContact CD2-CG 4.42Å; F32-M100 HydrophobicContact CD2-SD 3.59Å; F32-M100 VanDerWaalsContact CD2-SD 3.59Å; F32-M100 HydrophobicContact CE2-SD 3.73Å
33I97.4Very high94.4Very high70 Ų7043.7 Ų43.736%0.35923%0.234SC..EExtended strand (participates in β ladder)trans-132.4121169.9-57.2164.8000106.3F19 V20 K21 P30 H354F19-I33 HydrophobicContact CB-CG2 4.3Å; F19-I33 HydrophobicContact CD1-CG2 4.22Å; V20-I33 WeakPolarHBondContact O-CA 3.2Å; K21-I33 HydrophobicContact CB-CG1 4.36Å; K21-I33 HydrophobicContact CG-CG1 4.05Å; K21-I33 HydrophobicContact CG-CG2 4.22Å; P30-I33 HydrophobicContact CB-CD1 4.33Å; P30-I33 HydrophobicContact CB-CG1 3.86Å; P30-I33 HydrophobicContact CG-CD1 4.12Å; P30-I33 HydrophobicContact CG-CG1 4.07Å; I33-H354 VanDerWaalsContact CD1-CE1 3.42Å; I33-H354 WeakPolarHBondContact CD1-CE1 3.42Å
34F97Very high93.2Very high1 Ų156 Ų560%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-150.7159.2-179.757.8-90.9000111.1F19 V20 F32 D61 L90 Y93 I94 K99F19-F34 CarbonylContact C-O 3.49Å; F19-F34 VanDerWaalsContact CA-O 3.26Å; F19-F34 WeakPolarHBondContact CA-O 3.49Å; V20-F34 HydrophobicContact CB-CD2 4.32Å; V20-F34 HydrophobicContact CB-CE1 4.18Å; V20-F34 HydrophobicContact CB-CE2 3.88Å; V20-F34 HydrophobicContact CB-CZ 3.82Å; V20-F34 HydrophobicContact CG1-CE1 4.13Å; V20-F34 HydrophobicContact CG1-CE2 4.4Å; V20-F34 HydrophobicContact CG1-CZ 3.87Å; V20-F34 HydrophobicContact CG2-CE2 3.94Å; V20-F34 HydrophobicContact CG2-CZ 4.22Å; V20-F34 PolarHBondContact N-O 3.15Å; V20-F34 PolarHBondContact O-N 2.92Å; F32-F34 HydrophobicContact CB-CD1 4.14Å; F32-F34 HydrophobicContact CB-CE1 4.25Å; F34-D61 VanDerWaalsContact CB-OD1 3.31Å; F34-D61 WeakPolarHBondContact CB-OD1 2.91Å; F34-L90 HydrophobicContact CE2-CD1 3.84Å; F34-Y93 HydrophobicContact CD1-CE1 4.43Å; F34-Y93 HydrophobicContact CD2-CD1 4.1Å; F34-Y93 AromaticContact CD2-CE1 3.73Å; F34-Y93 HydrophobicContact CD2-CE1 3.73Å; F34-Y93 HydrophobicContact CE1-CD1 4.48Å; F34-Y93 HydrophobicContact CE1-CE1 4.36Å; F34-Y93 AromaticContact CE2-CD1 3.53Å; F34-Y93 HydrophobicContact CE2-CD1 3.53Å; F34-Y93 AromaticContact CE2-CE1 3.64Å; F34-Y93 HydrophobicContact CE2-CE1 3.64Å; F34-Y93 HydrophobicContact CG-CE1 4.11Å; F34-Y93 AromaticContact CZ-CD1 3.72Å; F34-Y93 HydrophobicContact CZ-CD1 3.72Å; F34-Y93 AromaticContact CZ-CE1 3.94Å; F34-Y93 HydrophobicContact CZ-CE1 3.94Å; F34-I94 HydrophobicContact CE1-CG1 4.43Å; F34-I94 HydrophobicContact CE2-CG1 4.4Å; F34-I94 HydrophobicContact CZ-CG1 3.56Å; F34-K99 HydrophobicContact CD1-CD 3.94Å; F34-K99 HydrophobicContact CD1-CG 4.42Å; F34-K99 HydrophobicContact CE1-CD 3.94Å; F34-K99 HydrophobicContact CE1-CG 3.93Å; F34-K99 HydrophobicContact CZ-CG 4.37Å
35P96.1Very high91.6Very high15 Ų1558.4 Ų58.410%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-64.1139.8-177.3-23.434.9000113.4G18 F19 L37 G60 D61G18-P35 WeakPolarHBondContact O-CA 3.38Å; F19-P35 HydrophobicContact CD1-CG 4.36Å; F19-P35 HydrophobicContact CE1-CG 4.02Å; P35-L37 HydrophobicContact CB-CD2 3.32Å; P35-L37 HydrophobicContact CB-CG 3.85Å; P35-L37 HydrophobicContact CG-CD2 4.17Å; P35-L37 PolarHBondContact O-N 3.39Å; P35-G60 WeakPolarHBondContact O-CA 3.46Å; P35-D61 VanDerWaalsContact CD-OD1 3.31Å; P35-D61 WeakPolarHBondContact CD-OD1 3.43Å
36S96.8Very high90.2Very high0 Ų063.9 Ų63.90%034%0.337CS..  trans-81.764.6177.1-52.50000110.8G16 G18 F19 V20 Y74G16-S36 WeakPolarHBondContact O-CB 3.47Å; G16-S36 PolarHBondContact O-OG 3.13Å; G18-S36 PolarHBondContact O-N 3.11Å; F19-S36 WeakPolarHBondContact CA-OG 3.47Å; F19-S36 PolarHBondContact N-OG 3.45Å; V20-S36 WeakPolarHBondContact CG2-OG 3.46Å; V20-S36 PolarHBondContact N-OG 3.48Å; V20-S36 VanDerWaalsContact N-OG 3.11Å; S36-Y74 WeakPolarHBondContact O-CD1 3.33Å
37L94.9Very high89.2Confident6 Ų664.4 Ų64.43%0.03133%0.334CS..  trans-136.8148.8-173.969.591.7000112.9P35 G60 A63 L72 S73 Y74P35-L37 HydrophobicContact CB-CD2 3.32Å; P35-L37 HydrophobicContact CB-CG 3.85Å; P35-L37 HydrophobicContact CG-CD2 4.17Å; P35-L37 PolarHBondContact O-N 3.39Å; L37-G60 PolarHBondContact O-N 2.98Å; L37-A63 HydrophobicContact CD1-CB 3.15Å; L37-L72 HydrophobicContact CD1-CD2 4.03Å; L37-S73 WeakPolarHBondContact CA-O 3.48Å; L37-Y74 HydrophobicContact CB-CD1 4.06Å; L37-Y74 HydrophobicContact CB-CE1 3.83Å
38I96.6Very high88.4Confident0 Ų071.8 Ų71.80%036%0.355CS..EExtended strand (participates in β ladder)trans-120.2130177-54.9-60.9000107.6L57 V59 L72 S73 D86 H89 L90I38-L57 HydrophobicContact CG2-CD1 3.44Å; I38-L57 VanDerWaalsContact CG2-CD1 3.44Å; I38-L57 HydrophobicContact CG2-CG 4.08Å; I38-V59 HydrophobicContact CD1-CB 4.25Å; I38-V59 HydrophobicContact CD1-CG1 3.77Å; I38-V59 HydrophobicContact CD1-CG2 3.71Å; I38-L72 CarbonylContact O-C 3.53Å; I38-L72 WeakPolarHBondContact O-CA 3.45Å; I38-S73 PolarHBondContact N-O 3.48Å; I38-S73 PolarHBondContact O-N 2.86Å; I38-S73 PolarHBondContact O-OG 2.79Å; I38-S73 VanDerWaalsContact O-OG 3.14Å; I38-D86 HydrophobicContact CG1-CB 3.86Å; I38-H89 HydrophobicContact CD1-CB 4.01Å; I38-L90 HydrophobicContact CD1-CB 4.28Å
39G95.1Very high87.6Confident0 Ų070 Ų700%034%0.344CS..EExtended strand (participates in β ladder)trans-117.5131.8177.800000111.5M58 E71G39-M58 PolarHBondContact N-O 3.28Å; G39-M58 PolarHBondContact O-N 3.47Å; G39-E71 WeakPolarHBondContact CA-O 3.43Å
40R94.5Very high87Confident84 Ų8467.9 Ų67.932%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-114.2132.7175-68173.7173.784.33.7109.2I42 L57 L70 E71 S73 D86R40-I42 PolarHBondContact O-N 3.3Å; R40-L57 HydrophobicContact CG-CD1 3.92Å; R40-L70 CarbonylContact O-C 3.55Å; R40-L70 VanDerWaalsContact O-CA 3.31Å; R40-L70 WeakPolarHBondContact O-CA 3.43Å; R40-E71 PolarHBondContact N-O 3.06Å; R40-E71 PolarHBondContact O-N 3.1Å; R40-S73 PolarHBondContact NH1-OG 2.8Å; R40-S73 VanDerWaalsContact NH1-OG 3.08Å; R40-D86 IonicContact CZ-OD1 3.75Å; R40-D86 VanDerWaalsContact CZ-OD1 3.23Å; R40-D86 IonicContact NH1-OD1 3.4Å; R40-D86 PolarHBondContact NH1-OD1 3.04Å; R40-D86 IonicContact NH1-OD2 3.7Å; R40-D86 IonicContact NH2-OD1 2.76Å; R40-D86 PolarHBondContact NH2-OD1 3.5Å
41P91.8Very high86.2Confident35 Ų3574.5 Ų74.523%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-59130.6-178-24.234.1000113L43 V54 Q55 D56 L70P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 WeakPolarHBondContact CB-O 3.41Å; P41-V54 HydrophobicContact CB-CG1 3.85Å; P41-V54 HydrophobicContact CG-CG1 3.49Å; P41-V54 VanDerWaalsContact CG-CG1 3.49Å; P41-Q55 WeakPolarHBondContact CG-O 3.09Å; P41-D56 WeakPolarHBondContact CD-O 3.4Å; P41-L70 HydrophobicContact CB-CD2 4.38Å; P41-L70 HydrophobicContact CG-CD2 4.11Å
42I88.4Confident85.5Confident110 Ų11070.8 Ų70.856%0.56437%0.37SS*.SBendtrans-69-37174.7-60.1169.8000110R40 M69 E71R40-I42 PolarHBondContact O-N 3.3Å; I42-M69 PolarHBondContact N-O 2.88Å; I42-E71 HydrophobicContact CG1-CB 4.38Å
43L84Confident85Confident135 Ų13574.1 Ų74.171%0.70739%0.387SS*.SBendtrans-112134178.3-61.3175.3000109.3P41 A45P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 WeakPolarHBondContact CB-O 3.41Å; L43-A45 PolarHBondContact O-N 3.37Å; L43-A45 VanDerWaalsContact O-N 3.1Å
44R70.9Confident84.4Confident259 Ų25971.5 Ų71.598%0.97737%0.374SS*.  trans-74.18179.3-64.7-175.4178.6177.9-1.1114.4
45A65.3Low84Confident63 Ų6376.3 Ų76.352%0.52140%0.396SS..SBendtrans-89.7122-179.500000109.8L43 S47L43-A45 PolarHBondContact O-N 3.37Å; L43-A45 VanDerWaalsContact O-N 3.1Å; A45-S47 PolarHBondContact O-N 3.03Å; A45-S47 PolarHBondContact O-OG 3.03Å; A45-S47 VanDerWaalsContact O-OG 3.11Å
46T66Low83.7Confident117 Ų11782.9 Ų82.972%0.71843%0.431SS*.  trans-54.8110171.649.30000109
47S71.3Confident83.5Confident50 Ų5084.9 Ų84.935%0.3544%0.441SS..  trans-118.3131.1178.7-60.10000107.6A45 V54A45-S47 PolarHBondContact O-N 3.03Å; A45-S47 PolarHBondContact O-OG 3.03Å; A45-S47 VanDerWaalsContact O-OG 3.11Å; S47-V54 WeakPolarHBondContact O-CB 3.28Å; S47-V54 VanDerWaalsContact O-CG2 3.23Å; S47-V54 WeakPolarHBondContact O-CG2 3.44Å; S47-V54 PolarHBondContact O-N 3.21Å
48R76.5Confident83.5Confident188 Ų18884.7 Ų84.771%0.70944%0.44SS*.EExtended strand (participates in β ladder)trans-99.8124.8172.4-168.9177.4179.7162.75.1108.3G50 L52R48-G50 PolarHBondContact NE-O 3.24Å; R48-L52 WeakPolarHBondContact CA-O 3.31Å; R48-L52 WeakPolarHBondContact CG-O 3.33Å
49V74.2Confident83.5Confident60 Ų6085.2 Ų85.236%0.36444%0.443SS..EExtended strand (participates in β ladder)trans-118.5105177.3-176.20000107.4N51 L52 L66 M69V49-N51 PolarHBondContact O-N 3.33Å; V49-N51 VanDerWaalsContact O-N 3.15Å; V49-L52 PolarHBondContact N-O 3.27Å; V49-L52 PolarHBondContact O-N 2.68Å; V49-L52 VanDerWaalsContact O-N 3.13Å; V49-L66 HydrophobicContact CB-CD2 3.59Å; V49-L66 HydrophobicContact CG1-CD2 4.03Å; V49-L66 HydrophobicContact CG2-CD2 3.94Å; V49-M69 HydrophobicContact CG2-CE 3.33Å; V49-M69 HydrophobicContact CG2-SD 3.47Å; V49-M69 WeakPolarHBondContact CG2-SD 3.45Å
50G78.9Confident83.6Confident63 Ų6385.2 Ų85.265%0.64944%0.443SS*.THydrogen-bonded Turntrans58.2-117.6-171.900000111.5R48R48-G50 PolarHBondContact NE-O 3.24Å
51N80.5Confident83.5Confident153 Ų15383.6 Ų83.682%0.81844%0.441SS*.THydrogen-bonded Turntrans-90.6-10.1-177.8-68.4-17.6000114V49V49-N51 PolarHBondContact O-N 3.33Å; V49-N51 VanDerWaalsContact O-N 3.15Å
52L82.7Confident83.6Confident30 Ų3083.5 Ų83.516%0.15744%0.437CS..EExtended strand (participates in β ladder)trans-99.5134.1-177.3-64.3178000111.2R48 V49 E62 E65 L66R48-L52 WeakPolarHBondContact CA-O 3.31Å; R48-L52 WeakPolarHBondContact CG-O 3.33Å; V49-L52 PolarHBondContact N-O 3.27Å; V49-L52 PolarHBondContact O-N 2.68Å; V49-L52 VanDerWaalsContact O-N 3.13Å; L52-E62 HydrophobicContact CD1-CB 4.22Å; L52-E62 HydrophobicContact CD1-CG 4.44Å; L52-E62 HydrophobicContact CD2-CG 4.09Å; L52-E65 HydrophobicContact CD1-CB 4.01Å; L52-E65 WeakPolarHBondContact CD1-OE2 3.47Å; L52-L66 HydrophobicContact CB-CD1 3.96Å; L52-L66 HydrophobicContact CB-CD2 4.45Å; L52-L66 HydrophobicContact CB-CG 4.47Å; L52-L66 HydrophobicContact CD1-CD1 4.07Å; L52-L66 HydrophobicContact CD1-CD2 4.47Å; L52-L66 HydrophobicContact CD1-CG 4.03Å
53E85.7Confident83.8Confident118 Ų11878.2 Ų78.255%0.55141%0.41SS*.EExtended strand (participates in β ladder)trans-96.3128.7167-175.2173.3-171.700108.4Q55E53-Q55 PolarHBondContact O-N 3.45Å; E53-Q55 VanDerWaalsContact O-N 3.15Å
54V85.3Confident84.2Confident14 Ų1473 Ų739%0.08539%0.385CS..  trans-67.8111.6176.9176.50000108.7P41 S47 L66 M69 L70P41-V54 HydrophobicContact CB-CG1 3.85Å; P41-V54 HydrophobicContact CG-CG1 3.49Å; P41-V54 VanDerWaalsContact CG-CG1 3.49Å; S47-V54 WeakPolarHBondContact O-CB 3.28Å; S47-V54 VanDerWaalsContact O-CG2 3.23Å; S47-V54 WeakPolarHBondContact O-CG2 3.44Å; S47-V54 PolarHBondContact O-N 3.21Å; V54-L66 HydrophobicContact CG2-CD1 4.01Å; V54-M69 HydrophobicContact CG2-SD 4.36Å; V54-L70 HydrophobicContact CG1-CD2 4.3Å
55Q88.4Confident85Confident102 Ų10267.4 Ų67.448%0.47737%0.37SS..  trans-91.9165.8173.2-54.2-177.4-0.600110.2P41 E53 L57 M58P41-Q55 WeakPolarHBondContact CG-O 3.09Å; E53-Q55 PolarHBondContact O-N 3.45Å; E53-Q55 VanDerWaalsContact O-N 3.15Å; Q55-L57 PolarHBondContact O-N 2.93Å; Q55-M58 HydrophobicContact CB-SD 3.67Å; Q55-M58 HydrophobicContact CG-SD 4Å; Q55-M58 PolarHBondContact N-SD 3.34Å
56D89.4Confident86.1Confident153 Ų15364.8 Ų64.882%0.81835%0.347SS*.SBendtrans-55.8-25.4176.7-68.4-28.9000113.1P41P41-D56 WeakPolarHBondContact CD-O 3.4Å
57L93.4Very high87.2Confident43 Ų4361.4 Ų61.423%0.22532%0.322CS..SBendtrans-141.3123.9176.2-163.479.6000110.2I38 R40 Q55 V59 H89I38-L57 HydrophobicContact CG2-CD1 3.44Å; I38-L57 VanDerWaalsContact CG2-CD1 3.44Å; I38-L57 HydrophobicContact CG2-CG 4.08Å; R40-L57 HydrophobicContact CG-CD1 3.92Å; Q55-L57 PolarHBondContact O-N 2.93Å; L57-V59 HydrophobicContact CD2-CG2 4.18Å; L57-V59 HydrophobicContact CG-CG2 4.36Å; L57-H89 HydrophobicContact CD2-CB 3.57Å; L57-H89 WeakPolarHBondContact CD2-ND1 3.4Å
58M94.8Very high87.8Confident2 Ų267.7 Ų67.71%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-111.1142174.3-56.3-57.3-78.200108.6G39 Q55 E62 A63 L66 L70G39-M58 PolarHBondContact N-O 3.28Å; G39-M58 PolarHBondContact O-N 3.47Å; Q55-M58 HydrophobicContact CB-SD 3.67Å; Q55-M58 HydrophobicContact CG-SD 4Å; Q55-M58 PolarHBondContact N-SD 3.34Å; M58-E62 HydrophobicContact CE-CB 3.65Å; M58-A63 HydrophobicContact CB-CB 3.66Å; M58-A63 WeakPolarHBondContact O-CB 3.38Å; M58-L66 HydrophobicContact CE-CD1 3.49Å; M58-L66 VanDerWaalsContact CE-CD1 3.49Å; M58-L70 HydrophobicContact CB-CD1 3.74Å; M58-L70 HydrophobicContact CG-CD1 3.89Å; M58-L70 HydrophobicContact CG-CD2 4Å
59V96.8Very high88.3Confident10 Ų1062.5 Ų62.56%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-133.7142.7-176.1-176.60000110.4I38 L57 D61 L90 Y93I38-V59 HydrophobicContact CD1-CB 4.25Å; I38-V59 HydrophobicContact CD1-CG1 3.77Å; I38-V59 HydrophobicContact CD1-CG2 3.71Å; L57-V59 HydrophobicContact CD2-CG2 4.18Å; L57-V59 HydrophobicContact CG-CG2 4.36Å; V59-D61 PolarHBondContact O-N 2.75Å; V59-L90 HydrophobicContact CG1-CD1 3.7Å; V59-Y93 HydrophobicContact CB-CD1 4.33Å; V59-Y93 HydrophobicContact CB-CD2 3.76Å; V59-Y93 HydrophobicContact CB-CE2 4.29Å; V59-Y93 HydrophobicContact CB-CG 3.78Å; V59-Y93 VanDerWaalsContact CG1-CB 3.48Å; V59-Y93 HydrophobicContact CG1-CD1 3.73Å; V59-Y93 HydrophobicContact CG1-CD2 4.04Å; V59-Y93 HydrophobicContact CG1-CE1 4.41Å; V59-Y93 HydrophobicContact CG1-CG 3.51Å; V59-Y93 WeakPolarHBondContact O-CE2 3.47Å
60G96.1Very high89.1Confident0 Ų060 Ų600%032%0.315CS..THydrogen-bonded Turntrans62.6-126.8172.200000113.4P35 L37 E62 A63 S64P35-G60 WeakPolarHBondContact O-CA 3.46Å; L37-G60 PolarHBondContact O-N 2.98Å; G60-E62 VanDerWaalsContact C-N 3.31Å; G60-E62 PolarHBondContact O-N 3.09Å; G60-A63 PolarHBondContact O-N 2.77Å; G60-S64 PolarHBondContact O-N 2.87Å
61D93.8Very high89.7Confident50 Ų5063.8 Ų63.827%0.26732%0.315SS..Hα-helixtrans-59.9-41.6-174.4-60-43.1000112F34 P35 V59 A63 S64 E65 K99F34-D61 VanDerWaalsContact CB-OD1 3.31Å; F34-D61 WeakPolarHBondContact CB-OD1 2.91Å; P35-D61 VanDerWaalsContact CD-OD1 3.31Å; P35-D61 WeakPolarHBondContact CD-OD1 3.43Å; V59-D61 PolarHBondContact O-N 2.75Å; D61-A63 VanDerWaalsContact C-N 3.34Å; D61-A63 PolarHBondContact O-N 3.08Å; D61-S64 WeakPolarHBondContact O-CA 3.43Å; D61-S64 WeakPolarHBondContact O-CB 3.41Å; D61-S64 PolarHBondContact O-N 3.15Å; D61-S64 VanDerWaalsContact O-N 3.09Å; D61-E65 WeakPolarHBondContact O-CG 3.39Å; D61-E65 PolarHBondContact O-N 2.73Å; D61-K99 IonicContact OD2-NZ 2.64Å; D61-K99 PolarHBondContact OD2-NZ 3.04Å
62E93.1Very high90.3Very high33 Ų3358.7 Ų58.715%0.15429%0.288CS..Hα-helixtrans-66.3-38.6-178.1-58.6176.2142.600111.6L52 M58 G60 S64 L66 K98L52-E62 HydrophobicContact CD1-CB 4.22Å; L52-E62 HydrophobicContact CD1-CG 4.44Å; L52-E62 HydrophobicContact CD2-CG 4.09Å; M58-E62 HydrophobicContact CE-CB 3.65Å; G60-E62 VanDerWaalsContact C-N 3.31Å; G60-E62 PolarHBondContact O-N 3.09Å; E62-S64 VanDerWaalsContact C-N 3.33Å; E62-L66 WeakPolarHBondContact O-CB 3.47Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 2.87Å; E62-L66 VanDerWaalsContact O-N 3.11Å; E62-K98 WeakPolarHBondContact OE1-CE 3.32Å; E62-K98 IonicContact OE1-NZ 2.93Å; E62-K98 PolarHBondContact OE1-NZ 2.83Å; E62-K98 IonicContact OE2-NZ 3.6Å; E62-K98 PolarHBondContact OE2-NZ 3.14Å
63A93.5Very high90.8Very high0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-72.1-29174.200000112.4L37 M58 G60 D61 R67 L70 L72L37-A63 HydrophobicContact CD1-CB 3.15Å; M58-A63 HydrophobicContact CB-CB 3.66Å; M58-A63 WeakPolarHBondContact O-CB 3.38Å; G60-A63 PolarHBondContact O-N 2.77Å; D61-A63 VanDerWaalsContact C-N 3.34Å; D61-A63 PolarHBondContact O-N 3.08Å; A63-R67 WeakPolarHBondContact O-CA 3.4Å; A63-R67 PolarHBondContact O-N 3.12Å; A63-R67 VanDerWaalsContact O-N 3.11Å; A63-L70 HydrophobicContact CB-CD1 3.96Å; A63-L72 HydrophobicContact CB-CD2 4.49Å
64S91.1Very high91.3Very high26 Ų2656.4 Ų56.418%0.18228%0.277CS..Hα-helixtrans-69.1-43.3173.5-172.80000111.7G60 D61 E62 L66 R67G60-S64 PolarHBondContact O-N 2.87Å; D61-S64 WeakPolarHBondContact O-CA 3.43Å; D61-S64 WeakPolarHBondContact O-CB 3.41Å; D61-S64 PolarHBondContact O-N 3.15Å; D61-S64 VanDerWaalsContact O-N 3.09Å; E62-S64 VanDerWaalsContact C-N 3.33Å; S64-L66 VanDerWaalsContact C-N 3.34Å; S64-R67 WeakPolarHBondContact O-CB 3.44Å; S64-R67 PolarHBondContact O-N 3.12Å
65E88.6Confident91.8Very high141 Ų14155.7 Ų55.766%0.65927%0.273SS*.Hα-helixtrans-63.9-38.8177-74.4-176.7-163.200111.9L52 D61L52-E65 HydrophobicContact CD1-CB 4.01Å; L52-E65 WeakPolarHBondContact CD1-OE2 3.47Å; D61-E65 WeakPolarHBondContact O-CG 3.39Å; D61-E65 PolarHBondContact O-N 2.73Å
66L89.1Confident92.1Very high8 Ų851 Ų514%0.04225%0.251CS..THydrogen-bonded Turntrans-97.415.2-177.3-60.6175000113.9V49 L52 V54 M58 E62 S64 Q68 M69 L70V49-L66 HydrophobicContact CB-CD2 3.59Å; V49-L66 HydrophobicContact CG1-CD2 4.03Å; V49-L66 HydrophobicContact CG2-CD2 3.94Å; L52-L66 HydrophobicContact CB-CD1 3.96Å; L52-L66 HydrophobicContact CB-CD2 4.45Å; L52-L66 HydrophobicContact CB-CG 4.47Å; L52-L66 HydrophobicContact CD1-CD1 4.07Å; L52-L66 HydrophobicContact CD1-CD2 4.47Å; L52-L66 HydrophobicContact CD1-CG 4.03Å; V54-L66 HydrophobicContact CG2-CD1 4.01Å; M58-L66 HydrophobicContact CE-CD1 3.49Å; M58-L66 VanDerWaalsContact CE-CD1 3.49Å; E62-L66 WeakPolarHBondContact O-CB 3.47Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 2.87Å; E62-L66 VanDerWaalsContact O-N 3.11Å; S64-L66 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 2.81Å; L66-M69 PolarHBondContact O-N 2.98Å; L66-L70 HydrophobicContact CB-CD1 3.73Å; L66-L70 HydrophobicContact CB-CG 4.22Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å
67R87.9Confident92.2Very high46 Ų4648.3 Ų48.317%0.17423%0.233CC..THydrogen-bonded Turntrans-50.3-27.9-172.367.9-177.5-63.6132.7-5.2115.7A63 S64 M69 L72 T209 E213A63-R67 WeakPolarHBondContact O-CA 3.4Å; A63-R67 PolarHBondContact O-N 3.12Å; A63-R67 VanDerWaalsContact O-N 3.11Å; S64-R67 WeakPolarHBondContact O-CB 3.44Å; S64-R67 PolarHBondContact O-N 3.12Å; R67-M69 VanDerWaalsContact C-N 3.26Å; R67-M69 PolarHBondContact O-N 2.79Å; R67-L72 HydrophobicContact CB-CD1 3.85Å; R67-T209 PolarHBondContact NH2-O 3.13Å; R67-E213 VanDerWaalsContact NH1-CB 3.32Å
68Q84.6Confident92Very high181 Ų18148 Ų4885%0.84623%0.232SC*.THydrogen-bonded Turntrans-73.3-19.2-179.1-65.8-177.9-10.700113.1L66L66-Q68 PolarHBondContact O-N 2.81Å
69M87.3Confident91.7Very high80 Ų8048.3 Ų48.339%0.39424%0.236SC..SBendtrans-105.5-2.5-178.4-58.3-172.1179.500112.9I42 V49 V54 L66 R67I42-M69 PolarHBondContact N-O 2.88Å; V49-M69 HydrophobicContact CG2-CE 3.33Å; V49-M69 HydrophobicContact CG2-SD 3.47Å; V49-M69 WeakPolarHBondContact CG2-SD 3.45Å; V54-M69 HydrophobicContact CG2-SD 4.36Å; L66-M69 PolarHBondContact O-N 2.98Å; R67-M69 VanDerWaalsContact C-N 3.26Å; R67-M69 PolarHBondContact O-N 2.79Å
70L90.5Very high91.5Very high7 Ų748.8 Ų48.84%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-121.6137.5-168.5-57.7174.1000110.6R40 P41 V54 M58 A63 L66 L72R40-L70 CarbonylContact O-C 3.55Å; R40-L70 VanDerWaalsContact O-CA 3.31Å; R40-L70 WeakPolarHBondContact O-CA 3.43Å; P41-L70 HydrophobicContact CB-CD2 4.38Å; P41-L70 HydrophobicContact CG-CD2 4.11Å; V54-L70 HydrophobicContact CG1-CD2 4.3Å; M58-L70 HydrophobicContact CB-CD1 3.74Å; M58-L70 HydrophobicContact CG-CD1 3.89Å; M58-L70 HydrophobicContact CG-CD2 4Å; A63-L70 HydrophobicContact CB-CD1 3.96Å; L66-L70 HydrophobicContact CB-CD1 3.73Å; L66-L70 HydrophobicContact CB-CG 4.22Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L70-L72 HydrophobicContact CB-CD2 3.79Å; L70-L72 HydrophobicContact CD1-CD2 4.39Å; L70-L72 PolarHBondContact O-N 2.98Å
71E91.7Very high91.4Very high143 Ų14349.5 Ų49.567%0.66824%0.242SC*.EExtended strand (participates in β ladder)trans-75.5113.1159.8-173.4175.6-17100108.2G39 R40 I42G39-E71 WeakPolarHBondContact CA-O 3.43Å; R40-E71 PolarHBondContact N-O 3.06Å; R40-E71 PolarHBondContact O-N 3.1Å; I42-E71 HydrophobicContact CG1-CB 4.38Å
72L92.3Very high91.5Very high45 Ų4554.4 Ų54.424%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-92.3137.8-175.7-61-171.5000111.9L37 I38 A63 R67 L70L37-L72 HydrophobicContact CD1-CD2 4.03Å; I38-L72 CarbonylContact O-C 3.53Å; I38-L72 WeakPolarHBondContact O-CA 3.45Å; A63-L72 HydrophobicContact CB-CD2 4.49Å; R67-L72 HydrophobicContact CB-CD1 3.85Å; L70-L72 HydrophobicContact CB-CD2 3.79Å; L70-L72 HydrophobicContact CD1-CD2 4.39Å; L70-L72 PolarHBondContact O-N 2.98Å
73S94.2Very high91.6Very high27 Ų2755.4 Ų55.419%0.18926%0.263CS..EExtended strand (participates in β ladder)trans-130.8153175.752.10000110.3L37 I38 R40 D86L37-S73 WeakPolarHBondContact CA-O 3.48Å; I38-S73 PolarHBondContact N-O 3.48Å; I38-S73 PolarHBondContact O-N 2.86Å; I38-S73 PolarHBondContact O-OG 2.79Å; I38-S73 VanDerWaalsContact O-OG 3.14Å; R40-S73 PolarHBondContact NH1-OG 2.8Å; R40-S73 VanDerWaalsContact NH1-OG 3.08Å; S73-D86 PolarHBondContact OG-OD2 3.23Å
74Y94.7Very high91.8Very high73 Ų7357.5 Ų57.529%0.28627%0.271SS..  trans-123.3114.2-178.4-62.4-89.5000108.6S36 L37 L76S36-Y74 WeakPolarHBondContact O-CD1 3.33Å; L37-Y74 HydrophobicContact CB-CD1 4.06Å; L37-Y74 HydrophobicContact CB-CE1 3.83Å; Y74-L76 PolarHBondContact O-N 3.16Å
75P96.2Very high92Very high0 Ų061.6 Ų61.60%029%0.291CS..SBendtrans-66.8-24.5-178.218-24.9000113V81 R82 N83 D86 M87 L90P75-V81 WeakPolarHBondContact O-CA 3.41Å; P75-R82 PolarHBondContact O-N 3.21Å; P75-N83 PolarHBondContact O-N 3.47Å; P75-D86 HydrophobicContact CB-CB 3.74Å; P75-D86 HydrophobicContact CG-CB 4.29Å; P75-M87 HydrophobicContact CB-CB 4Å; P75-M87 HydrophobicContact CB-SD 4.09Å; P75-M87 HydrophobicContact CG-SD 4.25Å; P75-L90 HydrophobicContact CG-CD2 3.92Å
76L94.5Very high92.5Very high4 Ų455 Ų552%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-108.4138.2177.7-59.7107000111.1N15 T17 Y74 I80 V81 M87 L90N15-L76 HydrophobicContact CB-CD2 4.26Å; N15-L76 WeakPolarHBondContact O-CD2 3.29Å; T17-L76 HydrophobicContact CG2-CB 4.45Å; Y74-L76 PolarHBondContact O-N 3.16Å; L76-I80 WeakPolarHBondContact CA-O 3.41Å; L76-V81 HydrophobicContact CD2-CG2 4.01Å; L76-V81 HydrophobicContact CG-CG2 4.21Å; L76-M87 HydrophobicContact CD1-CE 4.34Å; L76-M87 HydrophobicContact CD1-SD 3.79Å; L76-M87 HydrophobicContact CG-SD 4.25Å; L76-L90 HydrophobicContact CD1-CD2 4.3Å
77E92Very high92.9Very high95 Ų9554.7 Ų54.744%0.44426%0.258SS..EExtended strand (participates in β ladder)trans-129.7122.9172-168.3-163.7-175.900108.9G79 I80 R82E77-G79 PolarHBondContact O-N 3.1Å; E77-I80 PolarHBondContact N-O 3.48Å; E77-I80 PolarHBondContact O-N 3.26Å; E77-R82 HydrophobicContact CB-CG 3.59Å; E77-R82 IonicContact OE2-CZ 2.79Å; E77-R82 IonicContact OE2-NE 3.58Å; E77-R82 PolarHBondContact OE2-NE 2.84Å; E77-R82 IonicContact OE2-NH2 3.48Å
78N89.9Confident93.3Very high37 Ų3753.9 Ų53.920%0.19826%0.257CS..THydrogen-bonded Turntrans5043.1178.6-50.9-34.6000113.7I80 G164 V165N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 3.12Å; N78-G164 PolarHBondContact OD1-O 2.97Å; N78-V165 HydrophobicContact CB-CB 4.28Å
79G88.1Confident93.9Very high9 Ų948.3 Ų48.39%0.09323%0.231CC..THydrogen-bonded Turntrans86-14.2-17900000115.3T17 E77 P114T17-G79 VanDerWaalsContact OG1-CA 3.29Å; T17-G79 WeakPolarHBondContact OG1-CA 3.18Å; T17-G79 PolarHBondContact OG1-N 3.3Å; E77-G79 PolarHBondContact O-N 3.1Å; G79-P114 WeakPolarHBondContact O-CG 3.5Å
80I91.8Very high94.4Very high20 Ų2044.5 Ų44.510%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-104.6132.4-170.5-60.8178.5000109.7L76 E77 N78 R82 N121L76-I80 WeakPolarHBondContact CA-O 3.41Å; E77-I80 PolarHBondContact N-O 3.48Å; E77-I80 PolarHBondContact O-N 3.26Å; N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 3.12Å; I80-R82 PolarHBondContact O-N 3.4Å; I80-N121 WeakPolarHBondContact CG2-ND2 3.39Å
81V94.7Very high94.8Very high15 Ų1544.2 Ų44.29%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-66.8124.3172.2-176.60000109.5P75 L76 W84 M87 N121P75-V81 WeakPolarHBondContact O-CA 3.41Å; L76-V81 HydrophobicContact CD2-CG2 4.01Å; L76-V81 HydrophobicContact CG-CG2 4.21Å; V81-W84 HydrophobicContact CB-CH2 4.45Å; V81-W84 HydrophobicContact CB-CZ2 4.02Å; V81-W84 HydrophobicContact CG1-CD2 3.81Å; V81-W84 HydrophobicContact CG1-CE3 4.17Å; V81-W84 HydrophobicContact CG1-CG 4.22Å; V81-W84 HydrophobicContact CG1-CH2 4.38Å; V81-W84 HydrophobicContact CG1-CZ2 4.03Å; V81-W84 HydrophobicContact CG1-CZ3 4.46Å; V81-W84 HydrophobicContact CG2-CH2 4.39Å; V81-W84 HydrophobicContact CG2-CZ2 4.41Å; V81-M87 HydrophobicContact CG1-CB 3.86Å; V81-M87 HydrophobicContact CG1-CG 3.99Å; V81-M87 HydrophobicContact CG2-CG 4.26Å; V81-M87 HydrophobicContact CG2-SD 4.16Å; V81-N121 PolarHBondContact O-ND2 2.86Å; V81-N121 VanDerWaalsContact O-ND2 3.15Å
82R94.9Very high95Very high152 Ų15240.3 Ų40.357%0.57420%0.195SC*.  trans-108.1-35178.9-65.6-58.2-161.8-1710.5112.9P75 E77 I80P75-R82 PolarHBondContact O-N 3.21Å; E77-R82 HydrophobicContact CB-CG 3.59Å; E77-R82 IonicContact OE2-CZ 2.79Å; E77-R82 IonicContact OE2-NE 3.58Å; E77-R82 PolarHBondContact OE2-NE 2.84Å; E77-R82 IonicContact OE2-NH2 3.48Å; I80-R82 PolarHBondContact O-N 3.4Å
83N96.4Very high95.3Very high55 Ų5539.2 Ų39.229%0.29419%0.188SC..  trans-122.2108.1177.7-174.2-12.3000109.6P75 D85 D86 M87P75-N83 PolarHBondContact O-N 3.47Å; N83-D85 WeakPolarHBondContact OD1-CB 3.26Å; N83-D85 PolarHBondContact OD1-N 3.45Å; N83-D86 HydrophobicContact CB-CB 4.04Å; N83-D86 PolarHBondContact ND2-OD2 2.88Å; N83-D86 PolarHBondContact OD1-N 3.21Å; N83-M87 WeakPolarHBondContact O-CB 3.35Å; N83-M87 PolarHBondContact O-N 3.3Å
84W96.5Very high95.4Very high44 Ų4438 Ų3817%0.16718%0.179CC..Hα-helixtrans-74.1-28.2-179.4-79.9101.2000113.3V81 M87 I88 N121 K124 M125 V128V81-W84 HydrophobicContact CB-CH2 4.45Å; V81-W84 HydrophobicContact CB-CZ2 4.02Å; V81-W84 HydrophobicContact CG1-CD2 3.81Å; V81-W84 HydrophobicContact CG1-CE3 4.17Å; V81-W84 HydrophobicContact CG1-CG 4.22Å; V81-W84 HydrophobicContact CG1-CH2 4.38Å; V81-W84 HydrophobicContact CG1-CZ2 4.03Å; V81-W84 HydrophobicContact CG1-CZ3 4.46Å; V81-W84 HydrophobicContact CG2-CH2 4.39Å; V81-W84 HydrophobicContact CG2-CZ2 4.41Å; W84-M87 HydrophobicContact CE3-CB 4.32Å; W84-M87 HydrophobicContact CE3-CG 4.39Å; W84-M87 HydrophobicContact CZ3-CG 4.4Å; W84-M87 PolarHBondContact O-N 3.01Å; W84-I88 VanDerWaalsContact O-CB 3.31Å; W84-I88 WeakPolarHBondContact O-CB 3.33Å; W84-I88 VanDerWaalsContact O-CG1 3.27Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.5Å; W84-N121 HydrophobicContact CZ2-CB 4.4Å; W84-K124 HydrophobicContact CD2-CB 4.32Å; W84-K124 HydrophobicContact CD2-CG 3.43Å; W84-K124 VanDerWaalsContact CD2-CG 3.43Å; W84-K124 HydrophobicContact CE3-CG 3.77Å; W84-K124 HydrophobicContact CG-CG 3.98Å; W84-K124 HydrophobicContact CH2-CB 3.9Å; W84-K124 HydrophobicContact CH2-CG 3.88Å; W84-K124 HydrophobicContact CZ2-CB 3.5Å; W84-K124 VanDerWaalsContact CZ2-CB 3.5Å; W84-K124 HydrophobicContact CZ2-CG 3.58Å; W84-K124 HydrophobicContact CZ3-CB 4.46Å; W84-K124 HydrophobicContact CZ3-CG 3.98Å; W84-M125 HydrophobicContact CH2-CB 4.36Å; W84-M125 HydrophobicContact CH2-CG 3.63Å; W84-M125 HydrophobicContact CZ3-CG 4.46Å; W84-V128 HydrophobicContact CE3-CG2 4.15Å; W84-V128 HydrophobicContact CZ3-CG2 4.18Å
85D97.2Very high95.6Very high111 Ų11134.8 Ų34.859%0.59417%0.166SC*.Hα-helixtrans-68.4-45.7177-60.4-31.8000110.1N83 M87 I88 H89N83-D85 WeakPolarHBondContact OD1-CB 3.26Å; N83-D85 PolarHBondContact OD1-N 3.45Å; D85-M87 VanDerWaalsContact C-N 3.33Å; D85-M87 PolarHBondContact O-N 3.35Å; D85-I88 WeakPolarHBondContact O-CB 3.28Å; D85-I88 PolarHBondContact O-N 3.49Å; D85-H89 PolarHBondContact O-CD2 3.3Å; D85-H89 PolarHBondContact O-N 3.22Å; D85-H89 VanDerWaalsContact O-N 3.13Å
86D97.6Very high95.6Very high4 Ų435.6 Ų35.62%0.02118%0.175CC..Hα-helixtrans-64-38.2172.6-77.6-17.7000112.1I38 R40 S73 P75 N83 I88 H89 L90I38-D86 HydrophobicContact CG1-CB 3.86Å; R40-D86 IonicContact CZ-OD1 3.75Å; R40-D86 VanDerWaalsContact CZ-OD1 3.23Å; R40-D86 IonicContact NH1-OD1 3.4Å; R40-D86 PolarHBondContact NH1-OD1 3.04Å; R40-D86 IonicContact NH1-OD2 3.7Å; R40-D86 IonicContact NH2-OD1 2.76Å; R40-D86 PolarHBondContact NH2-OD1 3.5Å; S73-D86 PolarHBondContact OG-OD2 3.23Å; P75-D86 HydrophobicContact CB-CB 3.74Å; P75-D86 HydrophobicContact CG-CB 4.29Å; N83-D86 HydrophobicContact CB-CB 4.04Å; N83-D86 PolarHBondContact ND2-OD2 2.88Å; N83-D86 PolarHBondContact OD1-N 3.21Å; D86-I88 VanDerWaalsContact C-N 3.31Å; D86-I88 PolarHBondContact O-N 2.9Å; D86-H89 PolarHBondContact O-N 3.46Å; D86-L90 PolarHBondContact O-N 2.76Å
87M97.3Very high95.7Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-65.5-37.8178-168.766-165.700111.6N15 P75 L76 V81 N83 W84 D85 L90 Y91N15-M87 HydrophobicContact CB-CE 4.08Å; P75-M87 HydrophobicContact CB-CB 4Å; P75-M87 HydrophobicContact CB-SD 4.09Å; P75-M87 HydrophobicContact CG-SD 4.25Å; L76-M87 HydrophobicContact CD1-CE 4.34Å; L76-M87 HydrophobicContact CD1-SD 3.79Å; L76-M87 HydrophobicContact CG-SD 4.25Å; V81-M87 HydrophobicContact CG1-CB 3.86Å; V81-M87 HydrophobicContact CG1-CG 3.99Å; V81-M87 HydrophobicContact CG2-CG 4.26Å; V81-M87 HydrophobicContact CG2-SD 4.16Å; N83-M87 WeakPolarHBondContact O-CB 3.35Å; N83-M87 PolarHBondContact O-N 3.3Å; W84-M87 HydrophobicContact CE3-CB 4.32Å; W84-M87 HydrophobicContact CE3-CG 4.39Å; W84-M87 HydrophobicContact CZ3-CG 4.4Å; W84-M87 PolarHBondContact O-N 3.01Å; D85-M87 VanDerWaalsContact C-N 3.33Å; D85-M87 PolarHBondContact O-N 3.35Å; M87-L90 HydrophobicContact CE-CD2 4.31Å; M87-L90 WeakPolarHBondContact O-CB 3.37Å; M87-L90 PolarHBondContact O-N 3.03Å; M87-L90 HydrophobicContact SD-CD2 4.02Å; M87-Y91 HydrophobicContact CE-CD1 4.42Å; M87-Y91 HydrophobicContact CE-CD2 4.38Å; M87-Y91 HydrophobicContact CE-CE1 3.69Å; M87-Y91 HydrophobicContact CE-CE2 3.68Å; M87-Y91 VanDerWaalsContact CE-OH 3.26Å; M87-Y91 WeakPolarHBondContact CE-OH 3.43Å; M87-Y91 HydrophobicContact CG-CD2 4.08Å; M87-Y91 HydrophobicContact CG-CE2 3.69Å; M87-Y91 WeakPolarHBondContact O-CD2 3.49Å; M87-Y91 PolarHBondContact O-N 2.95Å
88I97.7Very high95.8Very high29 Ų2940.4 Ų40.415%0.14921%0.205CC..Hα-helixtrans-61.6-45.7174.1-85.1170.8000110.7W84 D85 D86 L90 Y91 D92 V128 K132 Y133W84-I88 VanDerWaalsContact O-CB 3.31Å; W84-I88 WeakPolarHBondContact O-CB 3.33Å; W84-I88 VanDerWaalsContact O-CG1 3.27Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.5Å; D85-I88 WeakPolarHBondContact O-CB 3.28Å; D85-I88 PolarHBondContact O-N 3.49Å; D86-I88 VanDerWaalsContact C-N 3.31Å; D86-I88 PolarHBondContact O-N 2.9Å; I88-L90 VanDerWaalsContact C-N 3.26Å; I88-L90 PolarHBondContact O-N 3.26Å; I88-Y91 PolarHBondContact O-N 2.94Å; I88-Y91 VanDerWaalsContact O-N 3.13Å; I88-D92 VanDerWaalsContact O-CG 3.26Å; I88-D92 PolarHBondContact O-N 3.37Å; I88-V128 HydrophobicContact CG1-CG1 4.29Å; I88-K132 HydrophobicContact CD1-CD 4.13Å; I88-K132 HydrophobicContact CG1-CD 4.17Å; I88-K132 HydrophobicContact CG2-CD 4.03Å; I88-Y133 PolarHBondContact O-OH 2.8Å
89H97.4Very high96.1Very high65 Ų6540 Ų4030%0.30120%0.201SC..Hα-helixtrans-62.5-36.1175.1-68.4-52000112.5I38 L57 D85 D86 D92 Y93I38-H89 HydrophobicContact CD1-CB 4.01Å; L57-H89 HydrophobicContact CD2-CB 3.57Å; L57-H89 WeakPolarHBondContact CD2-ND1 3.4Å; D85-H89 PolarHBondContact O-CD2 3.3Å; D85-H89 PolarHBondContact O-N 3.22Å; D85-H89 VanDerWaalsContact O-N 3.13Å; D86-H89 PolarHBondContact O-N 3.46Å; H89-D92 PolarHBondContact O-N 3.04Å; H89-Y93 PolarHBondContact O-N 2.62Å
90L97.5Very high96.5Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-63-42.8172.9-16964000111.5V20 F34 I38 V59 P75 L76 D86 M87 I88 Y93 I94V20-L90 HydrophobicContact CG2-CD1 4.24Å; V20-L90 HydrophobicContact CG2-CD2 3.76Å; V20-L90 HydrophobicContact CG2-CG 4.14Å; F34-L90 HydrophobicContact CE2-CD1 3.84Å; I38-L90 HydrophobicContact CD1-CB 4.28Å; V59-L90 HydrophobicContact CG1-CD1 3.7Å; P75-L90 HydrophobicContact CG-CD2 3.92Å; L76-L90 HydrophobicContact CD1-CD2 4.3Å; D86-L90 PolarHBondContact O-N 2.76Å; M87-L90 HydrophobicContact CE-CD2 4.31Å; M87-L90 WeakPolarHBondContact O-CB 3.37Å; M87-L90 PolarHBondContact O-N 3.03Å; M87-L90 HydrophobicContact SD-CD2 4.02Å; I88-L90 VanDerWaalsContact C-N 3.26Å; I88-L90 PolarHBondContact O-N 3.26Å; L90-Y93 WeakPolarHBondContact O-CB 3.39Å; L90-Y93 PolarHBondContact O-N 3.24Å; L90-I94 HydrophobicContact CG-CD1 4.29Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.3Å; L90-I94 PolarHBondContact O-N 3.19Å
91Y97.9Very high96.7Very high1 Ų144 Ų440%0.00422%0.221CC..Hα-helixtrans-66.3-40.1175-76.4-45.6000113.2N15 M87 I88 Y93 I94 F95 V128 M129 Y133N15-Y91 PolarHBondContact ND2-OH 2.93Å; N15-Y91 VanDerWaalsContact ND2-OH 3.14Å; M87-Y91 HydrophobicContact CE-CD1 4.42Å; M87-Y91 HydrophobicContact CE-CD2 4.38Å; M87-Y91 HydrophobicContact CE-CE1 3.69Å; M87-Y91 HydrophobicContact CE-CE2 3.68Å; M87-Y91 VanDerWaalsContact CE-OH 3.26Å; M87-Y91 WeakPolarHBondContact CE-OH 3.43Å; M87-Y91 HydrophobicContact CG-CD2 4.08Å; M87-Y91 HydrophobicContact CG-CE2 3.69Å; M87-Y91 WeakPolarHBondContact O-CD2 3.49Å; M87-Y91 PolarHBondContact O-N 2.95Å; I88-Y91 PolarHBondContact O-N 2.94Å; I88-Y91 VanDerWaalsContact O-N 3.13Å; Y91-Y93 PolarHBondContact O-N 2.95Å; Y91-I94 HydrophobicContact CD1-CD1 3.6Å; Y91-I94 HydrophobicContact CE1-CD1 4.09Å; Y91-I94 PolarHBondContact O-N 3.13Å; Y91-I94 VanDerWaalsContact O-N 3.12Å; Y91-F95 AromaticContact CD1-CE2 3.93Å; Y91-F95 HydrophobicContact CD1-CE2 3.93Å; Y91-F95 AromaticContact CD1-CZ 3.83Å; Y91-F95 HydrophobicContact CD1-CZ 3.83Å; Y91-F95 HydrophobicContact CE1-CZ 4.48Å; Y91-F95 HydrophobicContact CG-CE2 4.08Å; Y91-F95 HydrophobicContact CG-CZ 4.44Å; Y91-F95 VanDerWaalsContact O-CD2 3.24Å; Y91-F95 WeakPolarHBondContact O-CD2 3.49Å; Y91-F95 WeakPolarHBondContact O-CG 3.36Å; Y91-F95 PolarHBondContact O-N 3.11Å; Y91-V128 HydrophobicContact CD2-CG1 4.32Å; Y91-M129 HydrophobicContact CD1-CE 3.85Å; Y91-M129 HydrophobicContact CD2-CE 3.71Å; Y91-M129 HydrophobicContact CE1-CE 3.54Å; Y91-M129 HydrophobicContact CE2-CE 3.34Å; Y91-M129 HydrophobicContact CG-CE 3.96Å; Y91-Y133 WeakPolarHBondContact CB-OH 3.3Å; Y91-Y133 HydrophobicContact CD2-CE2 4.2Å; Y91-Y133 HydrophobicContact CG-CE2 4.22Å
92D97.3Very high96.7Very high61 Ų6144.3 Ų44.333%0.32622%0.222SC..Hα-helixtrans-57.9-39.3173.5-66-20.8000110.4I88 H89 G96 K132 Y133I88-D92 VanDerWaalsContact O-CG 3.26Å; I88-D92 PolarHBondContact O-N 3.37Å; H89-D92 PolarHBondContact O-N 3.04Å; D92-G96 WeakPolarHBondContact O-CA 3.29Å; D92-G96 PolarHBondContact O-N 2.88Å; D92-K132 IonicContact OD1-NZ 3.23Å; D92-K132 IonicContact OD2-NZ 3.7Å; D92-Y133 PolarHBondContact N-OH 3.38Å; D92-Y133 WeakPolarHBondContact OD1-CE1 3.27Å; D92-Y133 VanDerWaalsContact OD1-CZ 3.31Å; D92-Y133 PolarHBondContact OD1-OH 2.84Å
93Y97.1Very high96.7Very high22 Ų2240.9 Ų40.99%0.08622%0.215CC..Hα-helixtrans-69.7-39.6173.9-175.3-101.2000113.5F34 V59 H89 L90 Y91 K98 K99F34-Y93 HydrophobicContact CD1-CE1 4.43Å; F34-Y93 HydrophobicContact CD2-CD1 4.1Å; F34-Y93 AromaticContact CD2-CE1 3.73Å; F34-Y93 HydrophobicContact CD2-CE1 3.73Å; F34-Y93 HydrophobicContact CE1-CD1 4.48Å; F34-Y93 HydrophobicContact CE1-CE1 4.36Å; F34-Y93 AromaticContact CE2-CD1 3.53Å; F34-Y93 HydrophobicContact CE2-CD1 3.53Å; F34-Y93 AromaticContact CE2-CE1 3.64Å; F34-Y93 HydrophobicContact CE2-CE1 3.64Å; F34-Y93 HydrophobicContact CG-CE1 4.11Å; F34-Y93 AromaticContact CZ-CD1 3.72Å; F34-Y93 HydrophobicContact CZ-CD1 3.72Å; F34-Y93 AromaticContact CZ-CE1 3.94Å; F34-Y93 HydrophobicContact CZ-CE1 3.94Å; V59-Y93 HydrophobicContact CB-CD1 4.33Å; V59-Y93 HydrophobicContact CB-CD2 3.76Å; V59-Y93 HydrophobicContact CB-CE2 4.29Å; V59-Y93 HydrophobicContact CB-CG 3.78Å; V59-Y93 VanDerWaalsContact CG1-CB 3.48Å; V59-Y93 HydrophobicContact CG1-CD1 3.73Å; V59-Y93 HydrophobicContact CG1-CD2 4.04Å; V59-Y93 HydrophobicContact CG1-CE1 4.41Å; V59-Y93 HydrophobicContact CG1-CG 3.51Å; V59-Y93 WeakPolarHBondContact O-CE2 3.47Å; H89-Y93 PolarHBondContact O-N 2.62Å; L90-Y93 WeakPolarHBondContact O-CB 3.39Å; L90-Y93 PolarHBondContact O-N 3.24Å; Y91-Y93 PolarHBondContact O-N 2.95Å; Y93-K98 HydrophobicContact CD2-CB 4.47Å; Y93-K98 HydrophobicContact CD2-CD 4.18Å; Y93-K98 HydrophobicContact CE2-CB 4.1Å; Y93-K98 HydrophobicContact CE2-CD 3.73Å; Y93-K99 HydrophobicContact CD1-CG 3.97Å; Y93-K99 HydrophobicContact CE1-CD 4.08Å; Y93-K99 HydrophobicContact CE1-CG 3.78Å; Y93-K99 WeakPolarHBondContact O-CB 3.19Å; Y93-K99 WeakPolarHBondContact O-CG 3.32Å; Y93-K99 WeakPolarHBondContact OH-CE 2.94Å; Y93-K99 PolarHBondContact OH-NZ 3.05Å
94I97.6Very high96.7Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-61.2-52.1176.1-68.3158.4000110.8V20 C22 F34 L90 Y91 K99 M100V20-I94 HydrophobicContact CG1-CD1 3.85Å; V20-I94 HydrophobicContact CG1-CG1 4.05Å; V20-I94 HydrophobicContact CG2-CD1 4.37Å; C22-I94 HydrophobicContact CB-CG2 4.24Å; F34-I94 HydrophobicContact CE1-CG1 4.43Å; F34-I94 HydrophobicContact CE2-CG1 4.4Å; F34-I94 HydrophobicContact CZ-CG1 3.56Å; L90-I94 HydrophobicContact CG-CD1 4.29Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.3Å; L90-I94 PolarHBondContact O-N 3.19Å; Y91-I94 HydrophobicContact CD1-CD1 3.6Å; Y91-I94 HydrophobicContact CE1-CD1 4.09Å; Y91-I94 PolarHBondContact O-N 3.13Å; Y91-I94 VanDerWaalsContact O-N 3.12Å; I94-K99 WeakPolarHBondContact O-CB 3.4Å; I94-M100 HydrophobicContact CG2-CG 4.19Å; I94-M100 WeakPolarHBondContact O-CB 3.34Å; I94-M100 VanDerWaalsContact O-CG 3.22Å; I94-M100 WeakPolarHBondContact O-CG 3.32Å; I94-M100 PolarHBondContact O-N 2.81Å
95F97.6Very high96.6Very high7 Ų742.9 Ų42.93%0.03122%0.224CC..Hα-helixtrans-83.9-23-172.4-53.2-40.5000112.9Y91 N101 I102 P104 I109 M129 Y133 F135Y91-F95 AromaticContact CD1-CE2 3.93Å; Y91-F95 HydrophobicContact CD1-CE2 3.93Å; Y91-F95 AromaticContact CD1-CZ 3.83Å; Y91-F95 HydrophobicContact CD1-CZ 3.83Å; Y91-F95 HydrophobicContact CE1-CZ 4.48Å; Y91-F95 HydrophobicContact CG-CE2 4.08Å; Y91-F95 HydrophobicContact CG-CZ 4.44Å; Y91-F95 VanDerWaalsContact O-CD2 3.24Å; Y91-F95 WeakPolarHBondContact O-CD2 3.49Å; Y91-F95 WeakPolarHBondContact O-CG 3.36Å; Y91-F95 PolarHBondContact O-N 3.11Å; F95-N101 PolarHBondContact O-N 2.95Å; F95-I102 HydrophobicContact CB-CD1 4.38Å; F95-I102 HydrophobicContact CB-CG1 4.08Å; F95-I102 HydrophobicContact CD1-CD1 3.81Å; F95-I102 HydrophobicContact CD1-CG1 4.41Å; F95-I102 HydrophobicContact CG-CD1 4.38Å; F95-I102 PolarHBondContact O-N 3.45Å; F95-I102 VanDerWaalsContact O-N 3.09Å; F95-P104 HydrophobicContact CB-CG 4.41Å; F95-I109 HydrophobicContact CE1-CD1 3.59Å; F95-I109 HydrophobicContact CZ-CD1 3.5Å; F95-M129 HydrophobicContact CE2-CE 4.37Å; F95-M129 HydrophobicContact CE2-SD 4.35Å; F95-M129 HydrophobicContact CZ-CE 4.28Å; F95-M129 HydrophobicContact CZ-SD 4.21Å; F95-Y133 AromaticContact CD2-CD1 3.73Å; F95-Y133 HydrophobicContact CD2-CD1 3.73Å; F95-Y133 HydrophobicContact CD2-CD2 4.46Å; F95-Y133 AromaticContact CD2-CE1 3.76Å; F95-Y133 HydrophobicContact CD2-CE1 3.76Å; F95-Y133 HydrophobicContact CD2-CE2 4.48Å; F95-Y133 HydrophobicContact CD2-CG 4.12Å; F95-Y133 HydrophobicContact CE2-CD1 4.12Å; F95-Y133 HydrophobicContact CE2-CD2 4.03Å; F95-Y133 HydrophobicContact CE2-CE1 4.21Å; F95-Y133 HydrophobicContact CE2-CE2 4.1Å; F95-Y133 HydrophobicContact CE2-CG 4.05Å; F95-F135 HydrophobicContact CD1-CZ 4.02Å; F95-F135 HydrophobicContact CD2-CE2 4.2Å; F95-F135 HydrophobicContact CD2-CZ 4.21Å; F95-F135 HydrophobicContact CE1-CE2 4.24Å; F95-F135 AromaticContact CE1-CZ 3.68Å; F95-F135 HydrophobicContact CE1-CZ 3.68Å; F95-F135 AromaticContact CE2-CE2 3.63Å; F95-F135 HydrophobicContact CE2-CE2 3.63Å; F95-F135 AromaticContact CE2-CZ 3.87Å; F95-F135 HydrophobicContact CE2-CZ 3.87Å; F95-F135 HydrophobicContact CG-CZ 4.3Å; F95-F135 AromaticContact CZ-CE2 3.67Å; F95-F135 HydrophobicContact CZ-CE2 3.67Å; F95-F135 AromaticContact CZ-CZ 3.6Å; F95-F135 HydrophobicContact CZ-CZ 3.6Å
96G96.8Very high96.4Very high17 Ų1743.6 Ų43.618%0.17522%0.223CC..SBendtrans-69.6-179.6-178.600000115.1D92 K98 K99 N101D92-G96 WeakPolarHBondContact O-CA 3.29Å; D92-G96 PolarHBondContact O-N 2.88Å; G96-K98 PolarHBondContact O-N 2.93Å; G96-K98 VanDerWaalsContact O-N 3.16Å; G96-K99 PolarHBondContact O-N 2.98Å; G96-N101 WeakPolarHBondContact O-CA 3.46Å; G96-N101 PolarHBondContact O-N 3.17Å
97P95.9Very high96.3Very high109 Ų10943.4 Ų43.471%0.70822%0.222SC*.THydrogen-bonded Turntrans-67-19.7-169.225.6-35.4000114.6K99P97-K99 VanDerWaalsContact C-N 3.32Å
98K94.5Very high96.2Very high90 Ų9043.8 Ų43.839%0.39122%0.224SC..THydrogen-bonded Turntrans-76.3-19.8-179.6-62.9-172.3-173.4-172.10113.2E62 Y93 G96E62-K98 WeakPolarHBondContact OE1-CE 3.32Å; E62-K98 IonicContact OE1-NZ 2.93Å; E62-K98 PolarHBondContact OE1-NZ 2.83Å; E62-K98 IonicContact OE2-NZ 3.6Å; E62-K98 PolarHBondContact OE2-NZ 3.14Å; Y93-K98 HydrophobicContact CD2-CB 4.47Å; Y93-K98 HydrophobicContact CD2-CD 4.18Å; Y93-K98 HydrophobicContact CE2-CB 4.1Å; Y93-K98 HydrophobicContact CE2-CD 3.73Å; G96-K98 PolarHBondContact O-N 2.93Å; G96-K98 VanDerWaalsContact O-N 3.16Å
99K96.2Very high96.2Very high28 Ų2842.4 Ų42.412%0.12222%0.217CC..THydrogen-bonded Turntrans-127.7-105-178.2-59.4-62.9173.2-1680110.1F32 F34 D61 Y93 I94 G96 P97 N101F32-K99 HydrophobicContact CB-CD 4.12Å; F32-K99 HydrophobicContact CD1-CB 4.46Å; F32-K99 HydrophobicContact CD1-CD 3.64Å; F32-K99 HydrophobicContact CD2-CB 4.28Å; F32-K99 HydrophobicContact CE1-CD 4.26Å; F32-K99 VanDerWaalsContact CE2-C 3.46Å; F32-K99 HydrophobicContact CE2-CB 4.49Å; F32-K99 WeakPolarHBondContact CE2-O 3.27Å; F32-K99 HydrophobicContact CG-CB 4.26Å; F32-K99 HydrophobicContact CG-CD 3.91Å; F32-K99 WeakPolarHBondContact CZ-O 3.39Å; F34-K99 HydrophobicContact CD1-CD 3.94Å; F34-K99 HydrophobicContact CD1-CG 4.42Å; F34-K99 HydrophobicContact CE1-CD 3.94Å; F34-K99 HydrophobicContact CE1-CG 3.93Å; F34-K99 HydrophobicContact CZ-CG 4.37Å; D61-K99 IonicContact OD2-NZ 2.64Å; D61-K99 PolarHBondContact OD2-NZ 3.04Å; Y93-K99 HydrophobicContact CD1-CG 3.97Å; Y93-K99 HydrophobicContact CE1-CD 4.08Å; Y93-K99 HydrophobicContact CE1-CG 3.78Å; Y93-K99 WeakPolarHBondContact O-CB 3.19Å; Y93-K99 WeakPolarHBondContact O-CG 3.32Å; Y93-K99 WeakPolarHBondContact OH-CE 2.94Å; Y93-K99 PolarHBondContact OH-NZ 3.05Å; I94-K99 WeakPolarHBondContact O-CB 3.4Å; G96-K99 PolarHBondContact O-N 2.98Å; P97-K99 VanDerWaalsContact C-N 3.32Å; K99-N101 VanDerWaalsContact C-N 3.31Å; K99-N101 PolarHBondContact O-N 2.99Å
100M95.9Very high96.2Very high6 Ų639.3 Ų39.33%0.0320%0.202CC..THydrogen-bonded Turntrans-69.6-27.9-169.9-64.2-63.6-64.900113.5V11 C22 G23 Y24 F32 I94 I102V11-M100 HydrophobicContact CG1-CE 4.16Å; V11-M100 HydrophobicContact CG2-CE 4.31Å; C22-M100 HydrophobicContact CB-SD 4.3Å; G23-M100 WeakPolarHBondContact O-CE 3.22Å; Y24-M100 HydrophobicContact CD1-CE 4Å; Y24-M100 HydrophobicContact CD2-CE 3.86Å; Y24-M100 HydrophobicContact CE1-CE 3.59Å; Y24-M100 HydrophobicContact CE2-CE 3.43Å; Y24-M100 VanDerWaalsContact CE2-CE 3.43Å; Y24-M100 HydrophobicContact CE2-SD 4.5Å; Y24-M100 HydrophobicContact CG-CE 4.13Å; Y24-M100 PolarHBondContact OH-O 3.18Å; Y24-M100 VanDerWaalsContact OH-O 3.13Å; F32-M100 HydrophobicContact CD2-CG 4.42Å; F32-M100 HydrophobicContact CD2-SD 3.59Å; F32-M100 VanDerWaalsContact CD2-SD 3.59Å; F32-M100 HydrophobicContact CE2-SD 3.73Å; I94-M100 HydrophobicContact CG2-CG 4.19Å; I94-M100 WeakPolarHBondContact O-CB 3.34Å; I94-M100 VanDerWaalsContact O-CG 3.22Å; I94-M100 WeakPolarHBondContact O-CG 3.32Å; I94-M100 PolarHBondContact O-N 2.81Å; M100-I102 HydrophobicContact CB-CD1 4.42Å; M100-I102 HydrophobicContact CB-CG1 4.27Å; M100-I102 HydrophobicContact CB-CG2 4.09Å; M100-I102 WeakPolarHBondContact O-CG2 3.48Å
101N96.4Very high96.2Very high109 Ų10939.3 Ų39.358%0.58320%0.202SC*.  trans47.262.6-177.2-167.928.9000112.6F95 G96 K99F95-N101 PolarHBondContact O-N 2.95Å; G96-N101 WeakPolarHBondContact O-CA 3.46Å; G96-N101 PolarHBondContact O-N 3.17Å; K99-N101 VanDerWaalsContact C-N 3.31Å; K99-N101 PolarHBondContact O-N 2.99Å
102I95.2Very high96Very high20 Ų2039.4 Ų39.410%0.10320%0.203CC..  trans-121155.7-177.361.2174.9000111.1K9 V11 Y24 F95 M100 P104 F135K9-I102 HydrophobicContact CD-CG2 4.03Å; V11-I102 HydrophobicContact CG2-CD1 3.56Å; Y24-I102 HydrophobicContact CE1-CG2 4.29Å; Y24-I102 WeakPolarHBondContact OH-CG2 3.29Å; F95-I102 HydrophobicContact CB-CD1 4.38Å; F95-I102 HydrophobicContact CB-CG1 4.08Å; F95-I102 HydrophobicContact CD1-CD1 3.81Å; F95-I102 HydrophobicContact CD1-CG1 4.41Å; F95-I102 HydrophobicContact CG-CD1 4.38Å; F95-I102 PolarHBondContact O-N 3.45Å; F95-I102 VanDerWaalsContact O-N 3.09Å; M100-I102 HydrophobicContact CB-CD1 4.42Å; M100-I102 HydrophobicContact CB-CG1 4.27Å; M100-I102 HydrophobicContact CB-CG2 4.09Å; M100-I102 WeakPolarHBondContact O-CG2 3.48Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å; I102-F135 HydrophobicContact CD1-CE1 4.33Å; I102-F135 HydrophobicContact CD1-CZ 4.4Å
103D95.5Very high95.7Very high80 Ų8036.7 Ų36.743%0.42819%0.189SC..  trans-93.1109.9157.8-176.3-8.9000108.2K105 H106D103-K105 PolarHBondContact O-N 2.92Å; D103-K105 VanDerWaalsContact O-N 3.14Å; D103-K105 WeakPolarHBondContact OD1-CB 3.39Å; D103-K105 PolarHBondContact OD1-N 2.91Å; D103-H106 PolarHBondContact O-N 3.49Å; D103-H106 VanDerWaalsContact O-N 3.08Å; D103-H106 IonicContact OD2-CD2 2.98Å; D103-H106 PolarHBondContact OD2-CD2 3.41Å
104P95.4Very high95.3Very high16 Ų1636.1 Ų36.110%0.10419%0.188CC..G310 helixtrans-53.4-31.2178.1-29.337.8000114F95 I102 H106 A107 Y133 F135F95-P104 HydrophobicContact CB-CG 4.41Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-H106 PolarHBondContact O-N 3.03Å; P104-H106 VanDerWaalsContact O-N 3.16Å; P104-A107 PolarHBondContact O-N 2.81Å; P104-Y133 WeakPolarHBondContact CB-O 3.22Å; P104-Y133 HydrophobicContact CG-CD1 4.37Å; P104-F135 HydrophobicContact CB-CD1 3.93Å; P104-F135 HydrophobicContact CB-CD2 3.93Å; P104-F135 HydrophobicContact CB-CE1 3.78Å; P104-F135 HydrophobicContact CB-CE2 3.77Å; P104-F135 HydrophobicContact CB-CG 4.01Å; P104-F135 HydrophobicContact CB-CZ 3.69Å; P104-F135 HydrophobicContact CG-CE1 4.48Å; P104-F135 HydrophobicContact CG-CE2 4.25Å; P104-F135 HydrophobicContact CG-CZ 4.06Å; P104-F135 WeakPolarHBondContact O-CA 3.44Å
105K94.1Very high94.6Very high125 Ų12536.7 Ų36.754%0.54319%0.191SC..G310 helixtrans-62.7-23.9-179.8-62.6177.1-176.7175.10113.3D103 G134D103-K105 PolarHBondContact O-N 2.92Å; D103-K105 VanDerWaalsContact O-N 3.14Å; D103-K105 WeakPolarHBondContact OD1-CB 3.39Å; D103-K105 PolarHBondContact OD1-N 2.91Å; K105-G134 WeakPolarHBondContact CA-O 3.48Å
106H93.9Very high94Very high126 Ų12641.2 Ų41.258%0.58322%0.215SC*.G310 helixtrans-110.829.7177.1-60.9-62.4000111.8N8 K9 D103 P104N8-H106 WeakPolarHBondContact CA-O 3.48Å; K9-H106 PolarHBondContact N-O 3.33Å; D103-H106 PolarHBondContact O-N 3.49Å; D103-H106 VanDerWaalsContact O-N 3.08Å; D103-H106 IonicContact OD2-CD2 2.98Å; D103-H106 PolarHBondContact OD2-CD2 3.41Å; P104-H106 PolarHBondContact O-N 3.03Å; P104-H106 VanDerWaalsContact O-N 3.16Å
107A95.7Very high93.5Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-138.6155.3179.600000112.6K9 V11 P104 F135 N136K9-A107 HydrophobicContact CB-CB 4.45Å; K9-A107 CarbonylContact O-C 3.53Å; K9-A107 VanDerWaalsContact O-CA 3.23Å; K9-A107 WeakPolarHBondContact O-CA 3.3Å; V11-A107 HydrophobicContact CG2-CB 4.45Å; P104-A107 PolarHBondContact O-N 2.81Å; A107-F135 HydrophobicContact CB-CD1 4.14Å; A107-F135 HydrophobicContact CB-CE1 4Å; A107-N136 WeakPolarHBondContact O-CB 3.35Å; A107-N136 PolarHBondContact O-N 3.03Å
108K95.7Very high93.2Very high8 Ų838.7 Ų38.74%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-105.2150.6163.2-62.7-179.6165.6158.20109D4 N8 K9 I10 V11 A137 K368 W375D4-K108 WeakPolarHBondContact OD2-CE 3.36Å; D4-K108 IonicContact OD2-NZ 2.96Å; D4-K108 PolarHBondContact OD2-NZ 2.83Å; N8-K108 HydrophobicContact CB-CG 4.43Å; K9-K108 PolarHBondContact O-N 3.34Å; I10-K108 HydrophobicContact CG1-CB 4.48Å; V11-K108 PolarHBondContact N-O 2.85Å; K108-A137 CarbonylContact C-O 3.59Å; K108-A137 VanDerWaalsContact CA-O 3.31Å; K108-A137 WeakPolarHBondContact CA-O 3.31Å; K108-A137 HydrophobicContact CB-CB 4.48Å; K108-A137 HydrophobicContact CD-CB 4.22Å; K108-A137 HydrophobicContact CG-CB 3.88Å; K108-K368 PolarHBondContact NZ-O 3.18Å; K108-W375 HydrophobicContact CB-CE3 4.2Å; K108-W375 HydrophobicContact CB-CH2 4.22Å; K108-W375 HydrophobicContact CB-CZ3 3.86Å; K108-W375 HydrophobicContact CD-CD2 4.35Å; K108-W375 HydrophobicContact CD-CE3 4.44Å
109I97.3Very high93Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-132.6127.2179-172167.3000112.8V11 C13 F95 L111 M129 F135 A137 L138 F139 W375V11-I109 HydrophobicContact CB-CB 4.41Å; V11-I109 HydrophobicContact CB-CG1 4.23Å; V11-I109 HydrophobicContact CG1-CD1 4.25Å; V11-I109 HydrophobicContact CG1-CG1 4.18Å; V11-I109 CarbonylContact O-C 3.57Å; V11-I109 WeakPolarHBondContact O-CA 3.37Å; C13-I109 HydrophobicContact CB-CD1 4.44Å; F95-I109 HydrophobicContact CE1-CD1 3.59Å; F95-I109 HydrophobicContact CZ-CD1 3.5Å; I109-L111 HydrophobicContact CD1-CD2 3.5Å; I109-L111 VanDerWaalsContact CD1-CD2 3.5Å; I109-L111 HydrophobicContact CD1-CG 4.19Å; I109-L111 HydrophobicContact CG1-CD2 3.76Å; I109-L111 HydrophobicContact CG1-CG 4.11Å; I109-M129 HydrophobicContact CD1-SD 4.12Å; I109-M129 HydrophobicContact CG2-SD 4.3Å; I109-F135 HydrophobicContact CB-CD1 3.82Å; I109-F135 HydrophobicContact CB-CE1 3.69Å; I109-F135 HydrophobicContact CB-CG 4.31Å; I109-F135 HydrophobicContact CB-CZ 4.07Å; I109-F135 HydrophobicContact CD1-CE1 4.18Å; I109-F135 HydrophobicContact CD1-CE2 4.06Å; I109-F135 HydrophobicContact CD1-CZ 3.71Å; I109-F135 HydrophobicContact CG1-CE1 4.49Å; I109-F135 HydrophobicContact CG1-CZ 4.49Å; I109-F135 HydrophobicContact CG2-CB 4.17Å; I109-F135 HydrophobicContact CG2-CD1 3.63Å; I109-F135 HydrophobicContact CG2-CD2 3.85Å; I109-F135 HydrophobicContact CG2-CE1 3.91Å; I109-F135 HydrophobicContact CG2-CE2 4.11Å; I109-F135 HydrophobicContact CG2-CG 3.6Å; I109-F135 HydrophobicContact CG2-CZ 4.14Å; I109-A137 PolarHBondContact N-O 3.5Å; I109-L138 HydrophobicContact CG2-CB 4.44Å; I109-L138 HydrophobicContact CG2-CD1 3.76Å; I109-L138 CarbonylContact O-C 3.59Å; I109-L138 WeakPolarHBondContact O-CA 3.43Å; I109-F139 PolarHBondContact O-N 3.02Å; I109-W375 WeakPolarHBondContact O-CZ3 3.18Å
110L96.6Very high92.9Very high0 Ų047.3 Ų47.30%023%0.231CC..EExtended strand (participates in β ladder)trans-95.2119164.4-173153.9000108.6V11 V12 C13 T112 F139 A141 L146 L363 A364 W375V11-L110 PolarHBondContact O-N 3.34Å; V12-L110 WeakPolarHBondContact CA-O 3.24Å; V12-L110 HydrophobicContact CG1-CD2 4.18Å; V12-L110 HydrophobicContact CG2-CB 4.33Å; C13-L110 PolarHBondContact N-O 3.43Å; L110-T112 HydrophobicContact CD2-CG2 4.37Å; L110-F139 CarbonylContact C-O 3.55Å; L110-F139 WeakPolarHBondContact CA-O 3.47Å; L110-F139 HydrophobicContact CD1-CD1 3.66Å; L110-F139 HydrophobicContact CD1-CE1 4.32Å; L110-F139 HydrophobicContact CG-CD1 3.92Å; L110-A141 HydrophobicContact CD2-CB 4.22Å; L110-L146 HydrophobicContact CD2-CD1 4.26Å; L110-L363 HydrophobicContact CD1-CD2 4.37Å; L110-A364 HydrophobicContact CB-CB 4.33Å; L110-A364 HydrophobicContact CD1-CB 3.96Å; L110-W375 HydrophobicContact CB-CH2 4.22Å
111L96.7Very high92.7Very high0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-103.4147.8171.9-63.4-178.5000110.5C13 I109 M125 M129 L138 F139 I140 A141C13-L111 HydrophobicContact CB-CD2 3.74Å; I109-L111 HydrophobicContact CD1-CD2 3.5Å; I109-L111 VanDerWaalsContact CD1-CD2 3.5Å; I109-L111 HydrophobicContact CD1-CG 4.19Å; I109-L111 HydrophobicContact CG1-CD2 3.76Å; I109-L111 HydrophobicContact CG1-CG 4.11Å; L111-M125 HydrophobicContact CB-CE 3.61Å; L111-M125 HydrophobicContact CD1-CE 3.5Å; L111-M125 VanDerWaalsContact CD1-CE 3.5Å; L111-M125 HydrophobicContact CG-CE 4.17Å; L111-M129 HydrophobicContact CD1-CE 3.73Å; L111-M129 HydrophobicContact CD1-CG 3.77Å; L111-M129 HydrophobicContact CD1-SD 3.96Å; L111-L138 HydrophobicContact CB-CD1 4.36Å; L111-L138 HydrophobicContact CD1-CD1 3.77Å; L111-L138 HydrophobicContact CG-CD1 3.83Å; L111-F139 PolarHBondContact N-O 3.46Å; L111-I140 WeakPolarHBondContact O-CA 3.33Å; L111-A141 PolarHBondContact O-N 2.87Å
112T94.4Very high92.6Very high3 Ų345.2 Ų45.22%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-98.4151.6170.774.80000110.2C13 D14 N15 L110 A141 L146 V356C13-T112 PolarHBondContact O-N 3.33Å; D14-T112 VanDerWaalsContact CA-OG1 3.31Å; D14-T112 WeakPolarHBondContact CA-OG1 3.42Å; D14-T112 HydrophobicContact CB-CG2 4Å; D14-T112 PolarHBondContact OD1-OG1 2.87Å; N15-T112 PolarHBondContact N-OG1 3.43Å; L110-T112 HydrophobicContact CD2-CG2 4.37Å; T112-A141 CarbonylContact C-O 3.46Å; T112-A141 WeakPolarHBondContact CA-O 3.32Å; T112-L146 HydrophobicContact CG2-CD1 3.79Å; T112-V356 HydrophobicContact CG2-CG1 3.7Å
113E91.1Very high92.6Very high5 Ų547.1 Ų47.12%0.02323%0.225CC..EExtended strand (participates in β ladder)trans-135.4148168.367.6-177.5167.600110.7N117 R122 I140 A141 Q143E113-N117 HydrophobicContact CB-CB 4.2Å; E113-N117 HydrophobicContact CG-CB 4.44Å; E113-N117 PolarHBondContact OE2-ND2 2.83Å; E113-R122 VanDerWaalsContact CD-NE 3.33Å; E113-R122 IonicContact OE1-CZ 3.1Å; E113-R122 IonicContact OE1-NE 3.02Å; E113-R122 PolarHBondContact OE1-NE 2.97Å; E113-R122 IonicContact OE1-NH2 3.92Å; E113-R122 PolarHBondContact OE1-NH2 2.87Å; E113-R122 IonicContact OE2-CZ 3.52Å; E113-R122 IonicContact OE2-NE 2.96Å; E113-R122 PolarHBondContact OE2-NE 3.05Å; E113-R122 IonicContact OE2-NH2 3.92Å; E113-R122 PolarHBondContact OE2-NH2 3.03Å; E113-I140 HydrophobicContact CB-CG2 4.16Å; E113-I140 VanDerWaalsContact CD-CG2 3.41Å; E113-I140 HydrophobicContact CG-CG2 3.8Å; E113-A141 PolarHBondContact N-O 3.27Å; E113-Q143 VanDerWaalsContact O-CG 3.3Å; E113-Q143 WeakPolarHBondContact O-CG 3.24Å; E113-Q143 PolarHBondContact O-N 3.26Å
114P88.7Confident92.6Very high10 Ų1046.2 Ų46.27%0.06522%0.217CC..  trans-67.5159.4175.532.3-38.6000111G79 N117G79-P114 WeakPolarHBondContact O-CG 3.5Å; P114-N117 HydrophobicContact CG-CB 4.24Å; P114-N117 WeakPolarHBondContact O-CB 3.25Å; P114-N117 PolarHBondContact O-N 2.94Å
115P83.6Confident92.6Very high11 Ų1145.9 Ų45.97%0.07121%0.214CC..THydrogen-bonded Turntrans-53.7144.4166.2-21.633000111.1N117 I142 H167 C169 T181P115-N117 PolarHBondContact O-N 3.45Å; P115-I142 HydrophobicContact CG-CG2 4.43Å; P115-H167 HydrophobicContact CG-CB 4.02Å; P115-C169 HydrophobicContact CG-CB 4.33Å; P115-T181 HydrophobicContact CB-CG2 3.58Å; P115-T181 HydrophobicContact CG-CG2 4.43Å
116L83.4Confident92.7Very high103 Ų10340 Ų4054%0.53919%0.188SC..THydrogen-bonded Turntrans60.826.1179.1-48.8174.4000114.7P178 T181L116-P178 HydrophobicContact CD2-CB 4.39Å; L116-T181 HydrophobicContact CD1-CG2 4.2Å; L116-T181 HydrophobicContact CG-CG2 4.18Å
117N88Confident92.8Very high17 Ų1736.6 Ų36.69%0.09117%0.173CC..  trans-58128.7171.3-172.931.4000110.6E113 P114 P115 L119 N121E113-N117 HydrophobicContact CB-CB 4.2Å; E113-N117 HydrophobicContact CG-CB 4.44Å; E113-N117 PolarHBondContact OE2-ND2 2.83Å; P114-N117 HydrophobicContact CG-CB 4.24Å; P114-N117 WeakPolarHBondContact O-CB 3.25Å; P114-N117 PolarHBondContact O-N 2.94Å; P115-N117 PolarHBondContact O-N 3.45Å; N117-L119 PolarHBondContact O-N 3.25Å; N117-N121 WeakPolarHBondContact OD1-CB 3.47Å
118P89.5Confident92.9Very high55 Ų5536.9 Ų36.936%0.35717%0.174SC..  trans-57.1137.5177.7-26.535000112R120 N121 R122P118-R120 PolarHBondContact O-N 2.54Å; P118-N121 HydrophobicContact CB-CB 4.49Å; P118-N121 WeakPolarHBondContact O-CA 3.21Å; P118-N121 WeakPolarHBondContact O-CB 3.34Å; P118-N121 PolarHBondContact O-N 2.7Å; P118-R122 PolarHBondContact O-N 2.76Å
119L90.6Very high93Very high98 Ų9836.5 Ų36.551%0.51317%0.173SC..Hα-helixtrans-53.6-42179.6179.562000111.9N117 N121 R122 E123N117-L119 PolarHBondContact O-N 3.25Å; L119-N121 PolarHBondContact O-N 2.98Å; L119-R122 WeakPolarHBondContact O-CA 3.49Å; L119-R122 WeakPolarHBondContact O-CB 3.2Å; L119-R122 PolarHBondContact O-N 2.97Å; L119-E123 HydrophobicContact CD1-CG 4.46Å; L119-E123 HydrophobicContact CG-CG 4.36Å; L119-E123 WeakPolarHBondContact O-CG 3.42Å; L119-E123 PolarHBondContact O-N 2.84Å
120R92.7Very high93Very high202 Ų20236.7 Ų36.776%0.76217%0.173SC*.Hα-helixtrans-56.9-35.8176.3-174.1178.2179-175.60.1113.2P118 K124P118-R120 PolarHBondContact O-N 2.54Å; R120-K124 WeakPolarHBondContact O-CB 3.21Å; R120-K124 PolarHBondContact O-N 2.69Å
121N93.1Very high93.1Very high21 Ų2142.4 Ų42.411%0.11220%0.2CC..Hα-helixtrans-71.6-41.3176.4-83.816.4000110.9I80 V81 W84 N117 P118 L119 K124 M125I80-N121 WeakPolarHBondContact CG2-ND2 3.39Å; V81-N121 PolarHBondContact O-ND2 2.86Å; V81-N121 VanDerWaalsContact O-ND2 3.15Å; W84-N121 HydrophobicContact CZ2-CB 4.4Å; N117-N121 WeakPolarHBondContact OD1-CB 3.47Å; P118-N121 HydrophobicContact CB-CB 4.49Å; P118-N121 WeakPolarHBondContact O-CA 3.21Å; P118-N121 WeakPolarHBondContact O-CB 3.34Å; P118-N121 PolarHBondContact O-N 2.7Å; L119-N121 PolarHBondContact O-N 2.98Å; N121-K124 PolarHBondContact O-N 3.01Å; N121-M125 WeakPolarHBondContact O-CG 3.43Å; N121-M125 PolarHBondContact O-N 2.88Å
122R93.9Very high93.1Very high50 Ų5047.4 Ų47.419%0.18922%0.222CC..Hα-helixtrans-60.4-45.7174-173.5-179.6-64160.94.6111.5E113 P118 L119 K124 M125 V126 I140 L389E113-R122 VanDerWaalsContact CD-NE 3.33Å; E113-R122 IonicContact OE1-CZ 3.1Å; E113-R122 IonicContact OE1-NE 3.02Å; E113-R122 PolarHBondContact OE1-NE 2.97Å; E113-R122 IonicContact OE1-NH2 3.92Å; E113-R122 PolarHBondContact OE1-NH2 2.87Å; E113-R122 IonicContact OE2-CZ 3.52Å; E113-R122 IonicContact OE2-NE 2.96Å; E113-R122 PolarHBondContact OE2-NE 3.05Å; E113-R122 IonicContact OE2-NH2 3.92Å; E113-R122 PolarHBondContact OE2-NH2 3.03Å; P118-R122 PolarHBondContact O-N 2.76Å; L119-R122 WeakPolarHBondContact O-CA 3.49Å; L119-R122 WeakPolarHBondContact O-CB 3.2Å; L119-R122 PolarHBondContact O-N 2.97Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 3.25Å; R122-M125 WeakPolarHBondContact O-CB 3.33Å; R122-M125 PolarHBondContact O-N 3.06Å; R122-V126 WeakPolarHBondContact O-CG2 3.48Å; R122-V126 PolarHBondContact O-N 2.71Å; R122-I140 HydrophobicContact CG-CD1 3.74Å; R122-L389 HydrophobicContact CG-CD1 4.5Å; R122-L389 HydrophobicContact CG-CD2 4.22Å
123E95.1Very high93.2Very high60 Ų6048.3 Ų48.328%0.2823%0.225SC..Hα-helixtrans-55.7-48.1173.9-73.9171.1168.100111.4L119 M125 V126 E127 L386 L389L119-E123 HydrophobicContact CD1-CG 4.46Å; L119-E123 HydrophobicContact CG-CG 4.36Å; L119-E123 WeakPolarHBondContact O-CG 3.42Å; L119-E123 PolarHBondContact O-N 2.84Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.09Å; E123-V126 WeakPolarHBondContact O-CB 3.4Å; E123-V126 PolarHBondContact O-N 3.02Å; E123-V126 VanDerWaalsContact O-N 3.14Å; E123-E127 PolarHBondContact O-N 3.14Å; E123-L386 HydrophobicContact CB-CD1 4.04Å; E123-L386 HydrophobicContact CB-CD2 3.9Å; E123-L386 HydrophobicContact CG-CD1 4.22Å; E123-L386 HydrophobicContact CG-CD2 4.21Å; E123-L386 WeakPolarHBondContact O-CD2 3.42Å; E123-L389 HydrophobicContact CB-CD1 4.4Å; E123-L389 HydrophobicContact CG-CD1 3.62Å
124K95.6Very high93.5Very high61 Ų6148.3 Ų48.327%0.26523%0.226SC..Hα-helixtrans-66.7-33.3179-16959170.4-1770113.1W84 R120 N121 R122 E127 V128W84-K124 HydrophobicContact CD2-CB 4.32Å; W84-K124 HydrophobicContact CD2-CG 3.43Å; W84-K124 VanDerWaalsContact CD2-CG 3.43Å; W84-K124 HydrophobicContact CE3-CG 3.77Å; W84-K124 HydrophobicContact CG-CG 3.98Å; W84-K124 HydrophobicContact CH2-CB 3.9Å; W84-K124 HydrophobicContact CH2-CG 3.88Å; W84-K124 HydrophobicContact CZ2-CB 3.5Å; W84-K124 VanDerWaalsContact CZ2-CB 3.5Å; W84-K124 HydrophobicContact CZ2-CG 3.58Å; W84-K124 HydrophobicContact CZ3-CB 4.46Å; W84-K124 HydrophobicContact CZ3-CG 3.98Å; R120-K124 WeakPolarHBondContact O-CB 3.21Å; R120-K124 PolarHBondContact O-N 2.69Å; N121-K124 PolarHBondContact O-N 3.01Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 3.25Å; K124-E127 HydrophobicContact CD-CB 4.47Å; K124-E127 WeakPolarHBondContact CD-OE2 3.16Å; K124-E127 VanDerWaalsContact NZ-CD 3.27Å; K124-E127 IonicContact NZ-OE1 3.82Å; K124-E127 PolarHBondContact NZ-OE1 3.22Å; K124-E127 IonicContact NZ-OE2 3.71Å; K124-E127 PolarHBondContact NZ-OE2 3.08Å; K124-V128 HydrophobicContact CD-CG2 4.26Å; K124-V128 HydrophobicContact CG-CG2 4.35Å; K124-V128 WeakPolarHBondContact O-CB 3.46Å; K124-V128 WeakPolarHBondContact O-CG2 3.36Å; K124-V128 PolarHBondContact O-N 2.99Å
125M95.1Very high93.9Very high9 Ų947.8 Ų47.84%0.04422%0.223CC..Hα-helixtrans-59-48170.2-68.5173.565.200110.6W84 L111 N121 R122 E123 V128 M129 I140W84-M125 HydrophobicContact CH2-CB 4.36Å; W84-M125 HydrophobicContact CH2-CG 3.63Å; W84-M125 HydrophobicContact CZ3-CG 4.46Å; L111-M125 HydrophobicContact CB-CE 3.61Å; L111-M125 HydrophobicContact CD1-CE 3.5Å; L111-M125 VanDerWaalsContact CD1-CE 3.5Å; L111-M125 HydrophobicContact CG-CE 4.17Å; N121-M125 WeakPolarHBondContact O-CG 3.43Å; N121-M125 PolarHBondContact O-N 2.88Å; R122-M125 WeakPolarHBondContact O-CB 3.33Å; R122-M125 PolarHBondContact O-N 3.06Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.09Å; M125-V128 PolarHBondContact O-N 3.49Å; M125-M129 WeakPolarHBondContact O-CB 3.31Å; M125-M129 WeakPolarHBondContact O-CG 3.38Å; M125-M129 PolarHBondContact O-N 2.83Å; M125-I140 HydrophobicContact CB-CD1 4.28Å; M125-I140 HydrophobicContact CE-CD1 4.39Å
126V96.2Very high94.4Very high0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-61.2-50.1179.2175.10000111.1R122 E123 V128 M129 F130 L138 I140 Y381 L386 L389R122-V126 WeakPolarHBondContact O-CG2 3.48Å; R122-V126 PolarHBondContact O-N 2.71Å; E123-V126 WeakPolarHBondContact O-CB 3.4Å; E123-V126 PolarHBondContact O-N 3.02Å; E123-V126 VanDerWaalsContact O-N 3.14Å; V126-V128 PolarHBondContact O-N 3.06Å; V126-M129 PolarHBondContact O-N 3.1Å; V126-F130 HydrophobicContact CG1-CD2 3.6Å; V126-F130 HydrophobicContact CG1-CE2 3.74Å; V126-F130 WeakPolarHBondContact O-CD2 3.47Å; V126-F130 PolarHBondContact O-N 3.14Å; V126-L138 HydrophobicContact CB-CD2 4.17Å; V126-L138 HydrophobicContact CG1-CD2 4.41Å; V126-L138 HydrophobicContact CG2-CD2 3.78Å; V126-I140 HydrophobicContact CG2-CD1 3.8Å; V126-Y381 HydrophobicContact CG1-CD2 3.72Å; V126-Y381 HydrophobicContact CG1-CE2 3.73Å; V126-L386 HydrophobicContact CB-CD2 4.33Å; V126-L386 HydrophobicContact CG1-CD2 4.35Å; V126-L389 HydrophobicContact CG2-CD1 4.37Å; V126-L389 HydrophobicContact CG2-CD2 3.78Å; V126-L389 HydrophobicContact CG2-CG 4.27Å
127E96.6Very high95Very high56 Ų5645.2 Ų45.226%0.26221%0.21SC..Hα-helixtrans-54.5-51.5177.6-172.7-160.613300111E123 K124 M129 F130 E131E123-E127 PolarHBondContact O-N 3.14Å; K124-E127 HydrophobicContact CD-CB 4.47Å; K124-E127 WeakPolarHBondContact CD-OE2 3.16Å; K124-E127 VanDerWaalsContact NZ-CD 3.27Å; K124-E127 IonicContact NZ-OE1 3.82Å; K124-E127 PolarHBondContact NZ-OE1 3.22Å; K124-E127 IonicContact NZ-OE2 3.71Å; K124-E127 PolarHBondContact NZ-OE2 3.08Å; E127-M129 PolarHBondContact O-N 2.79Å; E127-F130 PolarHBondContact O-N 3.35Å; E127-E131 HydrophobicContact CG-CG 4.26Å; E127-E131 VanDerWaalsContact O-CB 3.23Å; E127-E131 WeakPolarHBondContact O-CB 3.4Å; E127-E131 WeakPolarHBondContact O-CG 3.47Å; E127-E131 PolarHBondContact O-N 2.81Å
128V97.4Very high95.3Very high5 Ų544.4 Ų44.43%0.0321%0.205CC..Iπ-helixtrans-61.9-42.1-179.1169.10000111.7W84 I88 Y91 K124 M125 V126 K132 Y133W84-V128 HydrophobicContact CE3-CG2 4.15Å; W84-V128 HydrophobicContact CZ3-CG2 4.18Å; I88-V128 HydrophobicContact CG1-CG1 4.29Å; Y91-V128 HydrophobicContact CD2-CG1 4.32Å; K124-V128 HydrophobicContact CD-CG2 4.26Å; K124-V128 HydrophobicContact CG-CG2 4.35Å; K124-V128 WeakPolarHBondContact O-CB 3.46Å; K124-V128 WeakPolarHBondContact O-CG2 3.36Å; K124-V128 PolarHBondContact O-N 2.99Å; M125-V128 PolarHBondContact O-N 3.49Å; V126-V128 PolarHBondContact O-N 3.06Å; V128-K132 WeakPolarHBondContact O-CB 3.07Å; V128-K132 PolarHBondContact O-N 3.08Å; V128-K132 VanDerWaalsContact O-N 3.16Å; V128-Y133 HydrophobicContact CG1-CD2 3.88Å; V128-Y133 HydrophobicContact CG1-CE2 3.57Å; V128-Y133 WeakPolarHBondContact O-CD2 3.49Å; V128-Y133 PolarHBondContact O-N 3.26Å
129M97.7Very high95.5Very high0 Ų042.8 Ų42.80%019%0.193CC..Iπ-helixtrans-68.9-38.6-177.5-67.4-66.5145.800112.6Y91 F95 I109 L111 M125 V126 E127 Y133 G134 F135 L138Y91-M129 HydrophobicContact CD1-CE 3.85Å; Y91-M129 HydrophobicContact CD2-CE 3.71Å; Y91-M129 HydrophobicContact CE1-CE 3.54Å; Y91-M129 HydrophobicContact CE2-CE 3.34Å; Y91-M129 HydrophobicContact CG-CE 3.96Å; F95-M129 HydrophobicContact CE2-CE 4.37Å; F95-M129 HydrophobicContact CE2-SD 4.35Å; F95-M129 HydrophobicContact CZ-CE 4.28Å; F95-M129 HydrophobicContact CZ-SD 4.21Å; I109-M129 HydrophobicContact CD1-SD 4.12Å; I109-M129 HydrophobicContact CG2-SD 4.3Å; L111-M129 HydrophobicContact CD1-CE 3.73Å; L111-M129 HydrophobicContact CD1-CG 3.77Å; L111-M129 HydrophobicContact CD1-SD 3.96Å; M125-M129 WeakPolarHBondContact O-CB 3.31Å; M125-M129 WeakPolarHBondContact O-CG 3.38Å; M125-M129 PolarHBondContact O-N 2.83Å; V126-M129 PolarHBondContact O-N 3.1Å; E127-M129 PolarHBondContact O-N 2.79Å; M129-Y133 HydrophobicContact SD-CD2 4.37Å; M129-G134 PolarHBondContact O-N 3.25Å; M129-F135 HydrophobicContact CB-CD2 4.16Å; M129-F135 PolarHBondContact O-N 3.25Å; M129-F135 VanDerWaalsContact O-N 3.09Å; M129-F135 HydrophobicContact SD-CD2 3.75Å; M129-F135 HydrophobicContact SD-CE2 3.6Å; M129-L138 HydrophobicContact CB-CD2 4.05Å; M129-L138 HydrophobicContact CG-CD1 4.29Å; M129-L138 HydrophobicContact CG-CD2 4.28Å
130F97.6Very high95.7Very high4 Ų438.7 Ų38.72%0.01817%0.171CC..Iπ-helixtrans-85.9-44.8179.2-71.6-54.4000113.4V126 E127 G134 F135 L138 L376 R378 Y381V126-F130 HydrophobicContact CG1-CD2 3.6Å; V126-F130 HydrophobicContact CG1-CE2 3.74Å; V126-F130 WeakPolarHBondContact O-CD2 3.47Å; V126-F130 PolarHBondContact O-N 3.14Å; E127-F130 PolarHBondContact O-N 3.35Å; F130-G134 WeakPolarHBondContact O-CA 3.45Å; F130-G134 PolarHBondContact O-N 3.48Å; F130-F135 WeakPolarHBondContact CD1-O 3.44Å; F130-F135 WeakPolarHBondContact CE1-O 3.05Å; F130-L138 HydrophobicContact CE1-CB 4.37Å; F130-L138 HydrophobicContact CE2-CB 4.19Å; F130-L138 HydrophobicContact CE2-CD2 4.28Å; F130-L138 HydrophobicContact CZ-CB 3.78Å; F130-L376 HydrophobicContact CE2-CB 4.4Å; F130-L376 HydrophobicContact CZ-CB 4.2Å; F130-L376 WeakPolarHBondContact CZ-O 3.42Å; F130-R378 HydrophobicContact CD1-CB 3.83Å; F130-R378 HydrophobicContact CD1-CG 4.12Å; F130-R378 HydrophobicContact CE1-CB 3.89Å; F130-Y381 HydrophobicContact CB-CD1 3.51Å; F130-Y381 HydrophobicContact CB-CE1 3.8Å; F130-Y381 HydrophobicContact CB-CG 4Å; F130-Y381 AromaticContact CD2-CD1 3.87Å; F130-Y381 HydrophobicContact CD2-CD1 3.87Å; F130-Y381 AromaticContact CD2-CD2 3.66Å; F130-Y381 HydrophobicContact CD2-CD2 3.66Å; F130-Y381 HydrophobicContact CD2-CE2 4.3Å; F130-Y381 AromaticContact CD2-CG 3.4Å; F130-Y381 HydrophobicContact CD2-CG 3.4Å; F130-Y381 VanDerWaalsContact CD2-CG 3.4Å; F130-Y381 HydrophobicContact CE2-CD2 4.21Å; F130-Y381 HydrophobicContact CE2-CG 4.05Å; F130-Y381 AromaticContact CG-CD1 3.89Å; F130-Y381 HydrophobicContact CG-CD1 3.89Å; F130-Y381 HydrophobicContact CG-CD2 4.49Å; F130-Y381 AromaticContact CG-CG 3.87Å; F130-Y381 HydrophobicContact CG-CG 3.87Å
131E97.3Very high95.6Very high121 Ų12129.4 Ų29.457%0.56514%0.138SC*.Iπ-helixtrans-82.4-45.2-172.7-60.3-173-17300112.6E127 Y381E127-E131 HydrophobicContact CG-CG 4.26Å; E127-E131 VanDerWaalsContact O-CB 3.23Å; E127-E131 WeakPolarHBondContact O-CB 3.4Å; E127-E131 WeakPolarHBondContact O-CG 3.47Å; E127-E131 PolarHBondContact O-N 2.81Å; E131-Y381 HydrophobicContact CG-CE1 3.72Å; E131-Y381 PolarHBondContact OE1-OH 2.89Å
132K97Very high95.5Very high104 Ų10430.1 Ų30.145%0.45214%0.141SC..Iπ-helixtrans-82.6-49.5-179.1176.6168.9170.9141.70112I88 D92 V128I88-K132 HydrophobicContact CD1-CD 4.13Å; I88-K132 HydrophobicContact CG1-CD 4.17Å; I88-K132 HydrophobicContact CG2-CD 4.03Å; D92-K132 IonicContact OD1-NZ 3.23Å; D92-K132 IonicContact OD2-NZ 3.7Å; V128-K132 WeakPolarHBondContact O-CB 3.07Å; V128-K132 PolarHBondContact O-N 3.08Å; V128-K132 VanDerWaalsContact O-N 3.16Å
133Y97.5Very high95.4Very high22 Ų2228.7 Ų28.79%0.08614%0.137CC..Iπ-helixtrans-91.4-30.2-174.9-65.8-68.6000113.2I88 Y91 D92 F95 P104 V128 M129 F135I88-Y133 PolarHBondContact O-OH 2.8Å; Y91-Y133 WeakPolarHBondContact CB-OH 3.3Å; Y91-Y133 HydrophobicContact CD2-CE2 4.2Å; Y91-Y133 HydrophobicContact CG-CE2 4.22Å; D92-Y133 PolarHBondContact N-OH 3.38Å; D92-Y133 WeakPolarHBondContact OD1-CE1 3.27Å; D92-Y133 VanDerWaalsContact OD1-CZ 3.31Å; D92-Y133 PolarHBondContact OD1-OH 2.84Å; F95-Y133 AromaticContact CD2-CD1 3.73Å; F95-Y133 HydrophobicContact CD2-CD1 3.73Å; F95-Y133 HydrophobicContact CD2-CD2 4.46Å; F95-Y133 AromaticContact CD2-CE1 3.76Å; F95-Y133 HydrophobicContact CD2-CE1 3.76Å; F95-Y133 HydrophobicContact CD2-CE2 4.48Å; F95-Y133 HydrophobicContact CD2-CG 4.12Å; F95-Y133 HydrophobicContact CE2-CD1 4.12Å; F95-Y133 HydrophobicContact CE2-CD2 4.03Å; F95-Y133 HydrophobicContact CE2-CE1 4.21Å; F95-Y133 HydrophobicContact CE2-CE2 4.1Å; F95-Y133 HydrophobicContact CE2-CG 4.05Å; P104-Y133 WeakPolarHBondContact CB-O 3.22Å; P104-Y133 HydrophobicContact CG-CD1 4.37Å; V128-Y133 HydrophobicContact CG1-CD2 3.88Å; V128-Y133 HydrophobicContact CG1-CE2 3.57Å; V128-Y133 WeakPolarHBondContact O-CD2 3.49Å; V128-Y133 PolarHBondContact O-N 3.26Å; M129-Y133 HydrophobicContact SD-CD2 4.37Å; Y133-F135 HydrophobicContact CG-CE2 4.23Å
134G96.8Very high95.1Very high5 Ų526 Ų265%0.05212%0.124CC..  trans76.127.5178.100000114.3K105 M129 F130 R378K105-G134 WeakPolarHBondContact CA-O 3.48Å; M129-G134 PolarHBondContact O-N 3.25Å; F130-G134 WeakPolarHBondContact O-CA 3.45Å; F130-G134 PolarHBondContact O-N 3.48Å; G134-R378 PolarHBondContact O-NH1 3.35Å
135F97.2Very high94.8Very high0 Ų023.7 Ų23.70%012%0.116CC..  trans-51.2141.7177-82.9-80.1000112.1F95 I102 P104 A107 I109 M129 F130 Y133F95-F135 HydrophobicContact CD1-CZ 4.02Å; F95-F135 HydrophobicContact CD2-CE2 4.2Å; F95-F135 HydrophobicContact CD2-CZ 4.21Å; F95-F135 HydrophobicContact CE1-CE2 4.24Å; F95-F135 AromaticContact CE1-CZ 3.68Å; F95-F135 HydrophobicContact CE1-CZ 3.68Å; F95-F135 AromaticContact CE2-CE2 3.63Å; F95-F135 HydrophobicContact CE2-CE2 3.63Å; F95-F135 AromaticContact CE2-CZ 3.87Å; F95-F135 HydrophobicContact CE2-CZ 3.87Å; F95-F135 HydrophobicContact CG-CZ 4.3Å; F95-F135 AromaticContact CZ-CE2 3.67Å; F95-F135 HydrophobicContact CZ-CE2 3.67Å; F95-F135 AromaticContact CZ-CZ 3.6Å; F95-F135 HydrophobicContact CZ-CZ 3.6Å; I102-F135 HydrophobicContact CD1-CE1 4.33Å; I102-F135 HydrophobicContact CD1-CZ 4.4Å; P104-F135 HydrophobicContact CB-CD1 3.93Å; P104-F135 HydrophobicContact CB-CD2 3.93Å; P104-F135 HydrophobicContact CB-CE1 3.78Å; P104-F135 HydrophobicContact CB-CE2 3.77Å; P104-F135 HydrophobicContact CB-CG 4.01Å; P104-F135 HydrophobicContact CB-CZ 3.69Å; P104-F135 HydrophobicContact CG-CE1 4.48Å; P104-F135 HydrophobicContact CG-CE2 4.25Å; P104-F135 HydrophobicContact CG-CZ 4.06Å; P104-F135 WeakPolarHBondContact O-CA 3.44Å; A107-F135 HydrophobicContact CB-CD1 4.14Å; A107-F135 HydrophobicContact CB-CE1 4Å; I109-F135 HydrophobicContact CB-CD1 3.82Å; I109-F135 HydrophobicContact CB-CE1 3.69Å; I109-F135 HydrophobicContact CB-CG 4.31Å; I109-F135 HydrophobicContact CB-CZ 4.07Å; I109-F135 HydrophobicContact CD1-CE1 4.18Å; I109-F135 HydrophobicContact CD1-CE2 4.06Å; I109-F135 HydrophobicContact CD1-CZ 3.71Å; I109-F135 HydrophobicContact CG1-CE1 4.49Å; I109-F135 HydrophobicContact CG1-CZ 4.49Å; I109-F135 HydrophobicContact CG2-CB 4.17Å; I109-F135 HydrophobicContact CG2-CD1 3.63Å; I109-F135 HydrophobicContact CG2-CD2 3.85Å; I109-F135 HydrophobicContact CG2-CE1 3.91Å; I109-F135 HydrophobicContact CG2-CE2 4.11Å; I109-F135 HydrophobicContact CG2-CG 3.6Å; I109-F135 HydrophobicContact CG2-CZ 4.14Å; M129-F135 HydrophobicContact CB-CD2 4.16Å; M129-F135 PolarHBondContact O-N 3.25Å; M129-F135 VanDerWaalsContact O-N 3.09Å; M129-F135 HydrophobicContact SD-CD2 3.75Å; M129-F135 HydrophobicContact SD-CE2 3.6Å; F130-F135 WeakPolarHBondContact CD1-O 3.44Å; F130-F135 WeakPolarHBondContact CE1-O 3.05Å; Y133-F135 HydrophobicContact CG-CE2 4.23Å
136N94.3Very high94.7Very high59 Ų5923.4 Ų23.432%0.31611%0.114SC..SBendtrans-66.2-44.3178.8-175.6-39.6000111N8 A107 R378N8-N136 PolarHBondContact ND2-ND2 3.32Å; A107-N136 WeakPolarHBondContact O-CB 3.35Å; A107-N136 PolarHBondContact O-N 3.03Å; N136-R378 WeakPolarHBondContact O-CB 3.01Å; N136-R378 PolarHBondContact O-N 2.96Å
137A94.7Very high94.6Very high1 Ų123.4 Ų23.41%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-148.1152.517500000112.4K108 I109 W375 L376K108-A137 CarbonylContact C-O 3.59Å; K108-A137 VanDerWaalsContact CA-O 3.31Å; K108-A137 WeakPolarHBondContact CA-O 3.31Å; K108-A137 HydrophobicContact CB-CB 4.48Å; K108-A137 HydrophobicContact CD-CB 4.22Å; K108-A137 HydrophobicContact CG-CB 3.88Å; I109-A137 PolarHBondContact N-O 3.5Å; A137-W375 HydrophobicContact CB-CB 4.03Å; A137-W375 HydrophobicContact CB-CE3 4.16Å; A137-L376 CarbonylContact C-O 3.6Å; A137-L376 WeakPolarHBondContact CA-O 3.36Å; A137-L376 WeakPolarHBondContact CB-O 3.48Å
138L95.3Very high94.4Very high0 Ų020.7 Ų20.70%010%0.102CC..EExtended strand (participates in β ladder)trans-128.5139.9-178.7169.466.3000109.9I109 L111 V126 M129 F130 I140 L376I109-L138 HydrophobicContact CG2-CB 4.44Å; I109-L138 HydrophobicContact CG2-CD1 3.76Å; I109-L138 CarbonylContact O-C 3.59Å; I109-L138 WeakPolarHBondContact O-CA 3.43Å; L111-L138 HydrophobicContact CB-CD1 4.36Å; L111-L138 HydrophobicContact CD1-CD1 3.77Å; L111-L138 HydrophobicContact CG-CD1 3.83Å; V126-L138 HydrophobicContact CB-CD2 4.17Å; V126-L138 HydrophobicContact CG1-CD2 4.41Å; V126-L138 HydrophobicContact CG2-CD2 3.78Å; M129-L138 HydrophobicContact CB-CD2 4.05Å; M129-L138 HydrophobicContact CG-CD1 4.29Å; M129-L138 HydrophobicContact CG-CD2 4.28Å; F130-L138 HydrophobicContact CE1-CB 4.37Å; F130-L138 HydrophobicContact CE2-CB 4.19Å; F130-L138 HydrophobicContact CE2-CD2 4.28Å; F130-L138 HydrophobicContact CZ-CB 3.78Å; L138-I140 HydrophobicContact CD1-CG1 4.09Å; L138-I140 HydrophobicContact CD2-CD1 4.25Å; L138-I140 HydrophobicContact CD2-CG1 4.29Å; L138-I140 HydrophobicContact CG-CG1 4.16Å; L138-L376 PolarHBondContact N-O 3.03Å; L138-L376 WeakPolarHBondContact O-CB 3.37Å; L138-L376 PolarHBondContact O-N 2.57Å
139F94.2Very high93.9Very high20 Ų2023.1 Ų23.19%0.08811%0.111CC..EExtended strand (participates in β ladder)trans-128.6136.5165.1-173.4-107.2000109.3I109 L110 L111 A141 L363 T374 W375 L392I109-F139 PolarHBondContact O-N 3.02Å; L110-F139 CarbonylContact C-O 3.55Å; L110-F139 WeakPolarHBondContact CA-O 3.47Å; L110-F139 HydrophobicContact CD1-CD1 3.66Å; L110-F139 HydrophobicContact CD1-CE1 4.32Å; L110-F139 HydrophobicContact CG-CD1 3.92Å; L111-F139 PolarHBondContact N-O 3.46Å; F139-A141 HydrophobicContact CD1-CB 4.16Å; F139-A141 HydrophobicContact CE1-CB 3.8Å; F139-L363 HydrophobicContact CE1-CD2 3.8Å; F139-T374 WeakPolarHBondContact CD2-O 3.34Å; F139-W375 HydrophobicContact CB-CD2 4.16Å; F139-W375 HydrophobicContact CB-CE3 3.68Å; F139-W375 HydrophobicContact CB-CH2 4.31Å; F139-W375 HydrophobicContact CB-CZ3 3.76Å; F139-L392 HydrophobicContact CE2-CD2 4.49Å
140I93.5Very high93.6Very high12 Ų1224.3 Ų24.36%0.06212%0.12CC..EExtended strand (participates in β ladder)trans-114.8124.3176.6-58.9178.1000107.9L111 E113 R122 M125 V126 L138L111-I140 WeakPolarHBondContact O-CA 3.33Å; E113-I140 HydrophobicContact CB-CG2 4.16Å; E113-I140 VanDerWaalsContact CD-CG2 3.41Å; E113-I140 HydrophobicContact CG-CG2 3.8Å; R122-I140 HydrophobicContact CG-CD1 3.74Å; M125-I140 HydrophobicContact CB-CD1 4.28Å; M125-I140 HydrophobicContact CE-CD1 4.39Å; V126-I140 HydrophobicContact CG2-CD1 3.8Å; L138-I140 HydrophobicContact CD1-CG1 4.09Å; L138-I140 HydrophobicContact CD2-CD1 4.25Å; L138-I140 HydrophobicContact CD2-CG1 4.29Å; L138-I140 HydrophobicContact CG-CG1 4.16Å
141A91.7Very high93.3Very high8 Ų827.7 Ų27.77%0.06614%0.136CC..EExtended strand (participates in β ladder)trans-121.2139.5-176.500000111.8L110 L111 T112 E113 F139 Q143 L146L110-A141 HydrophobicContact CD2-CB 4.22Å; L111-A141 PolarHBondContact O-N 2.87Å; T112-A141 CarbonylContact C-O 3.46Å; T112-A141 WeakPolarHBondContact CA-O 3.32Å; E113-A141 PolarHBondContact N-O 3.27Å; F139-A141 HydrophobicContact CD1-CB 4.16Å; F139-A141 HydrophobicContact CE1-CB 3.8Å; A141-Q143 PolarHBondContact O-N 3.23Å; A141-L146 HydrophobicContact CB-CD1 3.76Å; A141-L146 HydrophobicContact CB-CD2 3.74Å; A141-L146 HydrophobicContact CB-CG 3.81Å
142I90.5Very high92.9Very high35 Ų3525 Ų2518%0.17914%0.141CC..EExtended strand (participates in β ladder)trans-71.3128.7173.9-59.2173.3000108.9P115 A144 T145 L146P115-I142 HydrophobicContact CG-CG2 4.43Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 HydrophobicContact CG2-CB 4.45Å; I142-A144 PolarHBondContact O-N 3.42Å; I142-T145 PolarHBondContact O-N 2.89Å; I142-T145 VanDerWaalsContact O-N 3.11Å; I142-L146 PolarHBondContact O-N 2.8Å
143Q91.8Very high92.8Very high21 Ų2121.4 Ų21.410%0.09813%0.127CC..Hα-helixtrans-50.8-46.3-176.9-73.5173.8-21.300113.1D14 E113 A141 T145 L146 T147 V356D14-Q143 PolarHBondContact OD1-NE2 3.45Å; D14-Q143 VanDerWaalsContact OD1-NE2 3.12Å; E113-Q143 VanDerWaalsContact O-CG 3.3Å; E113-Q143 WeakPolarHBondContact O-CG 3.24Å; E113-Q143 PolarHBondContact O-N 3.26Å; A141-Q143 PolarHBondContact O-N 3.23Å; Q143-T145 PolarHBondContact O-N 3.46Å; Q143-L146 WeakPolarHBondContact O-CB 3.18Å; Q143-L146 PolarHBondContact O-N 3.41Å; Q143-T147 WeakPolarHBondContact O-CG2 3.29Å; Q143-T147 PolarHBondContact O-N 2.96Å; Q143-V356 HydrophobicContact CB-CG1 4.05Å; Q143-V356 HydrophobicContact CB-CG2 4.01Å; Q143-V356 HydrophobicContact CG-CG1 3.71Å; Q143-V356 HydrophobicContact CG-CG2 4.33Å
144A88.2Confident92.5Very high2 Ų224.8 Ų24.82%0.01714%0.144CC..Hα-helixtrans-64.1-38-179.600000113.7I142 L146 T147 L148 V158 C169I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 HydrophobicContact CG2-CB 4.45Å; I142-A144 PolarHBondContact O-N 3.42Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 2.97Å; A144-T147 PolarHBondContact O-N 3.01Å; A144-T147 PolarHBondContact O-OG1 3.44Å; A144-L148 PolarHBondContact O-N 2.76Å; A144-V158 HydrophobicContact CB-CB 3.92Å; A144-V158 HydrophobicContact CB-CG1 4.24Å; A144-V158 HydrophobicContact CB-CG2 4.05Å; A144-V158 WeakPolarHBondContact O-CG2 3.27Å; A144-C169 HydrophobicContact CB-CB 3.43Å; A144-C169 VanDerWaalsContact CB-CB 3.43Å; A144-C169 VanDerWaalsContact CB-SG 3.55Å
145T89.7Confident92.4Very high14 Ų1426 Ų269%0.08615%0.151CC..Hα-helixtrans-65.5-39.7178.1-54.40000110.6I142 Q143 T147 L148 Y149I142-T145 PolarHBondContact O-N 2.89Å; I142-T145 VanDerWaalsContact O-N 3.11Å; Q143-T145 PolarHBondContact O-N 3.46Å; T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact O-N 3.11Å; T145-L148 PolarHBondContact O-N 3.49Å; T145-Y149 HydrophobicContact CG2-CD1 4.48Å; T145-Y149 HydrophobicContact CG2-CD2 4.08Å; T145-Y149 HydrophobicContact CG2-CE1 3.9Å; T145-Y149 HydrophobicContact CG2-CE2 3.46Å; T145-Y149 VanDerWaalsContact CG2-CE2 3.46Å; T145-Y149 WeakPolarHBondContact CG2-OH 3.29Å; T145-Y149 VanDerWaalsContact O-CG 3.29Å; T145-Y149 PolarHBondContact O-N 2.89Å; T145-Y149 VanDerWaalsContact O-N 3.1Å
146L92.8Very high92.4Very high2 Ų226 Ų261%0.0115%0.151CC..Hα-helixtrans-62.5-38.7176.8-64.2-178.5000112.7L110 T112 A141 I142 Q143 A144 L148 Y149 A150 V356 G359 L363L110-L146 HydrophobicContact CD2-CD1 4.26Å; T112-L146 HydrophobicContact CG2-CD1 3.79Å; A141-L146 HydrophobicContact CB-CD1 3.76Å; A141-L146 HydrophobicContact CB-CD2 3.74Å; A141-L146 HydrophobicContact CB-CG 3.81Å; I142-L146 PolarHBondContact O-N 2.8Å; Q143-L146 WeakPolarHBondContact O-CB 3.18Å; Q143-L146 PolarHBondContact O-N 3.41Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 2.97Å; L146-L148 PolarHBondContact O-N 2.97Å; L146-Y149 PolarHBondContact O-N 3.02Å; L146-A150 WeakPolarHBondContact O-CB 3.3Å; L146-A150 PolarHBondContact O-N 3.1Å; L146-V356 HydrophobicContact CD1-CG1 4.32Å; L146-G359 VanDerWaalsContact O-CA 3.3Å; L146-G359 WeakPolarHBondContact O-CA 3.45Å; L146-L363 HydrophobicContact CD2-CB 4.26Å; L146-L363 HydrophobicContact CD2-CD2 3.52Å
147T93.8Very high92.6Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-67.8-35.8-178.1590000112.2Q143 A144 T145 V158 S306 M355 V356Q143-T147 WeakPolarHBondContact O-CG2 3.29Å; Q143-T147 PolarHBondContact O-N 2.96Å; A144-T147 PolarHBondContact O-N 3.01Å; A144-T147 PolarHBondContact O-OG1 3.44Å; T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact O-N 3.11Å; T147-V158 HydrophobicContact CG2-CG1 4.38Å; T147-V158 WeakPolarHBondContact OG1-CG1 3.44Å; T147-V158 WeakPolarHBondContact OG1-CG2 3.49Å; T147-S306 WeakPolarHBondContact CG2-OG 3.48Å; T147-M355 HydrophobicContact CG2-CB 4.11Å; T147-M355 WeakPolarHBondContact O-CE 3.39Å; T147-V356 HydrophobicContact CG2-CB 4.36Å; T147-V356 HydrophobicContact CG2-CG2 3.52Å
148L92.9Very high92.7Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-69.3-43.4173-68.5178.3000111.8A144 T145 L146 A150 Q151 G152 L153 V158 V171 V304A144-L148 PolarHBondContact O-N 2.76Å; T145-L148 PolarHBondContact O-N 3.49Å; L146-L148 PolarHBondContact O-N 2.97Å; L148-A150 PolarHBondContact O-N 3.11Å; L148-Q151 CarbonylContact O-C 3.18Å; L148-Q151 WeakPolarHBondContact O-CA 3.49Å; L148-Q151 PolarHBondContact O-N 2.96Å; L148-G152 PolarHBondContact O-N 2.87Å; L148-L153 CarbonylContact C-O 3.59Å; L148-L153 HydrophobicContact CB-CB 4.27Å; L148-L153 WeakPolarHBondContact CB-O 3.24Å; L148-L153 HydrophobicContact CD2-CB 4.26Å; L148-L153 HydrophobicContact CD2-CD1 4.28Å; L148-L153 PolarHBondContact O-N 3.35Å; L148-V158 HydrophobicContact CD1-CG2 4.04Å; L148-V158 HydrophobicContact CD2-CG2 3.83Å; L148-V158 HydrophobicContact CG-CG2 3.55Å; L148-V171 HydrophobicContact CD1-CB 3.35Å; L148-V171 HydrophobicContact CD1-CG1 3.89Å; L148-V171 HydrophobicContact CD1-CG2 3.55Å; L148-V304 HydrophobicContact CD2-CB 3.99Å; L148-V304 HydrophobicContact CD2-CG2 3.49Å; L148-V304 VanDerWaalsContact CD2-CG2 3.49Å
149Y87.9Confident92.8Very high56 Ų5623.2 Ų23.222%0.2214%0.136CC..Hα-helixtrans-60.4-35177-67.9-8.8000112.3T145 L146 Q151 G152 M154 G174 L363T145-Y149 HydrophobicContact CG2-CD1 4.48Å; T145-Y149 HydrophobicContact CG2-CD2 4.08Å; T145-Y149 HydrophobicContact CG2-CE1 3.9Å; T145-Y149 HydrophobicContact CG2-CE2 3.46Å; T145-Y149 VanDerWaalsContact CG2-CE2 3.46Å; T145-Y149 WeakPolarHBondContact CG2-OH 3.29Å; T145-Y149 VanDerWaalsContact O-CG 3.29Å; T145-Y149 PolarHBondContact O-N 2.89Å; T145-Y149 VanDerWaalsContact O-N 3.1Å; L146-Y149 PolarHBondContact O-N 3.02Å; Y149-Q151 PolarHBondContact O-N 2.91Å; Y149-G152 PolarHBondContact O-N 3.07Å; Y149-M154 HydrophobicContact CD1-SD 4.09Å; Y149-M154 HydrophobicContact CE1-CE 4.12Å; Y149-M154 HydrophobicContact CE1-SD 3.58Å; Y149-M154 VanDerWaalsContact CE1-SD 3.58Å; Y149-G174 PolarHBondContact OH-O 2.92Å; Y149-L363 HydrophobicContact CD2-CD1 4.03Å; Y149-L363 HydrophobicContact CD2-CD2 4.39Å; Y149-L363 HydrophobicContact CE2-CD1 4.28Å
150A89.9Confident92.9Very high24 Ų2423 Ų2320%0.19814%0.136CC..THydrogen-bonded Turntrans-63.7-20.2173.400000114.1L146 L148 M355 I358L146-A150 WeakPolarHBondContact O-CB 3.3Å; L146-A150 PolarHBondContact O-N 3.1Å; L148-A150 PolarHBondContact O-N 3.11Å; A150-M355 HydrophobicContact CB-CE 3.37Å; A150-M355 HydrophobicContact CB-SD 3.75Å; A150-I358 HydrophobicContact CB-CG2 4.28Å
151Q91.2Very high93.1Very high75 Ų7522.5 Ų22.535%0.3513%0.133SC..THydrogen-bonded Turntrans-99.21.2171.7-65.9-57.3-71.200113.1L148 Y149 L153 V304 P349 M355L148-Q151 CarbonylContact O-C 3.18Å; L148-Q151 WeakPolarHBondContact O-CA 3.49Å; L148-Q151 PolarHBondContact O-N 2.96Å; Y149-Q151 PolarHBondContact O-N 2.91Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 HydrophobicContact CB-CD1 4Å; Q151-L153 HydrophobicContact CB-CG 3.99Å; Q151-V304 HydrophobicContact CG-CG1 4.25Å; Q151-P349 HydrophobicContact CG-CG 4.31Å; Q151-M355 HydrophobicContact CG-CE 3.55Å
152G90.4Very high93.3Very high66 Ų6623.1 Ų23.168%0.6814%0.141SC*.THydrogen-bonded Turntrans69.427.2-173.700000113.4L148 Y149L148-G152 PolarHBondContact O-N 2.87Å; Y149-G152 PolarHBondContact O-N 3.07Å
153L93.6Very high93.5Very high28 Ų2822.6 Ų22.615%0.14714%0.138CC..  trans-105.8142.3179-61.7175.7000111L148 Q151 H302 V304 E347L148-L153 CarbonylContact C-O 3.59Å; L148-L153 HydrophobicContact CB-CB 4.27Å; L148-L153 WeakPolarHBondContact CB-O 3.24Å; L148-L153 HydrophobicContact CD2-CB 4.26Å; L148-L153 HydrophobicContact CD2-CD1 4.28Å; L148-L153 PolarHBondContact O-N 3.35Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 HydrophobicContact CB-CD1 4Å; Q151-L153 HydrophobicContact CB-CG 3.99Å; L153-H302 HydrophobicContact CD1-CB 4.15Å; L153-V304 HydrophobicContact CD1-CG2 3.82Å; L153-E347 WeakPolarHBondContact CD1-OE2 3.47Å
154M92.2Very high93.5Very high92 Ų9221.7 Ų21.745%0.45313%0.134SC..SBendtrans-106.5-22.5173.5-62.3-61.1-72.700112.5Y149 D173 G174Y149-M154 HydrophobicContact CD1-SD 4.09Å; Y149-M154 HydrophobicContact CE1-CE 4.12Å; Y149-M154 HydrophobicContact CE1-SD 3.58Å; Y149-M154 VanDerWaalsContact CE1-SD 3.58Å; M154-D173 PolarHBondContact O-N 3.33Å; M154-G174 PolarHBondContact O-N 2.65Å
155T95Very high93.8Very high32 Ų3222.1 Ų22.120%0.19614%0.136CC..SBendtrans-128.7134.6-179.5-63.20000109.7V171 Y172 D173 L299T155-V171 CarbonylContact C-O 3.59Å; T155-V171 WeakPolarHBondContact CA-O 3.25Å; T155-Y172 HydrophobicContact CG2-CD2 3.59Å; T155-Y172 HydrophobicContact CG2-CE2 4.11Å; T155-Y172 HydrophobicContact CG2-CG 4.41Å; T155-D173 PolarHBondContact OG1-N 2.93Å; T155-L299 HydrophobicContact CG2-CD2 4.34Å
156G97Very high94.1Very high0 Ų021.4 Ų21.40%013%0.132CC..EExtended strand (participates in β ladder)trans166.4-17817800000112.1V171 L299 H302G156-V171 PolarHBondContact N-O 3.41Å; G156-V171 PolarHBondContact O-N 2.95Å; G156-V171 VanDerWaalsContact O-O 3.05Å; G156-L299 WeakPolarHBondContact O-CD2 3.24Å; G156-H302 CarbonylContact C-O 3.43Å; G156-H302 WeakPolarHBondContact CA-O 3.32Å
157V97.8Very high94.2Very high0 Ų021.6 Ų21.60%013%0.133CC..EExtended strand (participates in β ladder)trans-119126.4171.2-175.20000109.3I168 P170 L284 I288 L299 H302 I303 V304V157-I168 HydrophobicContact CG1-CG2 3.45Å; V157-I168 VanDerWaalsContact CG1-CG2 3.45Å; V157-P170 HydrophobicContact CG1-CG 4.38Å; V157-P170 HydrophobicContact CG2-CB 4.16Å; V157-P170 HydrophobicContact CG2-CG 4.23Å; V157-L284 HydrophobicContact CB-CD1 4.2Å; V157-L284 HydrophobicContact CG1-CD1 3.56Å; V157-I288 HydrophobicContact CG2-CD1 4.23Å; V157-I288 HydrophobicContact CG2-CG1 3.85Å; V157-L299 HydrophobicContact CG2-CB 3.66Å; V157-L299 HydrophobicContact CG2-CD1 4.06Å; V157-L299 HydrophobicContact CG2-CD2 3.72Å; V157-L299 HydrophobicContact CG2-CG 3.99Å; V157-H302 PolarHBondContact N-O 3.22Å; V157-I303 CarbonylContact O-C 3.56Å; V157-I303 WeakPolarHBondContact O-CA 3.42Å; V157-V304 PolarHBondContact O-N 3.13Å
158V97.6Very high94.4Very high0 Ų021.6 Ų21.60%013%0.133CC..EExtended strand (participates in β ladder)trans-93.6126.1176.1-178.10000109.2A144 T147 L148 D160 I168 C169 V304A144-V158 HydrophobicContact CB-CB 3.92Å; A144-V158 HydrophobicContact CB-CG1 4.24Å; A144-V158 HydrophobicContact CB-CG2 4.05Å; A144-V158 WeakPolarHBondContact O-CG2 3.27Å; T147-V158 HydrophobicContact CG2-CG1 4.38Å; T147-V158 WeakPolarHBondContact OG1-CG1 3.44Å; T147-V158 WeakPolarHBondContact OG1-CG2 3.49Å; L148-V158 HydrophobicContact CD1-CG2 4.04Å; L148-V158 HydrophobicContact CD2-CG2 3.83Å; L148-V158 HydrophobicContact CG-CG2 3.55Å; V158-D160 HydrophobicContact CG1-CB 4.15Å; V158-I168 WeakPolarHBondContact O-CA 3.29Å; V158-C169 PolarHBondContact N-O 2.83Å; V158-C169 PolarHBondContact O-N 3.38Å; V158-V304 WeakPolarHBondContact CA-O 3.5Å
159V97.9Very high94.5Very high1 Ų121.7 Ų21.71%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-101.795.8165.8-176.20000107.4H167 I280 L284 I303 V304 L305 S306V159-H167 WeakPolarHBondContact CA-O 3.22Å; V159-I280 HydrophobicContact CG1-CD1 3.5Å; V159-I280 VanDerWaalsContact CG1-CD1 3.5Å; V159-I280 HydrophobicContact CG1-CG1 3.93Å; V159-L284 HydrophobicContact CG2-CD1 4.1Å; V159-L284 HydrophobicContact CG2-CD2 3.81Å; V159-L284 HydrophobicContact CG2-CG 4.49Å; V159-I303 HydrophobicContact CG2-CG2 4.05Å; V159-V304 PolarHBondContact N-O 3.36Å; V159-L305 HydrophobicContact CB-CD2 3.76Å; V159-L305 HydrophobicContact CG1-CD2 4.29Å; V159-L305 HydrophobicContact CG2-CD2 4.17Å; V159-S306 PolarHBondContact O-N 3.29Å
160D96.3Very high95Very high16 Ų1619 Ų199%0.08612%0.123CC..EExtended strand (participates in β ladder)trans-98.2110.2178.2-169.4-20.4000109.5V158 T166 H167 S306V158-D160 HydrophobicContact CG1-CB 4.15Å; D160-T166 CarbonylContact O-C 3.59Å; D160-T166 VanDerWaalsContact O-CA 3.22Å; D160-T166 WeakPolarHBondContact O-CA 3.41Å; D160-H167 PolarHBondContact N-O 2.98Å; D160-H167 PolarHBondContact O-N 3.25Å; D160-S306 WeakPolarHBondContact CA-O 3.32Å
161S97Very high95.2Very high1 Ų117.9 Ų17.91%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-117104.7177.7-167.10000110.7T166 S306 G307 G308 S309S161-T166 WeakPolarHBondContact CB-OG1 3.41Å; S161-T166 PolarHBondContact OG-OG1 2.87Å; S161-S306 PolarHBondContact N-O 3.21Å; S161-G307 CarbonylContact O-C 3.51Å; S161-G307 WeakPolarHBondContact O-CA 3.19Å; S161-G308 PolarHBondContact O-N 2.84Å; S161-S309 WeakPolarHBondContact O-CB 3.47Å; S161-S309 PolarHBondContact O-N 3.37Å; S161-S309 VanDerWaalsContact OG-CB 3.25Å; S161-S309 WeakPolarHBondContact OG-CB 3.39Å
162G95.3Very high95.3Very high21 Ų2119.3 Ų19.322%0.21612%0.117CC..  trans-96.5-146.3-175.900000114V165 G188 S309G162-V165 PolarHBondContact N-O 3.46Å; G162-G188 PolarHBondContact O-N 3.2Å; G162-S309 PolarHBondContact O-OG 2.6Å
163D95.2Very high95.3Very high24 Ų2421.7 Ų21.713%0.12811%0.114CC..SBendtrans-83.3-45.9174.2-174.257.1000112.2G18 A187 G188 R189G18-D163 WeakPolarHBondContact CA-OD2 3.49Å; D163-A187 WeakPolarHBondContact O-CB 3.2Å; D163-G188 PolarHBondContact O-N 2.81Å; D163-G188 VanDerWaalsContact O-N 3.14Å; D163-R189 VanDerWaalsContact O-CB 3.24Å; D163-R189 WeakPolarHBondContact O-CB 3.47Å; D163-R189 PolarHBondContact O-N 2.97Å; D163-R189 PolarHBondContact OD1-N 2.96Å; D163-R189 IonicContact OD2-CZ 2.8Å; D163-R189 IonicContact OD2-NE 3.65Å; D163-R189 PolarHBondContact OD2-NE 3.18Å; D163-R189 VanDerWaalsContact OD2-NE 3.1Å; D163-R189 IonicContact OD2-NH2 2.69Å; D163-R189 PolarHBondContact OD2-NH2 3.32Å
164G92.8Very high94.9Very high2 Ų220.5 Ų20.52%0.02111%0.109CC..SBendtrans-103.8-18.3-173.800000115.6N78N78-G164 PolarHBondContact OD1-O 2.97Å
165V93.5Very high94.6Very high10 Ų1020.4 Ų20.46%0.06111%0.109CC..  trans-154.3151-173.263.70000111.5N78 G162 H167 R183N78-V165 HydrophobicContact CB-CB 4.28Å; G162-V165 PolarHBondContact N-O 3.46Å; V165-H167 VanDerWaalsContact CG1-CE1 3.41Å; V165-H167 WeakPolarHBondContact CG1-CE1 3.49Å; V165-H167 VanDerWaalsContact CG2-CE1 3.49Å; V165-H167 WeakPolarHBondContact CG2-CE1 3.37Å; V165-R183 HydrophobicContact CG2-CG 3.53Å
166T96Very high94.3Very high0 Ų019.4 Ų19.40%010%0.104CC..EExtended strand (participates in β ladder)trans-113.6129.4168-59.40000109.5D160 S161 R183 L184 V186 I280D160-T166 CarbonylContact O-C 3.59Å; D160-T166 VanDerWaalsContact O-CA 3.22Å; D160-T166 WeakPolarHBondContact O-CA 3.41Å; S161-T166 WeakPolarHBondContact CB-OG1 3.41Å; S161-T166 PolarHBondContact OG-OG1 2.87Å; T166-R183 WeakPolarHBondContact O-CA 3.38Å; T166-L184 PolarHBondContact N-O 2.67Å; T166-L184 PolarHBondContact O-N 2.79Å; T166-V186 WeakPolarHBondContact CB-O 3.28Å; T166-V186 PolarHBondContact OG1-O 3.42Å; T166-I280 HydrophobicContact CG2-CD1 3.81Å; T166-I280 HydrophobicContact CG2-CG1 4.22Å
167H95.4Very high94Very high6 Ų621.1 Ų21.13%0.02811%0.112CC..EExtended strand (participates in β ladder)trans-117.3144.2175.7-68.1106.2000111P115 V159 D160 V165 R182P115-H167 HydrophobicContact CG-CB 4.02Å; V159-H167 WeakPolarHBondContact CA-O 3.22Å; D160-H167 PolarHBondContact N-O 2.98Å; D160-H167 PolarHBondContact O-N 3.25Å; V165-H167 VanDerWaalsContact CG1-CE1 3.41Å; V165-H167 WeakPolarHBondContact CG1-CE1 3.49Å; V165-H167 VanDerWaalsContact CG2-CE1 3.49Å; V165-H167 WeakPolarHBondContact CG2-CE1 3.37Å; H167-R182 WeakPolarHBondContact CA-O 3.49Å
168I97.4Very high93.5Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-118110.8169.6-56-172.2000106.8V157 V158 T181 R182 L283 L284 T287V157-I168 HydrophobicContact CG1-CG2 3.45Å; V157-I168 VanDerWaalsContact CG1-CG2 3.45Å; V158-I168 WeakPolarHBondContact O-CA 3.29Å; I168-T181 WeakPolarHBondContact O-CA 3.38Å; I168-R182 PolarHBondContact N-O 2.92Å; I168-R182 PolarHBondContact O-N 3.02Å; I168-L283 HydrophobicContact CD1-CB 3.8Å; I168-L283 HydrophobicContact CD1-CD2 3.9Å; I168-L283 HydrophobicContact CD1-CG 3.78Å; I168-L283 HydrophobicContact CG1-CD2 4.35Å; I168-L284 VanDerWaalsContact CD1-CA 3.47Å; I168-L284 HydrophobicContact CD1-CB 3.73Å; I168-L284 VanDerWaalsContact CD1-N 3.27Å; I168-L284 HydrophobicContact CG2-CD1 3.66Å; I168-T287 HydrophobicContact CG2-CG2 3.81Å
169C96.2Very high93.2Very high2 Ų229.8 Ų29.81%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-125104.8-171.3-172.90000110.4P115 A144 V158 T181P115-C169 HydrophobicContact CG-CB 4.33Å; A144-C169 HydrophobicContact CB-CB 3.43Å; A144-C169 VanDerWaalsContact CB-CB 3.43Å; A144-C169 VanDerWaalsContact CB-SG 3.55Å; V158-C169 PolarHBondContact N-O 2.83Å; V158-C169 PolarHBondContact O-N 3.38Å; C169-T181 HydrophobicContact CB-CG2 4.43Å
170P96.9Very high93Very high0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-69.5136.7168.4-21.636.2000111.3V157 L177 L180 T287 L299V157-P170 HydrophobicContact CG1-CG 4.38Å; V157-P170 HydrophobicContact CG2-CB 4.16Å; V157-P170 HydrophobicContact CG2-CG 4.23Å; P170-L177 HydrophobicContact CB-CB 4.44Å; P170-L177 HydrophobicContact CB-CD1 4.21Å; P170-L177 PolarHBondContact O-N 2.88Å; P170-L180 HydrophobicContact CG-CB 3.91Å; P170-T287 HydrophobicContact CG-CG2 3.42Å; P170-T287 VanDerWaalsContact CG-CG2 3.42Å; P170-L299 HydrophobicContact CB-CD1 4.21Å; P170-L299 HydrophobicContact CB-CD2 4.25Å
171V94.4Very high93Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-128.4135.4172.3-176.50000107.2L148 T155 G156 L175L148-V171 HydrophobicContact CD1-CB 3.35Å; L148-V171 HydrophobicContact CD1-CG1 3.89Å; L148-V171 HydrophobicContact CD1-CG2 3.55Å; T155-V171 CarbonylContact C-O 3.59Å; T155-V171 WeakPolarHBondContact CA-O 3.25Å; G156-V171 PolarHBondContact N-O 3.41Å; G156-V171 PolarHBondContact O-N 2.95Å; G156-V171 VanDerWaalsContact O-O 3.05Å; V171-L175 CarbonylContact C-O 3.54Å; V171-L175 WeakPolarHBondContact CA-O 3.13Å; V171-L175 WeakPolarHBondContact CG1-O 3.38Å
172Y93.1Very high92.9Very high105 Ų10534.1 Ų34.141%0.41217%0.174SC..EExtended strand (participates in β ladder)trans-132.6123179-171.2-91.5000109T155 G174 L175 T295T155-Y172 HydrophobicContact CG2-CD2 3.59Å; T155-Y172 HydrophobicContact CG2-CE2 4.11Å; T155-Y172 HydrophobicContact CG2-CG 4.41Å; Y172-G174 VanDerWaalsContact C-N 3.25Å; Y172-G174 PolarHBondContact O-N 2.87Å; Y172-L175 PolarHBondContact N-O 3.48Å; Y172-L175 WeakPolarHBondContact O-CB 3.39Å; Y172-L175 PolarHBondContact O-N 3.32Å; Y172-T295 HydrophobicContact CD2-CG2 3.91Å; Y172-T295 HydrophobicContact CE2-CG2 3.7Å; Y172-T295 HydrophobicContact CG-CG2 4.46Å
173D90.5Very high92.8Very high116 Ų11637.3 Ų37.362%0.6218%0.179SC*.THydrogen-bonded Turntrans5142.3-178.5-157.625.2000113.8M154 T155 L175M154-D173 PolarHBondContact O-N 3.33Å; T155-D173 PolarHBondContact OG1-N 2.93Å; D173-L175 PolarHBondContact O-N 3.22Å
174G86Confident92.8Very high3 Ų336.7 Ų36.73%0.03118%0.176CC..THydrogen-bonded Turntrans80.5-9.7-17900000114.9Y149 M154 Y172Y149-G174 PolarHBondContact OH-O 2.92Å; M154-G174 PolarHBondContact O-N 2.65Å; Y172-G174 VanDerWaalsContact C-N 3.25Å; Y172-G174 PolarHBondContact O-N 2.87Å
175L86Confident92.7Very high90 Ų9039.8 Ų39.847%0.47119%0.192SC..EExtended strand (participates in β ladder)trans-93.1119178-57.2177.2000109.9V171 Y172 D173 Y395V171-L175 CarbonylContact C-O 3.54Å; V171-L175 WeakPolarHBondContact CA-O 3.13Å; V171-L175 WeakPolarHBondContact CG1-O 3.38Å; Y172-L175 PolarHBondContact N-O 3.48Å; Y172-L175 WeakPolarHBondContact O-CB 3.39Å; Y172-L175 PolarHBondContact O-N 3.32Å; D173-L175 PolarHBondContact O-N 3.22Å; L175-Y395 HydrophobicContact CD2-CD1 3.76Å; L175-Y395 HydrophobicContact CD2-CE1 3.74Å
176S87.6Confident92.8Very high11 Ų1139.4 Ų39.48%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-62.1147.7167.560.50000109.6P178S176-P178 VanDerWaalsContact O-CD 3.23Å; S176-P178 WeakPolarHBondContact O-CD 3.27Å
177L90.4Very high92.9Very high35 Ų3539.4 Ų39.418%0.18319%0.189CC..  trans-108.286.9176.7-56.8178.9000109.8P170 H179 L180 T181P170-L177 HydrophobicContact CB-CB 4.44Å; P170-L177 HydrophobicContact CB-CD1 4.21Å; P170-L177 PolarHBondContact O-N 2.88Å; L177-H179 VanDerWaalsContact C-N 3.28Å; L177-H179 PolarHBondContact O-N 2.93Å; L177-L180 HydrophobicContact CB-CB 4.25Å; L177-L180 HydrophobicContact CB-CD1 4.22Å; L177-L180 HydrophobicContact CB-CG 4.37Å; L177-L180 HydrophobicContact CD1-CD1 3.77Å; L177-L180 PolarHBondContact O-N 3.32Å; L177-L180 VanDerWaalsContact O-N 3.07Å; L177-T181 PolarHBondContact O-N 2.87Å; L177-T181 VanDerWaalsContact O-N 3.17Å; L177-T181 PolarHBondContact O-OG1 3.28Å
178P87.8Confident92.9Very high50 Ų5039.1 Ų39.133%0.32519%0.189SC..G310 helixtrans-60.6-36.5-172.2-24.535.2000113.1L116 S176 L180 T181L116-P178 HydrophobicContact CD2-CB 4.39Å; S176-P178 VanDerWaalsContact O-CD 3.23Å; S176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-L180 PolarHBondContact O-N 3.07Å; P178-T181 WeakPolarHBondContact O-CB 3.08Å; P178-T181 PolarHBondContact O-N 3.33Å; P178-T181 VanDerWaalsContact O-N 3.08Å
179H91.1Very high92.8Very high132 Ų13241.1 Ų41.161%0.61120%0.196SC*.G310 helixtrans-65.9-22.6179.564.8-83.8000113.5L177 R182L177-H179 VanDerWaalsContact C-N 3.28Å; L177-H179 PolarHBondContact O-N 2.93Å; H179-R182 PolarHBondContact O-NH1 3.07Å
180L95.1Very high92.8Very high11 Ų1141.9 Ų41.96%0.05820%0.2CC..G310 helixtrans-95.9-12.4173.4-62.4-179.3000113.2P170 L177 P178 R182 T287 A290 A291P170-L180 HydrophobicContact CG-CB 3.91Å; L177-L180 HydrophobicContact CB-CB 4.25Å; L177-L180 HydrophobicContact CB-CD1 4.22Å; L177-L180 HydrophobicContact CB-CG 4.37Å; L177-L180 HydrophobicContact CD1-CD1 3.77Å; L177-L180 PolarHBondContact O-N 3.32Å; L177-L180 VanDerWaalsContact O-N 3.07Å; P178-L180 PolarHBondContact O-N 3.07Å; L180-R182 VanDerWaalsContact C-NH1 3.31Å; L180-R182 PolarHBondContact O-N 3.44Å; L180-R182 PolarHBondContact O-NH1 3.41Å; L180-T287 VanDerWaalsContact O-CG2 3.29Å; L180-T287 WeakPolarHBondContact O-CG2 3.49Å; L180-A290 HydrophobicContact CD2-CB 3.89Å; L180-A291 HydrophobicContact CD1-CB 3.61Å
181T95.2Very high92.9Very high9 Ų941.9 Ų41.96%0.05520%0.2CC..  trans-61.5132179.4-61.80000109.9P115 L116 I168 C169 L177 P178P115-T181 HydrophobicContact CB-CG2 3.58Å; P115-T181 HydrophobicContact CG-CG2 4.43Å; L116-T181 HydrophobicContact CD1-CG2 4.2Å; L116-T181 HydrophobicContact CG-CG2 4.18Å; I168-T181 WeakPolarHBondContact O-CA 3.38Å; C169-T181 HydrophobicContact CB-CG2 4.43Å; L177-T181 PolarHBondContact O-N 2.87Å; L177-T181 VanDerWaalsContact O-N 3.17Å; L177-T181 PolarHBondContact O-OG1 3.28Å; P178-T181 WeakPolarHBondContact O-CB 3.08Å; P178-T181 PolarHBondContact O-N 3.33Å; P178-T181 VanDerWaalsContact O-N 3.08Å
182R95.4Very high93Very high90 Ų9041.9 Ų41.934%0.3420%0.2SC..EExtended strand (participates in β ladder)trans-120.7151.5176-61.5-61.7177-98.9-1110.6H167 I168 H179 L180 L283 T287H167-R182 WeakPolarHBondContact CA-O 3.49Å; I168-R182 PolarHBondContact N-O 2.92Å; I168-R182 PolarHBondContact O-N 3.02Å; H179-R182 PolarHBondContact O-NH1 3.07Å; L180-R182 VanDerWaalsContact C-NH1 3.31Å; L180-R182 PolarHBondContact O-N 3.44Å; L180-R182 PolarHBondContact O-NH1 3.41Å; R182-L283 HydrophobicContact CB-CD1 3.88Å; R182-L283 HydrophobicContact CB-CD2 4.11Å; R182-L283 HydrophobicContact CB-CG 3.95Å; R182-L283 HydrophobicContact CG-CD1 4.18Å; R182-T287 HydrophobicContact CG-CG2 4.47Å; R182-T287 WeakPolarHBondContact CG-OG1 3.36Å
183R93.4Very high93.2Very high87 Ų8742.6 Ų42.633%0.32820%0.202SC..EExtended strand (participates in β ladder)trans-125.7131.7-178.7175.7174.4160.3171.7-5.1109.6V165 T166 N185V165-R183 HydrophobicContact CG2-CG 3.53Å; T166-R183 WeakPolarHBondContact O-CA 3.38Å; R183-N185 VanDerWaalsContact CZ-OD1 3.22Å; R183-N185 PolarHBondContact NE-OD1 3.15Å; R183-N185 PolarHBondContact NH2-OD1 3.44Å
184L94.1Very high93.5Very high11 Ų1138.5 Ų38.56%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-109.6122.7169.1176.166.1000108.3T166 V186 P270 I280 L283T166-L184 PolarHBondContact N-O 2.67Å; T166-L184 PolarHBondContact O-N 2.79Å; L184-V186 HydrophobicContact CD1-CB 4.34Å; L184-V186 HydrophobicContact CD1-CG2 3.92Å; L184-V186 HydrophobicContact CD2-CB 4.14Å; L184-V186 HydrophobicContact CG-CB 3.91Å; L184-V186 HydrophobicContact CG-CG2 4.05Å; L184-V186 PolarHBondContact O-N 2.98Å; L184-P270 HydrophobicContact CD1-CG 3.91Å; L184-I280 HydrophobicContact CD2-CB 4.3Å; L184-L283 HydrophobicContact CB-CD2 3.79Å
185N91.6Very high94.1Very high68 Ų6838.3 Ų38.336%0.36418%0.177SC..SBendtrans-80.843.7177.2-69.7-37.2000111.9R183R183-N185 VanDerWaalsContact CZ-OD1 3.22Å; R183-N185 PolarHBondContact NE-OD1 3.15Å; R183-N185 PolarHBondContact NH2-OD1 3.44Å
186V95.7Very high94.6Very high1 Ų134.2 Ų34.21%0.00616%0.155CC..  trans-138.2123.5175.5-173.30000107.9T166 L184 D190 L267 P270 I273 R275T166-V186 WeakPolarHBondContact CB-O 3.28Å; T166-V186 PolarHBondContact OG1-O 3.42Å; L184-V186 HydrophobicContact CD1-CB 4.34Å; L184-V186 HydrophobicContact CD1-CG2 3.92Å; L184-V186 HydrophobicContact CD2-CB 4.14Å; L184-V186 HydrophobicContact CG-CB 3.91Å; L184-V186 HydrophobicContact CG-CG2 4.05Å; L184-V186 PolarHBondContact O-N 2.98Å; V186-D190 HydrophobicContact CG1-CB 4.24Å; V186-L267 HydrophobicContact CG1-CD2 4.13Å; V186-P270 HydrophobicContact CG2-CB 4.09Å; V186-P270 HydrophobicContact CG2-CG 4.45Å; V186-I273 HydrophobicContact CB-CD1 4.35Å; V186-I273 HydrophobicContact CG1-CD1 3.69Å; V186-I273 HydrophobicContact CG2-CD1 3.85Å; V186-R275 HydrophobicContact CG2-CB 4.31Å; V186-R275 HydrophobicContact CG2-CG 4.13Å
187A96.6Very high95Very high0 Ų038.1 Ų38.10%017%0.171CC..  trans-153.6-159.4178.700000111.6D163 R189 D190 I191D163-A187 WeakPolarHBondContact O-CB 3.2Å; A187-R189 VanDerWaalsContact C-N 3.3Å; A187-R189 PolarHBondContact O-N 3.38Å; A187-D190 PolarHBondContact N-OD2 2.81Å; A187-D190 PolarHBondContact O-N 3.44Å; A187-I191 VanDerWaalsContact O-CG1 3.3Å; A187-I191 WeakPolarHBondContact O-CG1 3.49Å; A187-I191 PolarHBondContact O-N 2.92Å; A187-I191 VanDerWaalsContact O-N 3.08Å
188G97.1Very high95.3Very high1 Ų137.8 Ų37.81%0.0117%0.169CC..Hα-helixtrans-56.2-38.8-172.200000114.6G162 D163 T192 K219 S309G162-G188 PolarHBondContact O-N 3.2Å; D163-G188 PolarHBondContact O-N 2.81Å; D163-G188 VanDerWaalsContact O-N 3.14Å; G188-T192 PolarHBondContact O-N 2.73Å; G188-T192 PolarHBondContact O-OG1 2.86Å; G188-T192 VanDerWaalsContact O-OG1 3.06Å; G188-K219 PolarHBondContact O-NZ 2.9Å; G188-S309 WeakPolarHBondContact CA-OG 3.47Å; G188-S309 PolarHBondContact N-OG 3.36Å; G188-S309 VanDerWaalsContact N-OG 3.09Å
189R95.2Very high95.8Very high42 Ų4235.4 Ų35.416%0.15815%0.153CC..Hα-helixtrans-69.5-44.2-179.5-177.7169.2-63.8-133.83.4111.7D163 A187 I191 T192 R193 F212D163-R189 VanDerWaalsContact O-CB 3.24Å; D163-R189 WeakPolarHBondContact O-CB 3.47Å; D163-R189 PolarHBondContact O-N 2.97Å; D163-R189 PolarHBondContact OD1-N 2.96Å; D163-R189 IonicContact OD2-CZ 2.8Å; D163-R189 IonicContact OD2-NE 3.65Å; D163-R189 PolarHBondContact OD2-NE 3.18Å; D163-R189 VanDerWaalsContact OD2-NE 3.1Å; D163-R189 IonicContact OD2-NH2 2.69Å; D163-R189 PolarHBondContact OD2-NH2 3.32Å; A187-R189 VanDerWaalsContact C-N 3.3Å; A187-R189 PolarHBondContact O-N 3.38Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.04Å; R189-T192 PolarHBondContact O-N 3.23Å; R189-R193 WeakPolarHBondContact O-CG 3.45Å; R189-R193 PolarHBondContact O-N 3.21Å; R189-F212 HydrophobicContact CB-CZ 4.41Å; R189-F212 HydrophobicContact CG-CE2 4.24Å; R189-F212 HydrophobicContact CG-CZ 3.82Å
190D96.2Very high96Very high18 Ų1833.7 Ų33.710%0.09615%0.148CC..Hα-helixtrans-62.5-42.2176.3-53-83.5000110.7V186 A187 T192 R193 Y194 I273 R275V186-D190 HydrophobicContact CG1-CB 4.24Å; A187-D190 PolarHBondContact N-OD2 2.81Å; A187-D190 PolarHBondContact O-N 3.44Å; D190-T192 PolarHBondContact O-N 2.89Å; D190-R193 PolarHBondContact O-N 3.35Å; D190-Y194 WeakPolarHBondContact O-CB 3.36Å; D190-Y194 PolarHBondContact O-N 3.37Å; D190-I273 HydrophobicContact CB-CD1 3.85Å; D190-R275 IonicContact OD1-CZ 2.87Å; D190-R275 IonicContact OD1-NH2 3.61Å; D190-R275 PolarHBondContact OD1-NH2 3.38Å
191I98Very high96Very high0 Ų039.9 Ų39.90%018%0.181CC..Hα-helixtrans-63.3-41.7176.8-59.7163.4000111.2A187 R189 R193 Y194 L195 K219 A263 P264 L267 Y312A187-I191 VanDerWaalsContact O-CG1 3.3Å; A187-I191 WeakPolarHBondContact O-CG1 3.49Å; A187-I191 PolarHBondContact O-N 2.92Å; A187-I191 VanDerWaalsContact O-N 3.08Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.04Å; I191-R193 PolarHBondContact O-N 3.33Å; I191-Y194 PolarHBondContact O-N 3Å; I191-L195 WeakPolarHBondContact O-CB 3.47Å; I191-L195 PolarHBondContact O-N 3.02Å; I191-K219 HydrophobicContact CB-CD 4.19Å; I191-K219 HydrophobicContact CG2-CD 3.76Å; I191-K219 HydrophobicContact CG2-CG 4.26Å; I191-A263 HydrophobicContact CG2-CB 4.02Å; I191-P264 HydrophobicContact CG2-CG 4.44Å; I191-L267 HydrophobicContact CD1-CD1 3.7Å; I191-L267 HydrophobicContact CD1-CD2 4.05Å; I191-L267 HydrophobicContact CD1-CG 3.69Å; I191-L267 HydrophobicContact CG1-CG 4.42Å; I191-Y312 HydrophobicContact CD1-CE2 3.77Å; I191-Y312 WeakPolarHBondContact CD1-OH 3.39Å; I191-Y312 WeakPolarHBondContact CG2-OH 3.46Å
192T97.5Very high95.9Very high0 Ų044 Ų440%020%0.195CC..Hα-helixtrans-61.1-44.5175.1-59.10000111.2G188 R189 D190 Y194 L195 I196 F212 I215 R216 K219G188-T192 PolarHBondContact O-N 2.73Å; G188-T192 PolarHBondContact O-OG1 2.86Å; G188-T192 VanDerWaalsContact O-OG1 3.06Å; R189-T192 PolarHBondContact O-N 3.23Å; D190-T192 PolarHBondContact O-N 2.89Å; T192-Y194 VanDerWaalsContact C-N 3.32Å; T192-Y194 PolarHBondContact O-N 3.27Å; T192-L195 PolarHBondContact O-N 3.39Å; T192-I196 HydrophobicContact CG2-CD1 4.47Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 2.79Å; T192-I196 VanDerWaalsContact O-N 3.09Å; T192-F212 HydrophobicContact CG2-CD1 4.34Å; T192-F212 HydrophobicContact CG2-CD2 3.79Å; T192-F212 HydrophobicContact CG2-CE1 4.07Å; T192-F212 HydrophobicContact CG2-CE2 3.45Å; T192-F212 VanDerWaalsContact CG2-CE2 3.45Å; T192-F212 HydrophobicContact CG2-CG 4.21Å; T192-F212 HydrophobicContact CG2-CZ 3.6Å; T192-F212 WeakPolarHBondContact CG2-O 3.5Å; T192-I215 HydrophobicContact CG2-CB 4.32Å; T192-I215 HydrophobicContact CG2-CG2 4.23Å; T192-R216 HydrophobicContact CG2-CB 3.97Å; T192-K219 PolarHBondContact OG1-NZ 3.02Å
193R96.2Very high95.8Very high120 Ų12042.7 Ų42.745%0.45321%0.209SC..Hα-helixtrans-63.2-39.5176.5-69-176.4-179.2178.4-2.2111.9R189 D190 I191 I196 K197 F212R189-R193 WeakPolarHBondContact O-CG 3.45Å; R189-R193 PolarHBondContact O-N 3.21Å; D190-R193 PolarHBondContact O-N 3.35Å; I191-R193 PolarHBondContact O-N 3.33Å; R193-I196 WeakPolarHBondContact O-CB 3.44Å; R193-I196 PolarHBondContact O-N 3.26Å; R193-K197 PolarHBondContact O-N 3.46Å; R193-K197 VanDerWaalsContact O-N 3.1Å; R193-F212 HydrophobicContact CG-CD2 4.44Å; R193-F212 HydrophobicContact CG-CE2 3.88Å
194Y97.5Very high95.9Very high29 Ų2941.5 Ų41.511%0.11421%0.206CC..Hα-helixtrans-67.3-40.5178-173.7-146.2000111.7D190 I191 T192 I196 K197 L198 G262 A263 A266 L272 I273D190-Y194 WeakPolarHBondContact O-CB 3.36Å; D190-Y194 PolarHBondContact O-N 3.37Å; I191-Y194 PolarHBondContact O-N 3Å; T192-Y194 VanDerWaalsContact C-N 3.32Å; T192-Y194 PolarHBondContact O-N 3.27Å; Y194-I196 VanDerWaalsContact C-N 3.29Å; Y194-I196 PolarHBondContact O-N 3.04Å; Y194-K197 HydrophobicContact CD2-CB 4.36Å; Y194-K197 HydrophobicContact CD2-CD 4.27Å; Y194-K197 HydrophobicContact CE2-CD 4.48Å; Y194-K197 WeakPolarHBondContact O-CA 3.36Å; Y194-K197 WeakPolarHBondContact O-CB 3.41Å; Y194-K197 PolarHBondContact O-N 3.34Å; Y194-L198 HydrophobicContact CD1-CD1 4.3Å; Y194-L198 HydrophobicContact CD2-CG 4.15Å; Y194-L198 HydrophobicContact CE1-CD1 4.04Å; Y194-L198 HydrophobicContact CE2-CD1 4.28Å; Y194-L198 HydrophobicContact CE2-CD2 3.79Å; Y194-L198 HydrophobicContact CE2-CG 3.85Å; Y194-L198 WeakPolarHBondContact O-CG 3.46Å; Y194-L198 PolarHBondContact O-N 3.28Å; Y194-G262 VanDerWaalsContact CE1-O 3.29Å; Y194-G262 WeakPolarHBondContact CE1-O 3.23Å; Y194-A263 HydrophobicContact CD1-CB 4.44Å; Y194-A266 HydrophobicContact CD1-CB 3.84Å; Y194-A266 HydrophobicContact CE1-CB 4.2Å; Y194-L272 HydrophobicContact CE1-CB 4.01Å; Y194-L272 HydrophobicContact CE1-CD1 4.31Å; Y194-I273 HydrophobicContact CD1-CG2 3.68Å; Y194-I273 HydrophobicContact CD2-CG2 3.66Å; Y194-I273 HydrophobicContact CE1-CG2 4.27Å; Y194-I273 HydrophobicContact CE2-CG2 4.28Å; Y194-I273 HydrophobicContact CG-CG2 3.34Å
195L97.9Very high95.8Very high0 Ų045.5 Ų45.50%024%0.24CC..Hα-helixtrans-59.2-40.8173.5-17556000111.6I191 T192 K197 L198 L199 I215 M218 K219 E259 A263I191-L195 WeakPolarHBondContact O-CB 3.47Å; I191-L195 PolarHBondContact O-N 3.02Å; T192-L195 PolarHBondContact O-N 3.39Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.64Å; L195-L198 PolarHBondContact O-N 2.93Å; L195-L199 HydrophobicContact CD1-CG 4.33Å; L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 2.95Å; L195-I215 HydrophobicContact CB-CG2 3.99Å; L195-I215 HydrophobicContact CD2-CG2 3.69Å; L195-I215 HydrophobicContact CG-CG2 3.73Å; L195-M218 HydrophobicContact CD1-CE 4.12Å; L195-M218 HydrophobicContact CD2-CE 3.6Å; L195-M218 HydrophobicContact CG-CE 3.92Å; L195-K219 HydrophobicContact CD2-CB 3.74Å; L195-K219 HydrophobicContact CD2-CG 4.3Å; L195-E259 HydrophobicContact CD1-CB 3.94Å; L195-A263 HydrophobicContact CB-CB 3.81Å; L195-A263 HydrophobicContact CD1-CB 3.96Å; L195-A263 HydrophobicContact CG-CB 4.37Å
196I97.2Very high95.9Very high4 Ų443.6 Ų43.62%0.02123%0.229CC..Hα-helixtrans-57.4-46.6172-65.8157.9000111T192 R193 Y194 L198 L199 L200 F206 Q208 F212 I215T192-I196 HydrophobicContact CG2-CD1 4.47Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 2.79Å; T192-I196 VanDerWaalsContact O-N 3.09Å; R193-I196 WeakPolarHBondContact O-CB 3.44Å; R193-I196 PolarHBondContact O-N 3.26Å; Y194-I196 VanDerWaalsContact C-N 3.29Å; Y194-I196 PolarHBondContact O-N 3.04Å; I196-L198 PolarHBondContact O-N 2.93Å; I196-L199 PolarHBondContact O-N 2.93Å; I196-L200 PolarHBondContact O-N 2.9Å; I196-F206 HydrophobicContact CG2-CB 4.16Å; I196-Q208 HydrophobicContact CG2-CG 4.09Å; I196-F212 HydrophobicContact CD1-CD2 4.04Å; I196-I215 HydrophobicContact CG1-CB 3.94Å; I196-I215 HydrophobicContact CG1-CG1 3.84Å; I196-I215 HydrophobicContact CG1-CG2 3.82Å
197K96.2Very high95.4Very high93 Ų9347.7 Ų47.740%0.40425%0.251SS..Hα-helixtrans-60-43.8177.3-175.4-178.6178.8-176.70111.7R193 Y194 L195 L200 L201 D274R193-K197 PolarHBondContact O-N 3.46Å; R193-K197 VanDerWaalsContact O-N 3.1Å; Y194-K197 HydrophobicContact CD2-CB 4.36Å; Y194-K197 HydrophobicContact CD2-CD 4.27Å; Y194-K197 HydrophobicContact CE2-CD 4.48Å; Y194-K197 WeakPolarHBondContact O-CA 3.36Å; Y194-K197 WeakPolarHBondContact O-CB 3.41Å; Y194-K197 PolarHBondContact O-N 3.34Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.64Å; K197-L200 WeakPolarHBondContact O-CB 3.42Å; K197-L200 PolarHBondContact O-N 2.98Å; K197-L201 WeakPolarHBondContact O-CG 3.33Å; K197-L201 PolarHBondContact O-N 2.79Å; K197-D274 IonicContact NZ-OD2 2.63Å
198L96.9Very high94.8Very high27 Ų2753.2 Ų53.214%0.14128%0.276CS..Hα-helixtrans-65.4-41.8178-67.2176.4000112.3Y194 L195 I196 L200 L201 R202 E259 A263Y194-L198 HydrophobicContact CD1-CD1 4.3Å; Y194-L198 HydrophobicContact CD2-CG 4.15Å; Y194-L198 HydrophobicContact CE1-CD1 4.04Å; Y194-L198 HydrophobicContact CE2-CD1 4.28Å; Y194-L198 HydrophobicContact CE2-CD2 3.79Å; Y194-L198 HydrophobicContact CE2-CG 3.85Å; Y194-L198 WeakPolarHBondContact O-CG 3.46Å; Y194-L198 PolarHBondContact O-N 3.28Å; L195-L198 PolarHBondContact O-N 2.93Å; I196-L198 PolarHBondContact O-N 2.93Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.96Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-R202 PolarHBondContact O-N 3.04Å; L198-R202 VanDerWaalsContact O-N 3.16Å; L198-E259 HydrophobicContact CB-CB 4Å; L198-E259 HydrophobicContact CB-CG 3.78Å; L198-E259 HydrophobicContact CD1-CB 4.18Å; L198-A263 HydrophobicContact CD1-CB 4.02Å
199L96.8Very high94Very high0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-65.3-35.1176.3-66.4169.9000112.3L195 I196 R202 G203 Y204 F206 I215 M218 V256L195-L199 HydrophobicContact CD1-CG 4.33Å; L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 2.95Å; I196-L199 PolarHBondContact O-N 2.93Å; L199-R202 WeakPolarHBondContact O-CB 3.31Å; L199-R202 PolarHBondContact O-N 2.85Å; L199-G203 PolarHBondContact O-N 2.64Å; L199-Y204 HydrophobicContact CD2-CD2 4.23Å; L199-Y204 PolarHBondContact O-N 2.86Å; L199-F206 HydrophobicContact CB-CD2 3.9Å; L199-F206 HydrophobicContact CB-CE2 4.22Å; L199-F206 HydrophobicContact CD1-CD2 3.81Å; L199-F206 HydrophobicContact CD1-CE2 3.81Å; L199-F206 HydrophobicContact CG-CD2 4.49Å; L199-I215 HydrophobicContact CD1-CD1 3.61Å; L199-I215 HydrophobicContact CD1-CG1 4.31Å; L199-I215 HydrophobicContact CD1-CG2 4.23Å; L199-M218 HydrophobicContact CD1-CE 3.6Å; L199-M218 HydrophobicContact CD2-CE 4.18Å; L199-M218 HydrophobicContact CG-CE 4.37Å; L199-V256 HydrophobicContact CD2-CG1 3.52Å
200L95.7Very high93.4Very high97 Ų9759.3 Ų59.351%0.50833%0.325SS..Hα-helixtrans-61.5-44.2173.4-178.765000111.5I196 K197 L198 R202 G203 Y204I196-L200 PolarHBondContact O-N 2.9Å; K197-L200 WeakPolarHBondContact O-CB 3.42Å; K197-L200 PolarHBondContact O-N 2.98Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.96Å; L200-R202 PolarHBondContact O-N 3.36Å; L200-G203 WeakPolarHBondContact O-CA 3.34Å; L200-G203 PolarHBondContact O-N 3.03Å; L200-Y204 WeakPolarHBondContact CA-O 3.4Å
201L94.7Very high93.1Very high141 Ų14160.6 Ų60.674%0.73833%0.332SS*.Hα-helixtrans-63.3-28.5176.1-66.1173.9000112.7K197 L198 G203K197-L201 WeakPolarHBondContact O-CG 3.33Å; K197-L201 PolarHBondContact O-N 2.79Å; L198-L201 PolarHBondContact O-N 3.03Å; L201-G203 PolarHBondContact O-N 2.6Å
202R93.3Very high92.8Very high95 Ų9561.3 Ų61.336%0.35834%0.335SS..THydrogen-bonded Turntrans-77.1-7.3172.5-173149.3178.1156.78114L198 L199 L200 Y204 K255 E259L198-R202 PolarHBondContact O-N 3.04Å; L198-R202 VanDerWaalsContact O-N 3.16Å; L199-R202 WeakPolarHBondContact O-CB 3.31Å; L199-R202 PolarHBondContact O-N 2.85Å; L200-R202 PolarHBondContact O-N 3.36Å; R202-Y204 HydrophobicContact CB-CD2 4.41Å; R202-Y204 HydrophobicContact CG-CD2 4.27Å; R202-Y204 HydrophobicContact CG-CE2 4.05Å; R202-K255 PolarHBondContact NE-O 3.37Å; R202-K255 VanDerWaalsContact NE-O 3.12Å; R202-E259 WeakPolarHBondContact CD-OE1 3.16Å; R202-E259 IonicContact CZ-OE1 2.62Å; R202-E259 IonicContact CZ-OE2 2.63Å; R202-E259 IonicContact NE-OE1 3.22Å; R202-E259 IonicContact NH1-OE1 2.88Å; R202-E259 PolarHBondContact NH1-OE1 3.33Å; R202-E259 IonicContact NH1-OE2 3.48Å; R202-E259 PolarHBondContact NH1-OE2 2.72Å
203G94.8Very high92.4Very high62 Ų6262.9 Ų62.964%0.63934%0.342SS*.THydrogen-bonded Turntrans98.510.1179.200000115L199 L200 L201L199-G203 PolarHBondContact O-N 2.64Å; L200-G203 WeakPolarHBondContact O-CA 3.34Å; L200-G203 PolarHBondContact O-N 3.03Å; L201-G203 PolarHBondContact O-N 2.6Å
204Y94.7Very high92.3Very high63 Ų6358.3 Ų58.325%0.24733%0.328CS..  trans-94.1109172.9-60.6-58.9000111L199 L200 R202 F206 I254 K255L199-Y204 HydrophobicContact CD2-CD2 4.23Å; L199-Y204 PolarHBondContact O-N 2.86Å; L200-Y204 WeakPolarHBondContact CA-O 3.4Å; R202-Y204 HydrophobicContact CB-CD2 4.41Å; R202-Y204 HydrophobicContact CG-CD2 4.27Å; R202-Y204 HydrophobicContact CG-CE2 4.05Å; Y204-F206 VanDerWaalsContact C-N 3.29Å; Y204-F206 HydrophobicContact CG-CE2 4.2Å; Y204-F206 PolarHBondContact O-N 3.09Å; Y204-I254 HydrophobicContact CD1-CB 4.38Å; Y204-I254 HydrophobicContact CD1-CG2 3.77Å; Y204-I254 HydrophobicContact CD2-CB 4.44Å; Y204-I254 HydrophobicContact CE1-CB 3.89Å; Y204-I254 HydrophobicContact CE1-CG2 3.56Å; Y204-I254 HydrophobicContact CE2-CB 3.94Å; Y204-I254 HydrophobicContact CE2-CG2 4.37Å; Y204-I254 HydrophobicContact CG-CG2 4.28Å; Y204-K255 WeakPolarHBondContact CE2-O 3.34Å; Y204-K255 PolarHBondContact OH-N 3.42Å
205A92.8Very high92.2Very high95 Ų9557 Ų5779%0.78532%0.322SS*.  trans-77.969.3-176.100000113.1
206F91.9Very high92.1Very high28 Ų2858.1 Ų58.112%0.12333%0.327CS..  trans-84.2140172.4-67.2-66.8000112I196 L199 Y204 D211 I215 L248 I254I196-F206 HydrophobicContact CG2-CB 4.16Å; L199-F206 HydrophobicContact CB-CD2 3.9Å; L199-F206 HydrophobicContact CB-CE2 4.22Å; L199-F206 HydrophobicContact CD1-CD2 3.81Å; L199-F206 HydrophobicContact CD1-CE2 3.81Å; L199-F206 HydrophobicContact CG-CD2 4.49Å; Y204-F206 VanDerWaalsContact C-N 3.29Å; Y204-F206 HydrophobicContact CG-CE2 4.2Å; Y204-F206 PolarHBondContact O-N 3.09Å; F206-D211 WeakPolarHBondContact CA-OD2 3.36Å; F206-D211 HydrophobicContact CB-CB 4.06Å; F206-D211 HydrophobicContact CD1-CB 3.72Å; F206-D211 HydrophobicContact CG-CB 4.29Å; F206-I215 HydrophobicContact CD1-CD1 4.19Å; F206-I215 HydrophobicContact CD2-CD1 4.01Å; F206-I215 HydrophobicContact CE1-CD1 4.14Å; F206-I215 HydrophobicContact CE2-CD1 3.96Å; F206-I215 HydrophobicContact CG-CD1 4.12Å; F206-I215 HydrophobicContact CG-CG1 4.41Å; F206-I215 HydrophobicContact CZ-CD1 4.03Å; F206-L248 HydrophobicContact CE1-CD1 3.8Å; F206-L248 HydrophobicContact CE1-CD2 3.96Å; F206-L248 HydrophobicContact CZ-CD1 3.73Å; F206-L248 HydrophobicContact CZ-CD2 3.78Å; F206-L248 HydrophobicContact CZ-CG 4.4Å; F206-I254 HydrophobicContact CE2-CD1 4.09Å; F206-I254 HydrophobicContact CZ-CD1 4.01Å; F206-I254 HydrophobicContact CZ-CG2 4.49Å
207N87.2Confident92Very high87 Ų8762.3 Ų62.347%0.46535%0.346SS..  trans-89137.4173.2-177.8-79.6000111T209 A210 D211N207-T209 PolarHBondContact O-N 3.04Å; N207-T209 VanDerWaalsContact O-N 3.14Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 2.9Å; N207-A210 HydrophobicContact CB-CB 4.1Å; N207-A210 PolarHBondContact OD1-N 3.3Å; N207-A210 VanDerWaalsContact OD1-N 3.08Å; N207-D211 PolarHBondContact N-OD2 3.11Å; N207-D211 WeakPolarHBondContact O-CB 3.42Å; N207-D211 PolarHBondContact O-N 3.15Å; N207-D211 VanDerWaalsContact O-N 3.15Å
208Q82.8Confident92Very high115 Ų11557.9 Ų57.954%0.53733%0.327SS..THydrogen-bonded Turntrans-64.2-20.2-175.9-66.3-171.98.900115I196 F212I196-Q208 HydrophobicContact CG2-CG 4.09Å; Q208-F212 WeakPolarHBondContact O-CB 3.33Å
209T80.5Confident92.1Very high106 Ų10656.9 Ų56.965%0.6532%0.321SS*.THydrogen-bonded Turntrans-104.1-50-178.2-54.60000111.4R67 N207R67-T209 PolarHBondContact NH2-O 3.13Å; N207-T209 PolarHBondContact O-N 3.04Å; N207-T209 VanDerWaalsContact O-N 3.14Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 2.9Å
210A83.2Confident92.1Very high66 Ų6661.5 Ų61.555%0.54534%0.343SS..THydrogen-bonded Turntrans-69.4-42.3-17500000111.9N207N207-A210 HydrophobicContact CB-CB 4.1Å; N207-A210 PolarHBondContact OD1-N 3.3Å; N207-A210 VanDerWaalsContact OD1-N 3.08Å
211D89.7Confident92.1Very high45 Ų4564.4 Ų64.424%0.24135%0.352CS..SBendtrans-96.7-1.1-174.1-57-65.1000113.2F206 N207 E213 T214 I215F206-D211 WeakPolarHBondContact CA-OD2 3.36Å; F206-D211 HydrophobicContact CB-CB 4.06Å; F206-D211 HydrophobicContact CD1-CB 3.72Å; F206-D211 HydrophobicContact CG-CB 4.29Å; N207-D211 PolarHBondContact N-OD2 3.11Å; N207-D211 WeakPolarHBondContact O-CB 3.42Å; N207-D211 PolarHBondContact O-N 3.15Å; N207-D211 VanDerWaalsContact O-N 3.15Å; D211-E213 PolarHBondContact O-N 3.15Å; D211-E213 VanDerWaalsContact O-N 3.11Å; D211-T214 PolarHBondContact O-N 2.9Å; D211-T214 VanDerWaalsContact O-N 3.13Å; D211-I215 HydrophobicContact CB-CG1 4.45Å; D211-I215 WeakPolarHBondContact O-CG1 3.49Å; D211-I215 PolarHBondContact O-N 2.84Å
212F91.9Very high92.3Very high14 Ų1458.6 Ų58.66%0.06132%0.321CS..Hα-helixtrans-49.9-44.7-174-173.2-92.3000112.9R189 T192 R193 I196 Q208 I215 R216R189-F212 HydrophobicContact CB-CZ 4.41Å; R189-F212 HydrophobicContact CG-CE2 4.24Å; R189-F212 HydrophobicContact CG-CZ 3.82Å; T192-F212 HydrophobicContact CG2-CD1 4.34Å; T192-F212 HydrophobicContact CG2-CD2 3.79Å; T192-F212 HydrophobicContact CG2-CE1 4.07Å; T192-F212 HydrophobicContact CG2-CE2 3.45Å; T192-F212 VanDerWaalsContact CG2-CE2 3.45Å; T192-F212 HydrophobicContact CG2-CG 4.21Å; T192-F212 HydrophobicContact CG2-CZ 3.6Å; T192-F212 WeakPolarHBondContact CG2-O 3.5Å; R193-F212 HydrophobicContact CG-CD2 4.44Å; R193-F212 HydrophobicContact CG-CE2 3.88Å; I196-F212 HydrophobicContact CD1-CD2 4.04Å; Q208-F212 WeakPolarHBondContact O-CB 3.33Å; F212-I215 PolarHBondContact O-N 3.38Å; F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.28Å
213E89.4Confident92.5Very high34 Ų3454.3 Ų54.316%0.15931%0.306CS..Hα-helixtrans-73.3-40-175.2-172.854.3-151.600112.5R67 D211 I215 R216 Q217R67-E213 VanDerWaalsContact NH1-CB 3.32Å; D211-E213 PolarHBondContact O-N 3.15Å; D211-E213 VanDerWaalsContact O-N 3.11Å; E213-I215 VanDerWaalsContact C-N 3.3Å; E213-I215 PolarHBondContact O-N 3.46Å; E213-R216 VanDerWaalsContact CD-NE 3.3Å; E213-R216 WeakPolarHBondContact O-CB 3.41Å; E213-R216 PolarHBondContact O-N 3.13Å; E213-R216 IonicContact OE1-CZ 2.7Å; E213-R216 IonicContact OE1-NE 2.69Å; E213-R216 PolarHBondContact OE1-NE 3.07Å; E213-R216 IonicContact OE1-NH2 3.32Å; E213-R216 PolarHBondContact OE1-NH2 3.17Å; E213-R216 IonicContact OE2-CZ 2.6Å; E213-R216 IonicContact OE2-NE 3.1Å; E213-R216 PolarHBondContact OE2-NE 3.08Å; E213-Q217 WeakPolarHBondContact O-CG 3.44Å; E213-Q217 PolarHBondContact O-N 3.01Å
214T92.3Very high92.7Very high24 Ų2453.1 Ų53.115%0.14728%0.282CS..Hα-helixtrans-60-43.9172.6-56.20000110.6D211 Q217 M218 Y246 L248 P249D211-T214 PolarHBondContact O-N 2.9Å; D211-T214 VanDerWaalsContact O-N 3.13Å; T214-Q217 PolarHBondContact O-N 2.63Å; T214-M218 PolarHBondContact O-N 3.19Å; T214-Y246 HydrophobicContact CG2-CE1 4.48Å; T214-L248 HydrophobicContact CG2-CD2 3.92Å; T214-P249 HydrophobicContact CG2-CG 3.97Å
215I96.3Very high92.9Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-72-33.9177.9-57.3-49.6000111.8T192 L195 I196 L199 F206 D211 F212 E213 Q217 M218 K219T192-I215 HydrophobicContact CG2-CB 4.32Å; T192-I215 HydrophobicContact CG2-CG2 4.23Å; L195-I215 HydrophobicContact CB-CG2 3.99Å; L195-I215 HydrophobicContact CD2-CG2 3.69Å; L195-I215 HydrophobicContact CG-CG2 3.73Å; I196-I215 HydrophobicContact CG1-CB 3.94Å; I196-I215 HydrophobicContact CG1-CG1 3.84Å; I196-I215 HydrophobicContact CG1-CG2 3.82Å; L199-I215 HydrophobicContact CD1-CD1 3.61Å; L199-I215 HydrophobicContact CD1-CG1 4.31Å; L199-I215 HydrophobicContact CD1-CG2 4.23Å; F206-I215 HydrophobicContact CD1-CD1 4.19Å; F206-I215 HydrophobicContact CD2-CD1 4.01Å; F206-I215 HydrophobicContact CE1-CD1 4.14Å; F206-I215 HydrophobicContact CE2-CD1 3.96Å; F206-I215 HydrophobicContact CG-CD1 4.12Å; F206-I215 HydrophobicContact CG-CG1 4.41Å; F206-I215 HydrophobicContact CZ-CD1 4.03Å; D211-I215 HydrophobicContact CB-CG1 4.45Å; D211-I215 WeakPolarHBondContact O-CG1 3.49Å; D211-I215 PolarHBondContact O-N 2.84Å; F212-I215 PolarHBondContact O-N 3.38Å; E213-I215 VanDerWaalsContact C-N 3.3Å; E213-I215 PolarHBondContact O-N 3.46Å; I215-Q217 PolarHBondContact O-N 3.24Å; I215-M218 HydrophobicContact CD1-CE 4.41Å; I215-M218 HydrophobicContact CG2-CE 4.48Å; I215-M218 PolarHBondContact O-N 3.07Å; I215-K219 WeakPolarHBondContact O-CB 3.45Å; I215-K219 PolarHBondContact O-N 3.36Å
216R95.7Very high93.1Very high25 Ų2545.8 Ų45.89%0.09424%0.235CC..Hα-helixtrans-59.7-45.8172.6-172.7-166.769.472.20.8111.1T192 F212 E213 K219 E220T192-R216 HydrophobicContact CG2-CB 3.97Å; F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.28Å; E213-R216 VanDerWaalsContact CD-NE 3.3Å; E213-R216 WeakPolarHBondContact O-CB 3.41Å; E213-R216 PolarHBondContact O-N 3.13Å; E213-R216 IonicContact OE1-CZ 2.7Å; E213-R216 IonicContact OE1-NE 2.69Å; E213-R216 PolarHBondContact OE1-NE 3.07Å; E213-R216 IonicContact OE1-NH2 3.32Å; E213-R216 PolarHBondContact OE1-NH2 3.17Å; E213-R216 IonicContact OE2-CZ 2.6Å; E213-R216 IonicContact OE2-NE 3.1Å; E213-R216 PolarHBondContact OE2-NE 3.08Å; R216-K219 WeakPolarHBondContact O-CB 3.49Å; R216-K219 PolarHBondContact O-N 3.28Å; R216-E220 IonicContact CZ-OE1 2.76Å; R216-E220 IonicContact NH1-OE1 3.13Å; R216-E220 PolarHBondContact NH1-OE1 3.2Å; R216-E220 IonicContact NH1-OE2 2.97Å; R216-E220 PolarHBondContact NH1-OE2 3.2Å; R216-E220 WeakPolarHBondContact O-CG 3.32Å; R216-E220 PolarHBondContact O-N 2.95Å
217Q94.3Very high93.4Very high91 Ų9150.4 Ų50.443%0.42525%0.252SS..Hα-helixtrans-65.6-41.6177-69.3175.710.400111.7E213 T214 I215 K219 E220 K221E213-Q217 WeakPolarHBondContact O-CG 3.44Å; E213-Q217 PolarHBondContact O-N 3.01Å; T214-Q217 PolarHBondContact O-N 2.63Å; I215-Q217 PolarHBondContact O-N 3.24Å; Q217-K219 VanDerWaalsContact C-N 3.34Å; Q217-K219 PolarHBondContact O-N 2.92Å; Q217-E220 PolarHBondContact O-N 3.03Å; Q217-K221 WeakPolarHBondContact O-CB 3.39Å; Q217-K221 PolarHBondContact O-N 2.89Å
218M97Very high93.8Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-60-45.1174.6-170.8-17678.700111.6L195 L199 T214 I215 K221 L222 Y246 I254 V256L195-M218 HydrophobicContact CD1-CE 4.12Å; L195-M218 HydrophobicContact CD2-CE 3.6Å; L195-M218 HydrophobicContact CG-CE 3.92Å; L199-M218 HydrophobicContact CD1-CE 3.6Å; L199-M218 HydrophobicContact CD2-CE 4.18Å; L199-M218 HydrophobicContact CG-CE 4.37Å; T214-M218 PolarHBondContact O-N 3.19Å; I215-M218 HydrophobicContact CD1-CE 4.41Å; I215-M218 HydrophobicContact CG2-CE 4.48Å; I215-M218 PolarHBondContact O-N 3.07Å; M218-K221 PolarHBondContact O-N 3.44Å; M218-L222 HydrophobicContact CG-CD1 3.87Å; M218-L222 HydrophobicContact CG-CG 4.39Å; M218-L222 WeakPolarHBondContact O-CB 3.39Å; M218-L222 PolarHBondContact O-N 3.28Å; M218-Y246 HydrophobicContact CB-CD1 4.35Å; M218-Y246 HydrophobicContact CB-CD2 4.33Å; M218-Y246 HydrophobicContact CB-CE1 3.99Å; M218-Y246 HydrophobicContact CB-CE2 3.94Å; M218-Y246 HydrophobicContact CG-CD1 3.99Å; M218-Y246 HydrophobicContact CG-CD2 3.74Å; M218-Y246 HydrophobicContact CG-CE1 4.13Å; M218-Y246 HydrophobicContact CG-CE2 3.87Å; M218-Y246 HydrophobicContact CG-CG 3.79Å; M218-Y246 HydrophobicContact SD-CD1 3.99Å; M218-Y246 HydrophobicContact SD-CE1 4.49Å; M218-Y246 HydrophobicContact SD-CG 4.01Å; M218-I254 HydrophobicContact SD-CD1 3.8Å; M218-V256 HydrophobicContact CE-CG1 4.13Å; M218-V256 HydrophobicContact SD-CG1 4.05Å
219K98.1Very high94.4Very high6 Ų643.8 Ų43.83%0.02622%0.221CC..Hα-helixtrans-55.7-52.7175.4-179.2-162.476.7-178.40111.1G188 I191 T192 L195 I215 R216 Q217 K221 L222 C223 Y312G188-K219 PolarHBondContact O-NZ 2.9Å; I191-K219 HydrophobicContact CB-CD 4.19Å; I191-K219 HydrophobicContact CG2-CD 3.76Å; I191-K219 HydrophobicContact CG2-CG 4.26Å; T192-K219 PolarHBondContact OG1-NZ 3.02Å; L195-K219 HydrophobicContact CD2-CB 3.74Å; L195-K219 HydrophobicContact CD2-CG 4.3Å; I215-K219 WeakPolarHBondContact O-CB 3.45Å; I215-K219 PolarHBondContact O-N 3.36Å; R216-K219 WeakPolarHBondContact O-CB 3.49Å; R216-K219 PolarHBondContact O-N 3.28Å; Q217-K219 VanDerWaalsContact C-N 3.34Å; Q217-K219 PolarHBondContact O-N 2.92Å; K219-K221 PolarHBondContact O-N 2.91Å; K219-L222 PolarHBondContact O-N 3.24Å; K219-C223 HydrophobicContact CG-CB 4.19Å; K219-C223 WeakPolarHBondContact O-CB 3.48Å; K219-C223 PolarHBondContact O-N 2.89Å; K219-Y312 VanDerWaalsContact CD-OH 3.24Å; K219-Y312 WeakPolarHBondContact CD-OH 3.48Å; K219-Y312 WeakPolarHBondContact CE-OH 3.49Å; K219-Y312 HydrophobicContact CG-CE1 4.09Å
220E96.8Very high95.1Very high98 Ų9845.1 Ų45.146%0.45822%0.22SC..Hα-helixtrans-62.2-30.6-179.5-73.6177.1-170.400113R216 Q217R216-E220 IonicContact CZ-OE1 2.76Å; R216-E220 IonicContact NH1-OE1 3.13Å; R216-E220 PolarHBondContact NH1-OE1 3.2Å; R216-E220 IonicContact NH1-OE2 2.97Å; R216-E220 PolarHBondContact NH1-OE2 3.2Å; R216-E220 WeakPolarHBondContact O-CG 3.32Å; R216-E220 PolarHBondContact O-N 2.95Å; Q217-E220 PolarHBondContact O-N 3.03Å
221K97.3Very high95.7Very high157 Ų15747.7 Ų47.768%0.68322%0.221SC*.Hα-helixtrans-83.5-38.2-179.4-171178.4-176.6175.50113.7Q217 M218 K219 Y246Q217-K221 WeakPolarHBondContact O-CB 3.39Å; Q217-K221 PolarHBondContact O-N 2.89Å; M218-K221 PolarHBondContact O-N 3.44Å; K219-K221 PolarHBondContact O-N 2.91Å; K221-Y246 HydrophobicContact CD-CE2 4.05Å
222L98Very high96Very high19 Ų1947.3 Ų47.310%0.09922%0.218CC..Hα-helixtrans-117.4-27.9-163.9-61.4-173.2000115M218 K219 K244 Y246 V256 L260M218-L222 HydrophobicContact CG-CD1 3.87Å; M218-L222 HydrophobicContact CG-CG 4.39Å; M218-L222 WeakPolarHBondContact O-CB 3.39Å; M218-L222 PolarHBondContact O-N 3.28Å; K219-L222 PolarHBondContact O-N 3.24Å; L222-K244 HydrophobicContact CD2-CD 4Å; L222-Y246 HydrophobicContact CD1-CD2 3.74Å; L222-Y246 HydrophobicContact CD1-CG 4.21Å; L222-Y246 HydrophobicContact CG-CD2 4.31Å; L222-V256 HydrophobicContact CD1-CG2 3.77Å; L222-L260 HydrophobicContact CB-CD1 4.03Å; L222-L260 HydrophobicContact CB-CD2 3.57Å; L222-L260 HydrophobicContact CB-CG 4.43Å; L222-L260 HydrophobicContact CD1-CD2 4.38Å
223C98.5Very high96.2Very high5 Ų551.3 Ų51.33%0.03424%0.236CC..  trans-73.1152-176.4-73.20000112.1K219 L260 P264 Y312K219-C223 HydrophobicContact CG-CB 4.19Å; K219-C223 WeakPolarHBondContact O-CB 3.48Å; K219-C223 PolarHBondContact O-N 2.89Å; C223-L260 WeakPolarHBondContact CA-O 3.38Å; C223-L260 WeakPolarHBondContact CB-O 3.23Å; C223-L260 PolarHBondContact SG-O 2.89Å; C223-P264 HydrophobicContact CB-CG 3.76Å; C223-Y312 HydrophobicContact CB-CD1 4.02Å; C223-Y312 HydrophobicContact CB-CE1 3.8Å
224Y98.6Very high96.6Very high37 Ų3753.3 Ų53.315%0.14525%0.248CC..  trans-149.7166.4178.463.5-80000109.5E232 L260 F261 P264Y224-E232 PolarHBondContact OH-OE2 2.84Å; Y224-L260 HydrophobicContact CD1-CB 4.31Å; Y224-L260 HydrophobicContact CE1-CB 4.02Å; Y224-L260 PolarHBondContact N-O 3.1Å; Y224-F261 HydrophobicContact CD2-CB 4.23Å; Y224-F261 HydrophobicContact CE1-CB 4.19Å; Y224-F261 HydrophobicContact CE2-CB 3.82Å; Y224-F261 WeakPolarHBondContact O-CA 3.46Å; Y224-F261 WeakPolarHBondContact OH-CD1 3.34Å; Y224-P264 WeakPolarHBondContact O-CG 3.19Å
225V98.6Very high96.7Very high4 Ų455 Ų552%0.02426%0.256CS..  trans-100.5123.4173.8169.80000108.5P264 F268 Y312 P313 L315 R318V225-P264 HydrophobicContact CG2-CB 3.81Å; V225-F268 HydrophobicContact CB-CE2 4.45Å; V225-F268 HydrophobicContact CG1-CD2 4.38Å; V225-F268 HydrophobicContact CG1-CE2 3.54Å; V225-F268 HydrophobicContact CG1-CZ 3.91Å; V225-F268 HydrophobicContact CG2-CE2 3.99Å; V225-Y312 HydrophobicContact CG2-CD2 4.34Å; V225-Y312 HydrophobicContact CG2-CG 4.24Å; V225-P313 PolarHBondContact N-O 2.87Å; V225-L315 HydrophobicContact CB-CB 4.17Å; V225-L315 HydrophobicContact CG2-CB 3.92Å; V225-L315 HydrophobicContact CG2-CD1 4.22Å; V225-L315 HydrophobicContact CG2-CG 4.37Å; V225-R318 HydrophobicContact CG1-CB 3.57Å; V225-R318 HydrophobicContact CG1-CG 3.66Å
226A97.9Very high96.7Very high1 Ų156.7 Ų56.71%0.00827%0.27CS..  trans-63.9132.5173.900000110.8V229 E232 F261 R318A226-V229 HydrophobicContact CB-CG2 4.34Å; A226-E232 HydrophobicContact CB-CB 4.03Å; A226-E232 HydrophobicContact CB-CG 3.69Å; A226-F261 HydrophobicContact CB-CB 4.18Å; A226-F261 HydrophobicContact CB-CD2 4.04Å; A226-F261 HydrophobicContact CB-CG 4.3Å; A226-R318 WeakPolarHBondContact O-CD 3.49Å; A226-R318 PolarHBondContact O-NH1 3.43Å
227Y97.4Very high96.6Very high125 Ų12562.2 Ų62.249%0.4930%0.301SS..SBendtrans-71.2-39.5170.9-178.3-99.6000111.4R321Y227-R321 HydrophobicContact CD2-CB 4.49Å; Y227-R321 HydrophobicContact CE2-CB 3.68Å; Y227-R321 HydrophobicContact CE2-CG 4.26Å; Y227-R321 VanDerWaalsContact CZ-CD 3.41Å; Y227-R321 PolarHBondContact O-NH1 2.89Å
228D96.2Very high96.6Very high39 Ų3964.1 Ų64.121%0.20931%0.314CS..SBendtrans-130112.7173.3-162.1-55.6000109E230 Q231 E232 R321D228-E230 PolarHBondContact OD1-N 3.22Å; D228-E230 VanDerWaalsContact OD1-N 3.16Å; D228-Q231 HydrophobicContact CB-CB 3.87Å; D228-Q231 PolarHBondContact OD1-N 3.12Å; D228-E232 WeakPolarHBondContact O-CB 3.49Å; D228-E232 WeakPolarHBondContact O-CG 3.39Å; D228-E232 PolarHBondContact O-N 2.95Å; D228-E232 VanDerWaalsContact O-N 3.12Å; D228-R321 VanDerWaalsContact CB-NH1 3.33Å; D228-R321 IonicContact OD2-CZ 3.12Å; D228-R321 IonicContact OD2-NH1 2.79Å; D228-R321 PolarHBondContact OD2-NH1 3.21Å; D228-R321 IonicContact OD2-NH2 3.62Å; D228-R321 PolarHBondContact OD2-NH2 3.1Å
229V95.3Very high96.5Very high24 Ų2466.6 Ų66.615%0.14533%0.329CS..Hα-helixtrans-69.5-39.2-173.8-177.30000111.1A226 E232 Q233 F261 E265A226-V229 HydrophobicContact CB-CG2 4.34Å; V229-E232 PolarHBondContact O-N 2.9Å; V229-Q233 HydrophobicContact CG1-CG 4.31Å; V229-Q233 WeakPolarHBondContact O-CB 3.46Å; V229-Q233 WeakPolarHBondContact O-CG 3.27Å; V229-Q233 PolarHBondContact O-N 3.16Å; V229-F261 HydrophobicContact CG1-CE2 4.41Å; V229-E265 WeakPolarHBondContact CG2-OE2 3.16Å
230E95.5Very high96.3Very high134 Ų13471.7 Ų71.763%0.62636%0.361SS*.Hα-helixtrans-66.8-43.8-178.8-175.2-179.9-179.100110.3D228 E232 Q233 N234D228-E230 PolarHBondContact OD1-N 3.22Å; D228-E230 VanDerWaalsContact OD1-N 3.16Å; E230-E232 PolarHBondContact O-N 2.62Å; E230-Q233 PolarHBondContact O-N 2.76Å; E230-N234 VanDerWaalsContact O-CG 3.3Å; E230-N234 PolarHBondContact O-N 3.36Å; E230-N234 PolarHBondContact O-ND2 3.07Å
231Q95.7Very high96.2Very high120 Ų12072 Ų7256%0.56137%0.369SS*.Hα-helixtrans-61.5-44.9175.5-170-178.612.900112.2D228 Q233 N234 L235D228-Q231 HydrophobicContact CB-CB 3.87Å; D228-Q231 PolarHBondContact OD1-N 3.12Å; Q231-Q233 VanDerWaalsContact C-N 3.34Å; Q231-N234 PolarHBondContact O-N 2.65Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.25Å
232E96.3Very high96.1Very high37 Ų3765.8 Ų65.817%0.17334%0.343CS..Hα-helixtrans-66.5-35.3178.1-78.6-81174.100112.2Y224 A226 D228 V229 E230 L235 A236 L242 F261Y224-E232 PolarHBondContact OH-OE2 2.84Å; A226-E232 HydrophobicContact CB-CB 4.03Å; A226-E232 HydrophobicContact CB-CG 3.69Å; D228-E232 WeakPolarHBondContact O-CB 3.49Å; D228-E232 WeakPolarHBondContact O-CG 3.39Å; D228-E232 PolarHBondContact O-N 2.95Å; D228-E232 VanDerWaalsContact O-N 3.12Å; V229-E232 PolarHBondContact O-N 2.9Å; E230-E232 PolarHBondContact O-N 2.62Å; E232-L235 PolarHBondContact O-N 2.96Å; E232-A236 WeakPolarHBondContact O-CB 3.21Å; E232-A236 PolarHBondContact O-N 3.43Å; E232-L242 WeakPolarHBondContact OE2-CD1 3.21Å; E232-F261 HydrophobicContact CB-CD1 4.19Å; E232-F261 HydrophobicContact CB-CD2 4.26Å; E232-F261 HydrophobicContact CB-CE1 3.91Å; E232-F261 HydrophobicContact CB-CE2 4.03Å; E232-F261 HydrophobicContact CB-CG 4.35Å; E232-F261 HydrophobicContact CB-CZ 3.85Å
233Q95.7Very high96Very high97 Ų9767.4 Ų67.445%0.45335%0.354SS..Hα-helixtrans-63.1-46.9172.1-76.9173.1-800111.8V229 E230 Q231 L235 A236 L237 F261V229-Q233 HydrophobicContact CG1-CG 4.31Å; V229-Q233 WeakPolarHBondContact O-CB 3.46Å; V229-Q233 WeakPolarHBondContact O-CG 3.27Å; V229-Q233 PolarHBondContact O-N 3.16Å; E230-Q233 PolarHBondContact O-N 2.76Å; Q231-Q233 VanDerWaalsContact C-N 3.34Å; Q233-L235 VanDerWaalsContact C-N 3.35Å; Q233-L235 PolarHBondContact O-N 3.07Å; Q233-A236 WeakPolarHBondContact O-CB 3.06Å; Q233-A236 PolarHBondContact O-N 2.93Å; Q233-A236 VanDerWaalsContact O-N 3.13Å; Q233-L237 WeakPolarHBondContact O-CG 3.43Å; Q233-L237 PolarHBondContact O-N 2.88Å; Q233-F261 HydrophobicContact CG-CE2 4.02Å; Q233-F261 HydrophobicContact CG-CZ 3.95Å
234N96.7Very high95.9Very high76 Ų7671.4 Ų71.441%0.40637%0.371SS..Hα-helixtrans-60.6-44.6176.2-67.4-26.8000111E230 Q231 A236 L237 D238E230-N234 VanDerWaalsContact O-CG 3.3Å; E230-N234 PolarHBondContact O-N 3.36Å; E230-N234 PolarHBondContact O-ND2 3.07Å; Q231-N234 PolarHBondContact O-N 2.65Å; N234-A236 VanDerWaalsContact C-N 3.29Å; N234-A236 PolarHBondContact O-N 2.86Å; N234-L237 PolarHBondContact O-N 2.88Å; N234-D238 VanDerWaalsContact O-CB 3.26Å; N234-D238 WeakPolarHBondContact O-CB 3.26Å; N234-D238 VanDerWaalsContact O-CG 3.32Å; N234-D238 PolarHBondContact O-N 3.24Å
235L95.9Very high95.8Very high60 Ų6077.3 Ų77.331%0.31440%0.397SS..Hα-helixtrans-60.2-37.3174.6-73.7172000112.9Q231 E232 Q233 T239 L242Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.25Å; E232-L235 PolarHBondContact O-N 2.96Å; Q233-L235 VanDerWaalsContact C-N 3.35Å; Q233-L235 PolarHBondContact O-N 3.07Å; L235-T239 WeakPolarHBondContact O-CB 3.31Å; L235-T239 PolarHBondContact O-N 2.98Å; L235-T239 PolarHBondContact O-OG1 3.37Å; L235-L242 HydrophobicContact CB-CD1 3.93Å; L235-L242 HydrophobicContact CB-CG 4.34Å
236A94.5Very high95.7Very high36 Ų3678.3 Ų78.330%0.29840%0.401SS..Hα-helixtrans-70.9-33.1178.600000113.4E232 Q233 N234 L242 F261E232-A236 WeakPolarHBondContact O-CB 3.21Å; E232-A236 PolarHBondContact O-N 3.43Å; Q233-A236 WeakPolarHBondContact O-CB 3.06Å; Q233-A236 PolarHBondContact O-N 2.93Å; Q233-A236 VanDerWaalsContact O-N 3.13Å; N234-A236 VanDerWaalsContact C-N 3.29Å; N234-A236 PolarHBondContact O-N 2.86Å; A236-L242 HydrophobicContact CB-CD1 3.92Å; A236-F261 HydrophobicContact CB-CE1 4.17Å; A236-F261 HydrophobicContact CB-CZ 4.48Å
237L94.1Very high95.6Very high141 Ų14182.4 Ų82.474%0.73843%0.426SS*.Hα-helixtrans-84.2-44.1-179.5-70.3172.6000112Q233 N234Q233-L237 WeakPolarHBondContact O-CG 3.43Å; Q233-L237 PolarHBondContact O-N 2.88Å; N234-L237 PolarHBondContact O-N 2.88Å
238D95.3Very high95.5Very high130 Ų13077.3 Ų77.370%0.69541%0.407SS*.Hα-helixtrans-88.8-16.2-170.4-61.2-23.8000112.8N234N234-D238 VanDerWaalsContact O-CB 3.26Å; N234-D238 WeakPolarHBondContact O-CB 3.26Å; N234-D238 VanDerWaalsContact O-CG 3.32Å; N234-D238 PolarHBondContact O-N 3.24Å
239T93.9Very high95.1Very high52 Ų5280.7 Ų80.732%0.31943%0.431SS..  trans-140.6171-174.686.20000112.7L235 V241L235-T239 WeakPolarHBondContact O-CB 3.31Å; L235-T239 PolarHBondContact O-N 2.98Å; L235-T239 PolarHBondContact O-OG1 3.37Å; T239-V241 VanDerWaalsContact OG1-CG2 3.26Å; T239-V241 WeakPolarHBondContact OG1-CG2 3.4Å; T239-V241 PolarHBondContact OG1-N 3.3Å
240T93.6Very high94.9Very high114 Ų11484.1 Ų84.170%0.69945%0.448SS*.SBendtrans-1059.5172.664.50000113.3L242 V243T240-L242 PolarHBondContact O-N 3.13Å; T240-V243 WeakPolarHBondContact O-CB 3.19Å; T240-V243 PolarHBondContact O-N 3.33Å
241V95Very high94.8Very high105 Ų10580.1 Ų80.164%0.63644%0.443SS*.THydrogen-bonded Turntrans-64.9-28.4-171.4-55.90000112.6T239 V243T239-V241 VanDerWaalsContact OG1-CG2 3.26Å; T239-V241 WeakPolarHBondContact OG1-CG2 3.4Å; T239-V241 PolarHBondContact OG1-N 3.3Å; V241-V243 VanDerWaalsContact C-N 3.34Å
242L94.7Very high94.7Very high25 Ų2582.8 Ų82.813%0.13145%0.448CS..THydrogen-bonded Turntrans-83.6-9.9178-56.7-176.6000113E232 L235 A236 T240 K244 F261E232-L242 WeakPolarHBondContact OE2-CD1 3.21Å; L235-L242 HydrophobicContact CB-CD1 3.93Å; L235-L242 HydrophobicContact CB-CG 4.34Å; A236-L242 HydrophobicContact CB-CD1 3.92Å; T240-L242 PolarHBondContact O-N 3.13Å; L242-K244 PolarHBondContact O-N 3.48Å; L242-F261 HydrophobicContact CD1-CD1 4.5Å; L242-F261 HydrophobicContact CD1-CE1 4.1Å
243V96.2Very high94.7Very high54 Ų5485 Ų8533%0.32746%0.464SS..  trans-74.7114.4-176.6-178.60000110.5T240 V241 K255 V256T240-V243 WeakPolarHBondContact O-CB 3.19Å; T240-V243 PolarHBondContact O-N 3.33Å; V241-V243 VanDerWaalsContact C-N 3.34Å; V243-K255 HydrophobicContact CG1-CB 3.95Å; V243-K255 HydrophobicContact CG1-CD 4.33Å; V243-K255 HydrophobicContact CG1-CG 4.33Å; V243-V256 CarbonylContact C-O 3.48Å; V243-V256 WeakPolarHBondContact CA-O 3.43Å
244K96.4Very high94.7Very high89 Ų8980.7 Ų80.739%0.38744%0.444SS..EExtended strand (participates in β ladder)trans-107.6148.6173.7-61.4-175.7-173.4171.20110.7L222 L242 K255 V256 L260L222-K244 HydrophobicContact CD2-CD 4Å; L242-K244 PolarHBondContact O-N 3.48Å; K244-K255 WeakPolarHBondContact O-CA 3.46Å; K244-V256 HydrophobicContact CB-CG2 4.31Å; K244-V256 PolarHBondContact N-O 3.28Å; K244-V256 PolarHBondContact O-N 2.96Å; K244-L260 HydrophobicContact CB-CD1 4.28Å; K244-L260 HydrophobicContact CD-CD1 3.85Å; K244-L260 HydrophobicContact CG-CD1 4.19Å
245K96.4Very high94.7Very high160 Ų16082.5 Ų82.570%0.69645%0.448SS*.EExtended strand (participates in β ladder)trans-93139.6171.4-66.4-179.6-177.2177.50109.6V253 I254K245-V253 HydrophobicContact CB-CG1 3.88Å; K245-V253 HydrophobicContact CD-CG1 4.29Å; K245-V253 HydrophobicContact CG-CG1 4.22Å; K245-I254 WeakPolarHBondContact CA-O 3.31Å
246Y96.7Very high94.7Very high25 Ų2579.7 Ų79.710%0.09843%0.433CS..EExtended strand (participates in β ladder)trans-132.8130.7172.5-171.7-95.1000110.1T214 M218 K221 L222 L248 V253 I254T214-Y246 HydrophobicContact CG2-CE1 4.48Å; M218-Y246 HydrophobicContact CB-CD1 4.35Å; M218-Y246 HydrophobicContact CB-CD2 4.33Å; M218-Y246 HydrophobicContact CB-CE1 3.99Å; M218-Y246 HydrophobicContact CB-CE2 3.94Å; M218-Y246 HydrophobicContact CG-CD1 3.99Å; M218-Y246 HydrophobicContact CG-CD2 3.74Å; M218-Y246 HydrophobicContact CG-CE1 4.13Å; M218-Y246 HydrophobicContact CG-CE2 3.87Å; M218-Y246 HydrophobicContact CG-CG 3.79Å; M218-Y246 HydrophobicContact SD-CD1 3.99Å; M218-Y246 HydrophobicContact SD-CE1 4.49Å; M218-Y246 HydrophobicContact SD-CG 4.01Å; K221-Y246 HydrophobicContact CD-CE2 4.05Å; L222-Y246 HydrophobicContact CD1-CD2 3.74Å; L222-Y246 HydrophobicContact CD1-CG 4.21Å; L222-Y246 HydrophobicContact CG-CD2 4.31Å; Y246-L248 HydrophobicContact CD1-CD2 4.04Å; Y246-L248 HydrophobicContact CE1-CD2 4.17Å; Y246-V253 WeakPolarHBondContact O-CA 3.31Å; Y246-I254 PolarHBondContact N-O 3.37Å; Y246-I254 PolarHBondContact O-N 3.06Å
247T96.4Very high94.8Very high88 Ų8878.1 Ų78.154%0.5442%0.42SS..EExtended strand (participates in β ladder)trans-93.2121.6177.9-50.40000109.3R252 V253T247-R252 WeakPolarHBondContact CA-O 3.42Å; T247-V253 HydrophobicContact CG2-CG2 4.33Å
248L94.2Very high94.9Very high18 Ų1872.4 Ų72.49%0.09440%0.396CS..  trans-75.5163.2176.2-62.3179.4000111.3F206 T214 Y246 D250 G251 R252 I254F206-L248 HydrophobicContact CE1-CD1 3.8Å; F206-L248 HydrophobicContact CE1-CD2 3.96Å; F206-L248 HydrophobicContact CZ-CD1 3.73Å; F206-L248 HydrophobicContact CZ-CD2 3.78Å; F206-L248 HydrophobicContact CZ-CG 4.4Å; T214-L248 HydrophobicContact CG2-CD2 3.92Å; Y246-L248 HydrophobicContact CD1-CD2 4.04Å; Y246-L248 HydrophobicContact CE1-CD2 4.17Å; L248-D250 VanDerWaalsContact CB-OD1 3.28Å; L248-D250 WeakPolarHBondContact CB-OD1 3.36Å; L248-D250 PolarHBondContact O-N 3.47Å; L248-G251 PolarHBondContact O-N 3.11Å; L248-R252 WeakPolarHBondContact CB-O 3.39Å; L248-R252 HydrophobicContact CD1-CB 4.18Å; L248-R252 PolarHBondContact N-O 2.89Å; L248-I254 HydrophobicContact CD1-CG2 3.87Å; L248-I254 HydrophobicContact CD2-CD1 4.18Å; L248-I254 HydrophobicContact CD2-CG1 4.49Å; L248-I254 HydrophobicContact CG-CG2 4.25Å
249P89.5Confident95Very high109 Ų10967.5 Ų67.571%0.70837%0.369SS*.THydrogen-bonded Turntrans-58.1-27.3178.5-26.235.5000114.5T214 G251T214-P249 HydrophobicContact CG2-CG 3.97Å; P249-G251 PolarHBondContact O-N 3.39Å
250D89.8Confident95.2Very high96 Ų9665 Ų6551%0.51335%0.353SS..THydrogen-bonded Turntrans-82.52.7176.271.9-11.3000113.6L248 R252L248-D250 VanDerWaalsContact CB-OD1 3.28Å; L248-D250 WeakPolarHBondContact CB-OD1 3.36Å; L248-D250 PolarHBondContact O-N 3.47Å; D250-R252 VanDerWaalsContact C-N 3.35Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.44Å; D250-R252 WeakPolarHBondContact OD1-CG 3.39Å; D250-R252 PolarHBondContact OD1-N 3.17Å; D250-R252 WeakPolarHBondContact OD2-CD 3.43Å; D250-R252 WeakPolarHBondContact OD2-CG 3.26Å; D250-R252 IonicContact OD2-CZ 3.84Å; D250-R252 IonicContact OD2-NE 3.7Å; D250-R252 PolarHBondContact OD2-NE 2.9Å; D250-R252 VanDerWaalsContact OD2-NE 3.12Å
251G93.4Very high95.4Very high50 Ų5060 Ų6052%0.51532%0.322SS..SBendtrans86.6-7.3-179.200000115L248 P249L248-G251 PolarHBondContact O-N 3.11Å; P249-G251 PolarHBondContact O-N 3.39Å
252R94Very high95.5Very high177 Ų17755.7 Ų55.767%0.66830%0.299SS*.  trans-67.3140.9176.9-65.5178.7-172.8175.91.9110.5T247 L248 D250T247-R252 WeakPolarHBondContact CA-O 3.42Å; L248-R252 WeakPolarHBondContact CB-O 3.39Å; L248-R252 HydrophobicContact CD1-CB 4.18Å; L248-R252 PolarHBondContact N-O 2.89Å; D250-R252 VanDerWaalsContact C-N 3.35Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.44Å; D250-R252 WeakPolarHBondContact OD1-CG 3.39Å; D250-R252 PolarHBondContact OD1-N 3.17Å; D250-R252 WeakPolarHBondContact OD2-CD 3.43Å; D250-R252 WeakPolarHBondContact OD2-CG 3.26Å; D250-R252 IonicContact OD2-CZ 3.84Å; D250-R252 IonicContact OD2-NE 3.7Å; D250-R252 PolarHBondContact OD2-NE 2.9Å; D250-R252 VanDerWaalsContact OD2-NE 3.12Å
253V96.1Very high95.7Very high83 Ų8354.5 Ų54.550%0.50329%0.293SS..EExtended strand (participates in β ladder)trans-105.2119.2177.2-178.50000109.8K245 Y246 T247K245-V253 HydrophobicContact CB-CG1 3.88Å; K245-V253 HydrophobicContact CD-CG1 4.29Å; K245-V253 HydrophobicContact CG-CG1 4.22Å; Y246-V253 WeakPolarHBondContact O-CA 3.31Å; T247-V253 HydrophobicContact CG2-CG2 4.33Å
254I96.2Very high95.8Very high6 Ų651.9 Ų51.93%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-100.7155.6174.364.4167.5000111Y204 F206 M218 K245 Y246 L248 V256Y204-I254 HydrophobicContact CD1-CB 4.38Å; Y204-I254 HydrophobicContact CD1-CG2 3.77Å; Y204-I254 HydrophobicContact CD2-CB 4.44Å; Y204-I254 HydrophobicContact CE1-CB 3.89Å; Y204-I254 HydrophobicContact CE1-CG2 3.56Å; Y204-I254 HydrophobicContact CE2-CB 3.94Å; Y204-I254 HydrophobicContact CE2-CG2 4.37Å; Y204-I254 HydrophobicContact CG-CG2 4.28Å; F206-I254 HydrophobicContact CE2-CD1 4.09Å; F206-I254 HydrophobicContact CZ-CD1 4.01Å; F206-I254 HydrophobicContact CZ-CG2 4.49Å; M218-I254 HydrophobicContact SD-CD1 3.8Å; K245-I254 WeakPolarHBondContact CA-O 3.31Å; Y246-I254 PolarHBondContact N-O 3.37Å; Y246-I254 PolarHBondContact O-N 3.06Å; L248-I254 HydrophobicContact CD1-CG2 3.87Å; L248-I254 HydrophobicContact CD2-CD1 4.18Å; L248-I254 HydrophobicContact CD2-CG1 4.49Å; L248-I254 HydrophobicContact CG-CG2 4.25Å; I254-V256 HydrophobicContact CD1-CG1 3.97Å; I254-V256 HydrophobicContact CG1-CG1 4.4Å
255K96.4Very high95.9Very high115 Ų11547.9 Ų47.950%0.526%0.259SS..EExtended strand (participates in β ladder)trans-111.2122.9174.8-67.2-177.9-175.9177.20109.1R202 Y204 V243 K244R202-K255 PolarHBondContact NE-O 3.37Å; R202-K255 VanDerWaalsContact NE-O 3.12Å; Y204-K255 WeakPolarHBondContact CE2-O 3.34Å; Y204-K255 PolarHBondContact OH-N 3.42Å; V243-K255 HydrophobicContact CG1-CB 3.95Å; V243-K255 HydrophobicContact CG1-CD 4.33Å; V243-K255 HydrophobicContact CG1-CG 4.33Å; K244-K255 WeakPolarHBondContact O-CA 3.46Å
256V96.2Very high96Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-122.9140.5-179.1-68.60000109L199 M218 L222 V243 K244 I254 L260L199-V256 HydrophobicContact CD2-CG1 3.52Å; M218-V256 HydrophobicContact CE-CG1 4.13Å; M218-V256 HydrophobicContact SD-CG1 4.05Å; L222-V256 HydrophobicContact CD1-CG2 3.77Å; V243-V256 CarbonylContact C-O 3.48Å; V243-V256 WeakPolarHBondContact CA-O 3.43Å; K244-V256 HydrophobicContact CB-CG2 4.31Å; K244-V256 PolarHBondContact N-O 3.28Å; K244-V256 PolarHBondContact O-N 2.96Å; I254-V256 HydrophobicContact CD1-CG1 3.97Å; I254-V256 HydrophobicContact CG1-CG1 4.4Å; V256-L260 HydrophobicContact CB-CD2 4.08Å; V256-L260 HydrophobicContact CB-CG 4.2Å; V256-L260 HydrophobicContact CG2-CD1 4Å; V256-L260 HydrophobicContact CG2-CD2 3.85Å; V256-L260 HydrophobicContact CG2-CG 4.1Å
257G96.5Very high96Very high3 Ų339 Ų393%0.03122%0.222CC..  trans-139-107.9-175.600000110.3E259 L260G257-E259 PolarHBondContact N-OE2 3.46Å; G257-E259 PolarHBondContact O-N 2.63Å; G257-L260 VanDerWaalsContact O-CB 3.26Å; G257-L260 WeakPolarHBondContact O-CB 3.42Å; G257-L260 WeakPolarHBondContact O-CG 3.23Å; G257-L260 PolarHBondContact O-N 3.31Å
258G96.5Very high96.1Very high21 Ų2135.6 Ų35.622%0.21620%0.199CC..THydrogen-bonded Turntrans-58.2-20.3-17700000115.2L260 F261 G262G258-L260 PolarHBondContact O-N 3.38Å; G258-F261 VanDerWaalsContact CA-CE1 3.45Å; G258-F261 WeakPolarHBondContact O-CD1 3.15Å; G258-F261 PolarHBondContact O-N 3.19Å; G258-G262 PolarHBondContact O-N 3.37Å
259E97.1Very high96.3Very high27 Ų2738 Ų3813%0.12621%0.21CC..Hα-helixtrans-63.1-25.8174.2-50.376.6-165.600112.2L195 L198 R202 G257 G262 A263L195-E259 HydrophobicContact CD1-CB 3.94Å; L198-E259 HydrophobicContact CB-CB 4Å; L198-E259 HydrophobicContact CB-CG 3.78Å; L198-E259 HydrophobicContact CD1-CB 4.18Å; R202-E259 WeakPolarHBondContact CD-OE1 3.16Å; R202-E259 IonicContact CZ-OE1 2.62Å; R202-E259 IonicContact CZ-OE2 2.63Å; R202-E259 IonicContact NE-OE1 3.22Å; R202-E259 IonicContact NH1-OE1 2.88Å; R202-E259 PolarHBondContact NH1-OE1 3.33Å; R202-E259 IonicContact NH1-OE2 3.48Å; R202-E259 PolarHBondContact NH1-OE2 2.72Å; G257-E259 PolarHBondContact N-OE2 3.46Å; G257-E259 PolarHBondContact O-N 2.63Å; E259-G262 PolarHBondContact O-N 3.01Å; E259-A263 WeakPolarHBondContact O-CB 3.13Å; E259-A263 PolarHBondContact O-N 2.89Å
260L97.5Very high96.7Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-67.7-35.6-176.3-65.3-177.1000113L222 C223 Y224 K244 V256 G257 G258 P264L222-L260 HydrophobicContact CB-CD1 4.03Å; L222-L260 HydrophobicContact CB-CD2 3.57Å; L222-L260 HydrophobicContact CB-CG 4.43Å; L222-L260 HydrophobicContact CD1-CD2 4.38Å; C223-L260 WeakPolarHBondContact CA-O 3.38Å; C223-L260 WeakPolarHBondContact CB-O 3.23Å; C223-L260 PolarHBondContact SG-O 2.89Å; Y224-L260 HydrophobicContact CD1-CB 4.31Å; Y224-L260 HydrophobicContact CE1-CB 4.02Å; Y224-L260 PolarHBondContact N-O 3.1Å; K244-L260 HydrophobicContact CB-CD1 4.28Å; K244-L260 HydrophobicContact CD-CD1 3.85Å; K244-L260 HydrophobicContact CG-CD1 4.19Å; V256-L260 HydrophobicContact CB-CD2 4.08Å; V256-L260 HydrophobicContact CB-CG 4.2Å; V256-L260 HydrophobicContact CG2-CD1 4Å; V256-L260 HydrophobicContact CG2-CD2 3.85Å; V256-L260 HydrophobicContact CG2-CG 4.1Å; G257-L260 VanDerWaalsContact O-CB 3.26Å; G257-L260 WeakPolarHBondContact O-CB 3.42Å; G257-L260 WeakPolarHBondContact O-CG 3.23Å; G257-L260 PolarHBondContact O-N 3.31Å; G258-L260 PolarHBondContact O-N 3.38Å; L260-P264 VanDerWaalsContact O-CD 3.25Å; L260-P264 WeakPolarHBondContact O-CD 3.44Å
261F98Very high97Very high8 Ų833.9 Ų33.94%0.03518%0.178CC..Hα-helixtrans-96.1-28.6170.772.7-96.6000112.3Y224 A226 V229 E232 Q233 A236 L242 G258 A263 P264 E265Y224-F261 HydrophobicContact CD2-CB 4.23Å; Y224-F261 HydrophobicContact CE1-CB 4.19Å; Y224-F261 HydrophobicContact CE2-CB 3.82Å; Y224-F261 WeakPolarHBondContact O-CA 3.46Å; Y224-F261 WeakPolarHBondContact OH-CD1 3.34Å; A226-F261 HydrophobicContact CB-CB 4.18Å; A226-F261 HydrophobicContact CB-CD2 4.04Å; A226-F261 HydrophobicContact CB-CG 4.3Å; V229-F261 HydrophobicContact CG1-CE2 4.41Å; E232-F261 HydrophobicContact CB-CD1 4.19Å; E232-F261 HydrophobicContact CB-CD2 4.26Å; E232-F261 HydrophobicContact CB-CE1 3.91Å; E232-F261 HydrophobicContact CB-CE2 4.03Å; E232-F261 HydrophobicContact CB-CG 4.35Å; E232-F261 HydrophobicContact CB-CZ 3.85Å; Q233-F261 HydrophobicContact CG-CE2 4.02Å; Q233-F261 HydrophobicContact CG-CZ 3.95Å; A236-F261 HydrophobicContact CB-CE1 4.17Å; A236-F261 HydrophobicContact CB-CZ 4.48Å; L242-F261 HydrophobicContact CD1-CD1 4.5Å; L242-F261 HydrophobicContact CD1-CE1 4.1Å; G258-F261 VanDerWaalsContact CA-CE1 3.45Å; G258-F261 WeakPolarHBondContact O-CD1 3.15Å; G258-F261 PolarHBondContact O-N 3.19Å; F261-A263 VanDerWaalsContact C-N 3.32Å; F261-A263 PolarHBondContact O-N 3.17Å; F261-P264 WeakPolarHBondContact O-CD 3.32Å; F261-E265 PolarHBondContact O-N 3.29Å
262G97.7Very high97.1Very high15 Ų1533.7 Ų33.716%0.15517%0.165CC..Hα-helixtrans-62.3-35.9177.700000113.1Y194 G258 E259 E265Y194-G262 VanDerWaalsContact CE1-O 3.29Å; Y194-G262 WeakPolarHBondContact CE1-O 3.23Å; G258-G262 PolarHBondContact O-N 3.37Å; E259-G262 PolarHBondContact O-N 3.01Å; G262-E265 WeakPolarHBondContact O-CB 3.39Å; G262-E265 PolarHBondContact O-N 2.93Å
263A98.3Very high97.2Very high0 Ų026.6 Ų26.60%014%0.14CC..THydrogen-bonded Turntrans-67.2-52.7178.400000113I191 Y194 L195 L198 E259 F261 E265 A266I191-A263 HydrophobicContact CG2-CB 4.02Å; Y194-A263 HydrophobicContact CD1-CB 4.44Å; L195-A263 HydrophobicContact CB-CB 3.81Å; L195-A263 HydrophobicContact CD1-CB 3.96Å; L195-A263 HydrophobicContact CG-CB 4.37Å; L198-A263 HydrophobicContact CD1-CB 4.02Å; E259-A263 WeakPolarHBondContact O-CB 3.13Å; E259-A263 PolarHBondContact O-N 2.89Å; F261-A263 VanDerWaalsContact C-N 3.32Å; F261-A263 PolarHBondContact O-N 3.17Å; A263-E265 PolarHBondContact O-N 3.05Å; A263-A266 WeakPolarHBondContact O-CB 3.36Å; A263-A266 PolarHBondContact O-N 3.33Å
264P98.5Very high97.2Very high0 Ų029.1 Ų29.10%015%0.151CC..G310 helixtrans-63.2-21.2175.3-26.236.9000114.9I191 C223 Y224 V225 L260 F261 A266 L267 Y312I191-P264 HydrophobicContact CG2-CG 4.44Å; C223-P264 HydrophobicContact CB-CG 3.76Å; Y224-P264 WeakPolarHBondContact O-CG 3.19Å; V225-P264 HydrophobicContact CG2-CB 3.81Å; L260-P264 VanDerWaalsContact O-CD 3.25Å; L260-P264 WeakPolarHBondContact O-CD 3.44Å; F261-P264 WeakPolarHBondContact O-CD 3.32Å; P264-A266 PolarHBondContact O-N 3.48Å; P264-A266 VanDerWaalsContact O-N 3.1Å; P264-L267 WeakPolarHBondContact O-CB 3.39Å; P264-L267 PolarHBondContact O-N 3.37Å; P264-Y312 HydrophobicContact CB-CD1 4.42Å; P264-Y312 HydrophobicContact CB-CD2 4.23Å; P264-Y312 HydrophobicContact CB-CE1 4.43Å; P264-Y312 HydrophobicContact CB-CE2 4.25Å; P264-Y312 HydrophobicContact CB-CG 4.33Å; P264-Y312 HydrophobicContact CG-CD1 3.91Å; P264-Y312 HydrophobicContact CG-CE1 3.78Å; P264-Y312 HydrophobicContact CG-CE2 4.43Å; P264-Y312 HydrophobicContact CG-CG 4.31Å
265E98.4Very high97Very high4 Ų433.3 Ų33.32%0.01917%0.166CC..G310 helixtrans-57.3-24.8176.2-169.658.7-15600112.4V229 F261 G262 A263 L267 F268 Q269 L272 R318V229-E265 WeakPolarHBondContact CG2-OE2 3.16Å; F261-E265 PolarHBondContact O-N 3.29Å; G262-E265 WeakPolarHBondContact O-CB 3.39Å; G262-E265 PolarHBondContact O-N 2.93Å; A263-E265 PolarHBondContact O-N 3.05Å; E265-L267 PolarHBondContact O-N 3.47Å; E265-F268 CarbonylContact O-C 3.47Å; E265-F268 WeakPolarHBondContact O-CA 3.38Å; E265-F268 PolarHBondContact O-N 2.91Å; E265-Q269 HydrophobicContact CG-CB 4.45Å; E265-Q269 HydrophobicContact CG-CG 4.35Å; E265-Q269 PolarHBondContact O-N 2.85Å; E265-L272 HydrophobicContact CB-CD1 4.06Å; E265-L272 HydrophobicContact CG-CD1 3.89Å; E265-R318 IonicContact OE1-CZ 2.6Å; E265-R318 IonicContact OE1-NH1 2.86Å; E265-R318 IonicContact OE1-NH2 3.89Å; E265-R318 PolarHBondContact OE1-NH2 2.83Å; E265-R318 IonicContact OE2-CZ 3.05Å; E265-R318 IonicContact OE2-NH1 3.25Å; E265-R318 PolarHBondContact OE2-NH1 2.85Å; E265-R318 IonicContact OE2-NH2 2.77Å; E265-R318 PolarHBondContact OE2-NH2 3.41Å
266A98Very high96.7Very high0 Ų037.3 Ų37.30%019%0.186CC..G310 helixtrans-57.3-21.9173.200000114.1Y194 A263 P264 F268 Q269 P270 I273Y194-A266 HydrophobicContact CD1-CB 3.84Å; Y194-A266 HydrophobicContact CE1-CB 4.2Å; A263-A266 WeakPolarHBondContact O-CB 3.36Å; A263-A266 PolarHBondContact O-N 3.33Å; P264-A266 PolarHBondContact O-N 3.48Å; P264-A266 VanDerWaalsContact O-N 3.1Å; A266-F268 VanDerWaalsContact C-N 3.33Å; A266-Q269 CarbonylContact O-C 3.42Å; A266-P270 WeakPolarHBondContact O-CA 3.44Å; A266-I273 HydrophobicContact CB-CD1 4.29Å; A266-I273 HydrophobicContact CB-CG1 4.26Å; A266-I273 HydrophobicContact CB-CG2 3.96Å
267L98.2Very high96.5Very high0 Ų040.1 Ų40.10%022%0.215CC..G310 helixtrans-68.5-32.3171.5-72.2170.2000112.6V186 I191 P264 E265 G279 I280 Y312 L315V186-L267 HydrophobicContact CG1-CD2 4.13Å; I191-L267 HydrophobicContact CD1-CD1 3.7Å; I191-L267 HydrophobicContact CD1-CD2 4.05Å; I191-L267 HydrophobicContact CD1-CG 3.69Å; I191-L267 HydrophobicContact CG1-CG 4.42Å; P264-L267 WeakPolarHBondContact O-CB 3.39Å; P264-L267 PolarHBondContact O-N 3.37Å; E265-L267 PolarHBondContact O-N 3.47Å; L267-G279 CarbonylContact O-C 3.53Å; L267-G279 WeakPolarHBondContact O-CA 3.48Å; L267-I280 HydrophobicContact CB-CG2 4.45Å; L267-I280 PolarHBondContact O-N 3.33Å; L267-Y312 HydrophobicContact CD1-CD2 4.31Å; L267-Y312 HydrophobicContact CD1-CE2 4.09Å; L267-L315 HydrophobicContact CD1-CD1 4.27Å
268F98.3Very high96.5Very high15 Ų1542.2 Ų42.27%0.06623%0.227CC..THydrogen-bonded Turntrans-95.5-25.1-179.4-62.1-89000111.6V225 E265 A266 G279 I280 S281 L315 R318 E322V225-F268 HydrophobicContact CB-CE2 4.45Å; V225-F268 HydrophobicContact CG1-CD2 4.38Å; V225-F268 HydrophobicContact CG1-CE2 3.54Å; V225-F268 HydrophobicContact CG1-CZ 3.91Å; V225-F268 HydrophobicContact CG2-CE2 3.99Å; E265-F268 CarbonylContact O-C 3.47Å; E265-F268 WeakPolarHBondContact O-CA 3.38Å; E265-F268 PolarHBondContact O-N 2.91Å; A266-F268 VanDerWaalsContact C-N 3.33Å; F268-G279 VanDerWaalsContact O-CA 3.28Å; F268-G279 WeakPolarHBondContact O-CA 3.43Å; F268-I280 HydrophobicContact CD1-CG2 3.76Å; F268-I280 HydrophobicContact CE1-CG2 3.6Å; F268-I280 HydrophobicContact CE2-CG2 4.43Å; F268-I280 HydrophobicContact CG-CG2 4.28Å; F268-I280 HydrophobicContact CZ-CG2 3.96Å; F268-S281 VanDerWaalsContact CD1-OG 3.29Å; F268-S281 WeakPolarHBondContact CD1-OG 3.41Å; F268-S281 WeakPolarHBondContact CE1-OG 3.2Å; F268-L315 HydrophobicContact CZ-CG 4.45Å; F268-R318 HydrophobicContact CD1-CG 4.18Å; F268-R318 HydrophobicContact CE1-CB 4.49Å; F268-R318 HydrophobicContact CE1-CG 3.61Å; F268-R318 HydrophobicContact CE2-CG 4.21Å; F268-R318 HydrophobicContact CZ-CB 4.23Å; F268-R318 HydrophobicContact CZ-CG 3.63Å; F268-E322 WeakPolarHBondContact CD1-OE2 3.36Å
269Q97.4Very high96.6Very high68 Ų6841.4 Ų41.432%0.31822%0.22SC..  trans-132.276.1-178.9-67-172.8-1.700110.8E265 A266 H271 L272E265-Q269 HydrophobicContact CG-CB 4.45Å; E265-Q269 HydrophobicContact CG-CG 4.35Å; E265-Q269 PolarHBondContact O-N 2.85Å; A266-Q269 CarbonylContact O-C 3.42Å; Q269-H271 PolarHBondContact O-N 3.25Å; Q269-L272 HydrophobicContact CB-CD1 3.78Å; Q269-L272 HydrophobicContact CB-CG 3.89Å; Q269-L272 WeakPolarHBondContact O-CB 3.45Å; Q269-L272 WeakPolarHBondContact O-CG 3.3Å; Q269-L272 PolarHBondContact O-N 2.86Å
270P97.5Very high96.6Very high2 Ų240.2 Ų40.21%0.01321%0.214CC..G310 helixtrans-57-26.1-176.7-28.137.3000114.5L184 V186 A266 L272 I273 R275L184-P270 HydrophobicContact CD1-CG 3.91Å; V186-P270 HydrophobicContact CG2-CB 4.09Å; V186-P270 HydrophobicContact CG2-CG 4.45Å; A266-P270 WeakPolarHBondContact O-CA 3.44Å; P270-L272 PolarHBondContact O-N 3.35Å; P270-L272 VanDerWaalsContact O-N 3.15Å; P270-I273 WeakPolarHBondContact O-CG1 3.41Å; P270-I273 PolarHBondContact O-N 3.01Å; P270-I273 VanDerWaalsContact O-N 3.11Å; P270-R275 CarbonylContact C-O 3.33Å; P270-R275 HydrophobicContact CB-CB 3.88Å; P270-R275 WeakPolarHBondContact O-CB 3.33Å; P270-R275 PolarHBondContact O-N 3.46Å
271H96.7Very high96.7Very high118 Ų11840.2 Ų40.255%0.54621%0.214SC..G310 helixtrans-60.6-22.7177.367.7-94.8000113.6Q269 I273 D274 R275Q269-H271 PolarHBondContact O-N 3.25Å; H271-I273 PolarHBondContact O-N 2.6Å; H271-I273 VanDerWaalsContact O-N 3.15Å; H271-D274 PolarHBondContact O-N 3.02Å; H271-D274 VanDerWaalsContact O-N 3.13Å; H271-R275 PolarHBondContact N-O 2.93Å
272L96.7Very high96.7Very high46 Ų4643.7 Ų43.724%0.24123%0.23CC..G310 helixtrans-61.6-21.2175.8-65.9177.8000113.4Y194 E265 Q269 P270Y194-L272 HydrophobicContact CE1-CB 4.01Å; Y194-L272 HydrophobicContact CE1-CD1 4.31Å; E265-L272 HydrophobicContact CB-CD1 4.06Å; E265-L272 HydrophobicContact CG-CD1 3.89Å; Q269-L272 HydrophobicContact CB-CD1 3.78Å; Q269-L272 HydrophobicContact CB-CG 3.89Å; Q269-L272 WeakPolarHBondContact O-CB 3.45Å; Q269-L272 WeakPolarHBondContact O-CG 3.3Å; Q269-L272 PolarHBondContact O-N 2.86Å; P270-L272 PolarHBondContact O-N 3.35Å; P270-L272 VanDerWaalsContact O-N 3.15Å
273I96.2Very high96.7Very high28 Ų2844.1 Ų44.114%0.14423%0.229CC..G310 helixtrans-12127.8178.957.5162.5000111.7V186 D190 Y194 A266 P270 H271 R275V186-I273 HydrophobicContact CB-CD1 4.35Å; V186-I273 HydrophobicContact CG1-CD1 3.69Å; V186-I273 HydrophobicContact CG2-CD1 3.85Å; D190-I273 HydrophobicContact CB-CD1 3.85Å; Y194-I273 HydrophobicContact CD1-CG2 3.68Å; Y194-I273 HydrophobicContact CD2-CG2 3.66Å; Y194-I273 HydrophobicContact CE1-CG2 4.27Å; Y194-I273 HydrophobicContact CE2-CG2 4.28Å; Y194-I273 HydrophobicContact CG-CG2 3.34Å; A266-I273 HydrophobicContact CB-CD1 4.29Å; A266-I273 HydrophobicContact CB-CG1 4.26Å; A266-I273 HydrophobicContact CB-CG2 3.96Å; P270-I273 WeakPolarHBondContact O-CG1 3.41Å; P270-I273 PolarHBondContact O-N 3.01Å; P270-I273 VanDerWaalsContact O-N 3.11Å; H271-I273 PolarHBondContact O-N 2.6Å; H271-I273 VanDerWaalsContact O-N 3.15Å; I273-R275 HydrophobicContact CD1-CG 3.76Å; I273-R275 HydrophobicContact CG1-CB 4.33Å; I273-R275 HydrophobicContact CG1-CG 3.76Å; I273-R275 PolarHBondContact O-N 3.11Å
274D94.7Very high96.7Very high135 Ų13544.1 Ų44.172%0.72223%0.229SC*.THydrogen-bonded Turntrans59.133.8175.8-49.7-57.6000112.7K197 H271K197-D274 IonicContact NZ-OD2 2.63Å; H271-D274 PolarHBondContact O-N 3.02Å; H271-D274 VanDerWaalsContact O-N 3.13Å
275R92.6Very high96.7Very high95 Ų9544.5 Ų44.536%0.35823%0.231SC..  trans-106132.1175-62.3-68.7-164.2161.78.6110.6V186 D190 P270 H271 I273V186-R275 HydrophobicContact CG2-CB 4.31Å; V186-R275 HydrophobicContact CG2-CG 4.13Å; D190-R275 IonicContact OD1-CZ 2.87Å; D190-R275 IonicContact OD1-NH2 3.61Å; D190-R275 PolarHBondContact OD1-NH2 3.38Å; P270-R275 CarbonylContact C-O 3.33Å; P270-R275 HydrophobicContact CB-CB 3.88Å; P270-R275 WeakPolarHBondContact O-CB 3.33Å; P270-R275 PolarHBondContact O-N 3.46Å; H271-R275 PolarHBondContact N-O 2.93Å; I273-R275 HydrophobicContact CD1-CG 3.76Å; I273-R275 HydrophobicContact CG1-CB 4.33Å; I273-R275 HydrophobicContact CG1-CG 3.76Å; I273-R275 PolarHBondContact O-N 3.11Å
276E90.5Very high96.7Very high198 Ų19847.5 Ų47.593%0.92525%0.247SC*.  trans-76.2149.5172.2-62.5-177.217400111.5
277G91.4Very high96.7Very high59 Ų5947.5 Ų47.561%0.60825%0.247SC*.SBendtrans111.6172.8176.800000113.8
278V97Very high96.7Very high47 Ų4747.5 Ų47.529%0.28525%0.247SC..  trans-84.2154.8-178.8-59.20000111.1E282 L283V278-E282 HydrophobicContact CB-CB 3.97Å; V278-E282 HydrophobicContact CB-CG 3.88Å; V278-E282 WeakPolarHBondContact CB-OE2 3.33Å; V278-E282 VanDerWaalsContact CG1-CD 3.41Å; V278-E282 HydrophobicContact CG1-CG 4.04Å; V278-E282 WeakPolarHBondContact CG1-OE2 3.33Å; V278-E282 HydrophobicContact CG2-CB 4.22Å; V278-E282 HydrophobicContact CG2-CG 4.09Å; V278-L283 HydrophobicContact CG2-CB 3.96Å; V278-L283 HydrophobicContact CG2-CD1 4.02Å
279G97.8Very high96.6Very high5 Ų548.7 Ų48.75%0.05225%0.253CS..  trans-68.7173.6175.800000114L267 F268 S281 E282 L283L267-G279 CarbonylContact O-C 3.53Å; L267-G279 WeakPolarHBondContact O-CA 3.48Å; F268-G279 VanDerWaalsContact O-CA 3.28Å; F268-G279 WeakPolarHBondContact O-CA 3.43Å; G279-S281 VanDerWaalsContact C-N 3.32Å; G279-S281 PolarHBondContact O-N 2.8Å; G279-E282 PolarHBondContact O-N 3.44Å; G279-L283 VanDerWaalsContact O-CB 3.27Å; G279-L283 WeakPolarHBondContact O-CB 3.21Å; G279-L283 PolarHBondContact O-N 3.44Å
280I98.1Very high96.7Very high2 Ų248 Ų481%0.0126%0.258CS..Hα-helixtrans-56.7-39.2-174.2-162.9171.9000113.7V159 T166 L184 L267 F268 L284 L319V159-I280 HydrophobicContact CG1-CD1 3.5Å; V159-I280 VanDerWaalsContact CG1-CD1 3.5Å; V159-I280 HydrophobicContact CG1-CG1 3.93Å; T166-I280 HydrophobicContact CG2-CD1 3.81Å; T166-I280 HydrophobicContact CG2-CG1 4.22Å; L184-I280 HydrophobicContact CD2-CB 4.3Å; L267-I280 HydrophobicContact CB-CG2 4.45Å; L267-I280 PolarHBondContact O-N 3.33Å; F268-I280 HydrophobicContact CD1-CG2 3.76Å; F268-I280 HydrophobicContact CE1-CG2 3.6Å; F268-I280 HydrophobicContact CE2-CG2 4.43Å; F268-I280 HydrophobicContact CG-CG2 4.28Å; F268-I280 HydrophobicContact CZ-CG2 3.96Å; I280-L284 VanDerWaalsContact O-CB 3.27Å; I280-L284 WeakPolarHBondContact O-CB 3.37Å; I280-L284 PolarHBondContact O-N 2.91Å; I280-L319 HydrophobicContact CG2-CD1 4.39Å
281S98.2Very high96.6Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-70.4-46.3-179.2-48.70000112.7F268 G279 L284 F285 L319 E322F268-S281 VanDerWaalsContact CD1-OG 3.29Å; F268-S281 WeakPolarHBondContact CD1-OG 3.41Å; F268-S281 WeakPolarHBondContact CE1-OG 3.2Å; G279-S281 VanDerWaalsContact C-N 3.32Å; G279-S281 PolarHBondContact O-N 2.8Å; S281-L284 PolarHBondContact O-N 3.14Å; S281-F285 WeakPolarHBondContact O-CB 3.45Å; S281-F285 PolarHBondContact O-N 3.43Å; S281-L319 WeakPolarHBondContact OG-CD1 3.2Å; S281-E322 WeakPolarHBondContact CB-OE2 3.39Å; S281-E322 PolarHBondContact OG-OE2 3.19Å
282E98.1Very high96.6Very high81 Ų8148.2 Ų48.238%0.37926%0.264SS..Hα-helixtrans-69.6-37.9178.2-178.2176.5-17600110.6V278 G279 L284 F285 N286 L326V278-E282 HydrophobicContact CB-CB 3.97Å; V278-E282 HydrophobicContact CB-CG 3.88Å; V278-E282 WeakPolarHBondContact CB-OE2 3.33Å; V278-E282 VanDerWaalsContact CG1-CD 3.41Å; V278-E282 HydrophobicContact CG1-CG 4.04Å; V278-E282 WeakPolarHBondContact CG1-OE2 3.33Å; V278-E282 HydrophobicContact CG2-CB 4.22Å; V278-E282 HydrophobicContact CG2-CG 4.09Å; G279-E282 PolarHBondContact O-N 3.44Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 2.83Å; E282-F285 PolarHBondContact O-N 3.01Å; E282-N286 VanDerWaalsContact O-CB 3.27Å; E282-N286 WeakPolarHBondContact O-CB 3.31Å; E282-N286 PolarHBondContact O-N 2.76Å; E282-N286 PolarHBondContact O-ND2 3.48Å; E282-L326 HydrophobicContact CB-CD1 4.13Å
283L98.2Very high96.5Very high23 Ų2352 Ų5212%0.1228%0.283CS..Hα-helixtrans-60.3-43.1172.8-166.965.1000111.2I168 R182 L184 V278 G279 T287I168-L283 HydrophobicContact CD1-CB 3.8Å; I168-L283 HydrophobicContact CD1-CD2 3.9Å; I168-L283 HydrophobicContact CD1-CG 3.78Å; I168-L283 HydrophobicContact CG1-CD2 4.35Å; R182-L283 HydrophobicContact CB-CD1 3.88Å; R182-L283 HydrophobicContact CB-CD2 4.11Å; R182-L283 HydrophobicContact CB-CG 3.95Å; R182-L283 HydrophobicContact CG-CD1 4.18Å; L184-L283 HydrophobicContact CB-CD2 3.79Å; V278-L283 HydrophobicContact CG2-CB 3.96Å; V278-L283 HydrophobicContact CG2-CD1 4.02Å; G279-L283 VanDerWaalsContact O-CB 3.27Å; G279-L283 WeakPolarHBondContact O-CB 3.21Å; G279-L283 PolarHBondContact O-N 3.44Å; L283-T287 VanDerWaalsContact O-CB 3.29Å; L283-T287 WeakPolarHBondContact O-CB 3.48Å; L283-T287 PolarHBondContact O-N 3.02Å; L283-T287 PolarHBondContact O-OG1 3.28Å
284L98.5Very high96.5Very high0 Ų057.6 Ų57.60%031%0.313CS..Hα-helixtrans-63.1-49.4176.1177.353.8000111.4V157 V159 I168 I280 S281 E282 N286 T287 I288 I303 L319 I323V157-L284 HydrophobicContact CB-CD1 4.2Å; V157-L284 HydrophobicContact CG1-CD1 3.56Å; V159-L284 HydrophobicContact CG2-CD1 4.1Å; V159-L284 HydrophobicContact CG2-CD2 3.81Å; V159-L284 HydrophobicContact CG2-CG 4.49Å; I168-L284 VanDerWaalsContact CD1-CA 3.47Å; I168-L284 HydrophobicContact CD1-CB 3.73Å; I168-L284 VanDerWaalsContact CD1-N 3.27Å; I168-L284 HydrophobicContact CG2-CD1 3.66Å; I280-L284 VanDerWaalsContact O-CB 3.27Å; I280-L284 WeakPolarHBondContact O-CB 3.37Å; I280-L284 PolarHBondContact O-N 2.91Å; S281-L284 PolarHBondContact O-N 3.14Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 2.83Å; L284-N286 PolarHBondContact O-N 3.22Å; L284-T287 WeakPolarHBondContact O-CB 3.41Å; L284-T287 PolarHBondContact O-N 3.23Å; L284-I288 HydrophobicContact CD1-CD1 3.79Å; L284-I288 HydrophobicContact CD1-CG1 4.16Å; L284-I288 HydrophobicContact CG-CD1 4.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.12Å; L284-I288 PolarHBondContact O-N 3.2Å; L284-I303 HydrophobicContact CD2-CD1 4.1Å; L284-I303 HydrophobicContact CD2-CG1 4.39Å; L284-I303 HydrophobicContact CD2-CG2 3.68Å; L284-L319 HydrophobicContact CD2-CD1 4.21Å; L284-L319 HydrophobicContact CD2-CD2 4.11Å; L284-L319 HydrophobicContact CD2-CG 4.36Å; L284-I323 HydrophobicContact CD2-CD1 3.38Å; L284-I323 HydrophobicContact CD2-CG1 4.44Å; L284-I323 HydrophobicContact CG-CD1 4.05Å
285F98.5Very high96.5Very high8 Ų851.9 Ų51.94%0.03528%0.283CS..Hα-helixtrans-57.4-50.2178174.5-94.6000111.3S281 E282 T287 I288 Q289 Y300 L326 Y327 N330 V331S281-F285 WeakPolarHBondContact O-CB 3.45Å; S281-F285 PolarHBondContact O-N 3.43Å; E282-F285 PolarHBondContact O-N 3.01Å; F285-T287 VanDerWaalsContact C-N 3.29Å; F285-T287 PolarHBondContact O-N 3.07Å; F285-I288 PolarHBondContact O-N 3.29Å; F285-Q289 HydrophobicContact CD1-CG 4.18Å; F285-Q289 HydrophobicContact CD2-CG 4.3Å; F285-Q289 HydrophobicContact CE1-CG 3.76Å; F285-Q289 HydrophobicContact CE2-CG 3.88Å; F285-Q289 HydrophobicContact CG-CG 4.43Å; F285-Q289 HydrophobicContact CZ-CG 3.58Å; F285-Q289 WeakPolarHBondContact O-CB 3.38Å; F285-Q289 VanDerWaalsContact O-CG 3.31Å; F285-Q289 WeakPolarHBondContact O-CG 3.18Å; F285-Q289 PolarHBondContact O-N 2.89Å; F285-Y300 WeakPolarHBondContact CD2-OH 3.44Å; F285-Y300 WeakPolarHBondContact CE2-OH 3.36Å; F285-L326 HydrophobicContact CB-CB 4.42Å; F285-L326 HydrophobicContact CB-CD1 3.69Å; F285-L326 HydrophobicContact CD1-CB 4.17Å; F285-L326 HydrophobicContact CD1-CD1 4.33Å; F285-L326 HydrophobicContact CD2-CB 3.74Å; F285-L326 HydrophobicContact CE1-CB 4.41Å; F285-L326 HydrophobicContact CE2-CB 4.02Å; F285-L326 HydrophobicContact CG-CB 3.84Å; F285-L326 HydrophobicContact CG-CD1 3.95Å; F285-L326 HydrophobicContact CG-CG 4.49Å; F285-L326 HydrophobicContact CZ-CB 4.34Å; F285-Y327 HydrophobicContact CE2-CD2 4.27Å; F285-N330 HydrophobicContact CE1-CB 4.2Å; F285-N330 HydrophobicContact CZ-CB 3.97Å; F285-V331 HydrophobicContact CE2-CG2 3.96Å; F285-V331 HydrophobicContact CZ-CG2 3.73Å
286N98.1Very high96.7Very high67 Ų6750.2 Ų50.236%0.35828%0.277SS..Hα-helixtrans-62.2-36.9178.4-70.6-18.2000111.8E282 L284 Q289 A290E282-N286 VanDerWaalsContact O-CB 3.27Å; E282-N286 WeakPolarHBondContact O-CB 3.31Å; E282-N286 PolarHBondContact O-N 2.76Å; E282-N286 PolarHBondContact O-ND2 3.48Å; L284-N286 PolarHBondContact O-N 3.22Å; N286-Q289 PolarHBondContact O-N 2.97Å; N286-A290 WeakPolarHBondContact O-CB 3.23Å; N286-A290 PolarHBondContact O-N 3.47Å
287T98Very high96.9Very high1 Ų144.9 Ų44.91%0.00626%0.259CS..Hα-helixtrans-63.2-47175.9-60.40000111.6I168 P170 L180 R182 L283 L284 F285 A290I168-T287 HydrophobicContact CG2-CG2 3.81Å; P170-T287 HydrophobicContact CG-CG2 3.42Å; P170-T287 VanDerWaalsContact CG-CG2 3.42Å; L180-T287 VanDerWaalsContact O-CG2 3.29Å; L180-T287 WeakPolarHBondContact O-CG2 3.49Å; R182-T287 HydrophobicContact CG-CG2 4.47Å; R182-T287 WeakPolarHBondContact CG-OG1 3.36Å; L283-T287 VanDerWaalsContact O-CB 3.29Å; L283-T287 WeakPolarHBondContact O-CB 3.48Å; L283-T287 PolarHBondContact O-N 3.02Å; L283-T287 PolarHBondContact O-OG1 3.28Å; L284-T287 WeakPolarHBondContact O-CB 3.41Å; L284-T287 PolarHBondContact O-N 3.23Å; F285-T287 VanDerWaalsContact C-N 3.29Å; F285-T287 PolarHBondContact O-N 3.07Å; T287-A290 PolarHBondContact O-N 3.04Å
288I98.1Very high97.1Very high0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-67.4-41177.7-64.1169.9000110.7V157 L284 F285 A290 A291 R296 L299 Y300 I303V157-I288 HydrophobicContact CG2-CD1 4.23Å; V157-I288 HydrophobicContact CG2-CG1 3.85Å; L284-I288 HydrophobicContact CD1-CD1 3.79Å; L284-I288 HydrophobicContact CD1-CG1 4.16Å; L284-I288 HydrophobicContact CG-CD1 4.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.12Å; L284-I288 PolarHBondContact O-N 3.2Å; F285-I288 PolarHBondContact O-N 3.29Å; I288-A290 PolarHBondContact O-N 3.48Å; I288-A291 WeakPolarHBondContact O-CB 3.35Å; I288-A291 PolarHBondContact O-N 2.67Å; I288-A291 VanDerWaalsContact O-N 3.13Å; I288-R296 HydrophobicContact CG2-CB 4.09Å; I288-R296 HydrophobicContact CG2-CG 4.32Å; I288-R296 WeakPolarHBondContact O-CG 3.09Å; I288-L299 HydrophobicContact CG1-CB 4.23Å; I288-L299 HydrophobicContact CG2-CB 4.01Å; I288-L299 HydrophobicContact CG2-CD1 4.38Å; I288-Y300 HydrophobicContact CB-CE1 4.24Å; I288-Y300 HydrophobicContact CB-CE2 4.33Å; I288-Y300 HydrophobicContact CD1-CD1 3.68Å; I288-Y300 HydrophobicContact CD1-CE1 3.61Å; I288-Y300 HydrophobicContact CD1-CG 4.33Å; I288-Y300 HydrophobicContact CG2-CD1 4.27Å; I288-Y300 HydrophobicContact CG2-CD2 3.67Å; I288-Y300 HydrophobicContact CG2-CE1 3.96Å; I288-Y300 HydrophobicContact CG2-CE2 3.34Å; I288-Y300 HydrophobicContact CG2-CG 4.12Å; I288-Y300 VanDerWaalsContact CG2-CZ 3.48Å; I288-I303 HydrophobicContact CD1-CD1 4.21Å; I288-I303 HydrophobicContact CD1-CG1 4.28Å
289Q97.5Very high97.2Very high40 Ų4040.9 Ų40.919%0.18723%0.228CC..Hα-helixtrans-68.4-20.7178.6-70.2-59.9-35.300113.6F285 N286 A291 R296 Y300F285-Q289 HydrophobicContact CD1-CG 4.18Å; F285-Q289 HydrophobicContact CD2-CG 4.3Å; F285-Q289 HydrophobicContact CE1-CG 3.76Å; F285-Q289 HydrophobicContact CE2-CG 3.88Å; F285-Q289 HydrophobicContact CG-CG 4.43Å; F285-Q289 HydrophobicContact CZ-CG 3.58Å; F285-Q289 WeakPolarHBondContact O-CB 3.38Å; F285-Q289 VanDerWaalsContact O-CG 3.31Å; F285-Q289 WeakPolarHBondContact O-CG 3.18Å; F285-Q289 PolarHBondContact O-N 2.89Å; N286-Q289 PolarHBondContact O-N 2.97Å; Q289-A291 VanDerWaalsContact C-N 3.33Å; Q289-R296 PolarHBondContact O-NE 2.95Å; Q289-R296 PolarHBondContact O-NH2 3.44Å; Q289-Y300 PolarHBondContact NE2-OH 2.91Å
290A97.6Very high97.2Very high52 Ų5240.9 Ų40.943%0.4323%0.227SC..THydrogen-bonded Turntrans-79.2-15173.200000113.4L180 N286 T287 I288L180-A290 HydrophobicContact CD2-CB 3.89Å; N286-A290 WeakPolarHBondContact O-CB 3.23Å; N286-A290 PolarHBondContact O-N 3.47Å; T287-A290 PolarHBondContact O-N 3.04Å; I288-A290 PolarHBondContact O-N 3.48Å
291A97.1Very high97.1Very high3 Ų346.5 Ų46.53%0.02525%0.251CS..SBendtrans-74.4163.2175.600000112.1L180 I288 Q289 T295 R296 L299L180-A291 HydrophobicContact CD1-CB 3.61Å; I288-A291 WeakPolarHBondContact O-CB 3.35Å; I288-A291 PolarHBondContact O-N 2.67Å; I288-A291 VanDerWaalsContact O-N 3.13Å; Q289-A291 VanDerWaalsContact C-N 3.33Å; A291-T295 WeakPolarHBondContact CB-OG1 3.48Å; A291-R296 HydrophobicContact CB-CG 4.43Å; A291-R296 VanDerWaalsContact O-CZ 3.31Å; A291-R296 PolarHBondContact O-NE 3.2Å; A291-R296 PolarHBondContact O-NH2 3.41Å; A291-L299 HydrophobicContact CB-CD1 3.69Å
292D95.8Very high97Very high123 Ų12348.3 Ų48.366%0.65826%0.259SS*.  trans-58.7139.8175.1-65.8-31.9000111D294 T295 R296D292-D294 PolarHBondContact O-N 3.39Å; D292-D294 VanDerWaalsContact O-N 3.1Å; D292-T295 HydrophobicContact CB-CG2 4.08Å; D292-T295 PolarHBondContact O-N 3.15Å; D292-T295 PolarHBondContact O-OG1 2.96Å; D292-R296 WeakPolarHBondContact O-CG 3.16Å; D292-R296 PolarHBondContact O-N 3.41Å
293I95.1Very high97.1Very high124 Ų12444.5 Ų44.564%0.63624%0.241SC*.THydrogen-bonded Turntrans-51.3-41.2-172.6-66.1172.7000111.9T295 R296 P297I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 3.1Å; I293-R296 PolarHBondContact O-N 3.2Å; I293-P297 WeakPolarHBondContact O-CD 3.35Å
294D95Very high97Very high147 Ų14743.4 Ų43.479%0.78624%0.236SC*.THydrogen-bonded Turntrans-71.3-22.2-177.6-61.2-30.2000113.3D292D292-D294 PolarHBondContact O-N 3.39Å; D292-D294 VanDerWaalsContact O-N 3.1Å
295T94.7Very high97Very high15 Ų1543.4 Ų43.49%0.09224%0.236CC..THydrogen-bonded Turntrans-86.6-28.8179.769.60000112.5Y172 A291 D292 I293 P297 G298 L299Y172-T295 HydrophobicContact CD2-CG2 3.91Å; Y172-T295 HydrophobicContact CE2-CG2 3.7Å; Y172-T295 HydrophobicContact CG-CG2 4.46Å; A291-T295 WeakPolarHBondContact CB-OG1 3.48Å; D292-T295 HydrophobicContact CB-CG2 4.08Å; D292-T295 PolarHBondContact O-N 3.15Å; D292-T295 PolarHBondContact O-OG1 2.96Å; I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 3.1Å; T295-P297 VanDerWaalsContact C-CD 3.46Å; T295-G298 PolarHBondContact O-N 3.03Å; T295-L299 PolarHBondContact O-N 2.62Å; T295-L299 VanDerWaalsContact O-N 3.17Å
296R97.1Very high96.9Very high60 Ų6043 Ų4323%0.22623%0.234CC..Hα-helixtrans-54.3-41.8-174.2-55.9-173.9-171.9160.712.3114I288 Q289 A291 D292 I293 G298 L299 Y300I288-R296 HydrophobicContact CG2-CB 4.09Å; I288-R296 HydrophobicContact CG2-CG 4.32Å; I288-R296 WeakPolarHBondContact O-CG 3.09Å; Q289-R296 PolarHBondContact O-NE 2.95Å; Q289-R296 PolarHBondContact O-NH2 3.44Å; A291-R296 HydrophobicContact CB-CG 4.43Å; A291-R296 VanDerWaalsContact O-CZ 3.31Å; A291-R296 PolarHBondContact O-NE 3.2Å; A291-R296 PolarHBondContact O-NH2 3.41Å; D292-R296 WeakPolarHBondContact O-CG 3.16Å; D292-R296 PolarHBondContact O-N 3.41Å; I293-R296 PolarHBondContact O-N 3.2Å; R296-G298 VanDerWaalsContact C-N 3.29Å; R296-G298 PolarHBondContact O-N 2.82Å; R296-L299 PolarHBondContact O-N 3.39Å; R296-Y300 HydrophobicContact CB-CD2 4.38Å; R296-Y300 HydrophobicContact CB-CE2 4.42Å; R296-Y300 WeakPolarHBondContact O-CD2 3.25Å; R296-Y300 PolarHBondContact O-N 3.14Å
297P95.8Very high96.8Very high85 Ų8540.2 Ų40.255%0.55222%0.221SC*.Hα-helixtrans-59.9-38.8177.6-2535.7000112.8I293 T295 K301I293-P297 WeakPolarHBondContact O-CD 3.35Å; T295-P297 VanDerWaalsContact C-CD 3.46Å; P297-K301 VanDerWaalsContact O-CB 3.23Å; P297-K301 WeakPolarHBondContact O-CB 3.19Å; P297-K301 PolarHBondContact O-N 3.29Å
298G95.8Very high96.7Very high23 Ų2341.8 Ų41.824%0.23724%0.237CC..Hα-helixtrans-65.5-41.3175.800000112.2T295 R296 K301 H302T295-G298 PolarHBondContact O-N 3.03Å; R296-G298 VanDerWaalsContact C-N 3.29Å; R296-G298 PolarHBondContact O-N 2.82Å; G298-K301 PolarHBondContact O-N 2.93Å; G298-H302 PolarHBondContact O-N 2.99Å
299L97.4Very high96.7Very high0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-65.5-45.9177.1-63.9-172.2000112.6T155 G156 V157 P170 I288 A291 T295 R296 K301 H302T155-L299 HydrophobicContact CG2-CD2 4.34Å; G156-L299 WeakPolarHBondContact O-CD2 3.24Å; V157-L299 HydrophobicContact CG2-CB 3.66Å; V157-L299 HydrophobicContact CG2-CD1 4.06Å; V157-L299 HydrophobicContact CG2-CD2 3.72Å; V157-L299 HydrophobicContact CG2-CG 3.99Å; P170-L299 HydrophobicContact CB-CD1 4.21Å; P170-L299 HydrophobicContact CB-CD2 4.25Å; I288-L299 HydrophobicContact CG1-CB 4.23Å; I288-L299 HydrophobicContact CG2-CB 4.01Å; I288-L299 HydrophobicContact CG2-CD1 4.38Å; A291-L299 HydrophobicContact CB-CD1 3.69Å; T295-L299 PolarHBondContact O-N 2.62Å; T295-L299 VanDerWaalsContact O-N 3.17Å; R296-L299 PolarHBondContact O-N 3.39Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 3Å; L299-H302 CarbonylContact O-C 3.58Å; L299-H302 PolarHBondContact O-N 2.85Å
300Y97.8Very high96.8Very high5 Ų540.2 Ų40.22%0.0223%0.231CC..Hα-helixtrans-65.9-35.1176.7-82.1-59000113F285 I288 Q289 R296 H302 I303 I323 Y327 F342 M344 C345F285-Y300 WeakPolarHBondContact CD2-OH 3.44Å; F285-Y300 WeakPolarHBondContact CE2-OH 3.36Å; I288-Y300 HydrophobicContact CB-CE1 4.24Å; I288-Y300 HydrophobicContact CB-CE2 4.33Å; I288-Y300 HydrophobicContact CD1-CD1 3.68Å; I288-Y300 HydrophobicContact CD1-CE1 3.61Å; I288-Y300 HydrophobicContact CD1-CG 4.33Å; I288-Y300 HydrophobicContact CG2-CD1 4.27Å; I288-Y300 HydrophobicContact CG2-CD2 3.67Å; I288-Y300 HydrophobicContact CG2-CE1 3.96Å; I288-Y300 HydrophobicContact CG2-CE2 3.34Å; I288-Y300 HydrophobicContact CG2-CG 4.12Å; I288-Y300 VanDerWaalsContact CG2-CZ 3.48Å; Q289-Y300 PolarHBondContact NE2-OH 2.91Å; R296-Y300 HydrophobicContact CB-CD2 4.38Å; R296-Y300 HydrophobicContact CB-CE2 4.42Å; R296-Y300 WeakPolarHBondContact O-CD2 3.25Å; R296-Y300 PolarHBondContact O-N 3.14Å; Y300-H302 PolarHBondContact O-N 3.12Å; Y300-I303 HydrophobicContact CD1-CD1 4.39Å; Y300-I323 HydrophobicContact CD1-CG2 4.28Å; Y300-I323 HydrophobicContact CE1-CG2 3.8Å; Y300-Y327 HydrophobicContact CE2-CD2 4.15Å; Y300-Y327 HydrophobicContact CE2-CE2 4Å; Y300-F342 HydrophobicContact CD1-CE2 4.15Å; Y300-F342 AromaticContact CD1-CZ 3.79Å; Y300-F342 HydrophobicContact CD1-CZ 3.79Å; Y300-F342 AromaticContact CD2-CE2 3.89Å; Y300-F342 HydrophobicContact CD2-CE2 3.89Å; Y300-F342 HydrophobicContact CD2-CZ 4.33Å; Y300-F342 HydrophobicContact CE1-CZ 4.07Å; Y300-F342 HydrophobicContact CE2-CE2 4.28Å; Y300-F342 AromaticContact CG-CE2 3.83Å; Y300-F342 HydrophobicContact CG-CE2 3.83Å; Y300-F342 AromaticContact CG-CZ 3.95Å; Y300-F342 HydrophobicContact CG-CZ 3.95Å; Y300-M344 CarbonylContact O-C 3.5Å; Y300-M344 WeakPolarHBondContact O-CA 3.46Å; Y300-M344 WeakPolarHBondContact O-CB 3.36Å; Y300-C345 PolarHBondContact O-N 3.43Å
301K96.8Very high96.8Very high120 Ų12041.1 Ų41.152%0.52223%0.227SC..Hα-helixtrans-67.4-22.7179.1-170.9-177.3173.9-163.60112.6P297 G298 L299 C345P297-K301 VanDerWaalsContact O-CB 3.23Å; P297-K301 WeakPolarHBondContact O-CB 3.19Å; P297-K301 PolarHBondContact O-N 3.29Å; G298-K301 PolarHBondContact O-N 2.93Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 3Å; K301-C345 WeakPolarHBondContact O-CB 3.38Å
302H97.1Very high96.8Very high38 Ų3841.5 Ų41.518%0.17623%0.228CC..  trans-136.373.5-175.2-65.2-66.7000111.2L153 G156 V157 G298 L299 Y300 E347L153-H302 HydrophobicContact CD1-CB 4.15Å; G156-H302 CarbonylContact C-O 3.43Å; G156-H302 WeakPolarHBondContact CA-O 3.32Å; V157-H302 PolarHBondContact N-O 3.22Å; G298-H302 PolarHBondContact O-N 2.99Å; L299-H302 CarbonylContact O-C 3.58Å; L299-H302 PolarHBondContact O-N 2.85Å; Y300-H302 PolarHBondContact O-N 3.12Å; H302-E347 IonicContact CE1-OE1 2.64Å; H302-E347 IonicContact CG-OE1 3.85Å; H302-E347 IonicContact ND1-OE1 2.67Å; H302-E347 PolarHBondContact ND1-OE1 3.36Å
303I98.2Very high97Very high0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-91.3107.8168.8-63.2160000107.8V157 V159 L284 I288 Y300 I323 M344 C345 I346 E347V157-I303 CarbonylContact O-C 3.56Å; V157-I303 WeakPolarHBondContact O-CA 3.42Å; V159-I303 HydrophobicContact CG2-CG2 4.05Å; L284-I303 HydrophobicContact CD2-CD1 4.1Å; L284-I303 HydrophobicContact CD2-CG1 4.39Å; L284-I303 HydrophobicContact CD2-CG2 3.68Å; I288-I303 HydrophobicContact CD1-CD1 4.21Å; I288-I303 HydrophobicContact CD1-CG1 4.28Å; Y300-I303 HydrophobicContact CD1-CD1 4.39Å; I303-I323 HydrophobicContact CD1-CD1 3.89Å; I303-M344 HydrophobicContact CD1-CE 4.03Å; I303-C345 WeakPolarHBondContact CB-O 3.33Å; I303-C345 PolarHBondContact N-O 3.09Å; I303-I346 HydrophobicContact CB-CG1 4.14Å; I303-I346 HydrophobicContact CD1-CG1 4.24Å; I303-I346 HydrophobicContact CG2-CG1 4.19Å; I303-I346 CarbonylContact O-C 3.5Å; I303-I346 WeakPolarHBondContact O-CA 3.23Å; I303-E347 PolarHBondContact O-N 3.32Å
304V97.9Very high97.1Very high0 Ų035.2 Ų35.20%021%0.207CC..EExtended strand (participates in β ladder)trans-102.7123.5-175.8-175.90000110.5L148 Q151 L153 V157 V158 V159 E347L148-V304 HydrophobicContact CD2-CB 3.99Å; L148-V304 HydrophobicContact CD2-CG2 3.49Å; L148-V304 VanDerWaalsContact CD2-CG2 3.49Å; Q151-V304 HydrophobicContact CG-CG1 4.25Å; L153-V304 HydrophobicContact CD1-CG2 3.82Å; V157-V304 PolarHBondContact O-N 3.13Å; V158-V304 WeakPolarHBondContact CA-O 3.5Å; V159-V304 PolarHBondContact N-O 3.36Å; V304-E347 HydrophobicContact CG2-CB 4.19Å
305L98.1Very high97.3Very high0 Ų028.3 Ų28.30%017%0.17CC..EExtended strand (participates in β ladder)trans-86.1135.9176.3-56.6-171.2000111.1V159 T310 L315 P316 L319 I346 E347 A348 R352V159-L305 HydrophobicContact CB-CD2 3.76Å; V159-L305 HydrophobicContact CG1-CD2 4.29Å; V159-L305 HydrophobicContact CG2-CD2 4.17Å; L305-T310 HydrophobicContact CB-CG2 4.25Å; L305-L315 HydrophobicContact CD1-CD2 3.63Å; L305-P316 HydrophobicContact CD1-CB 4.22Å; L305-P316 HydrophobicContact CD1-CG 3.89Å; L305-L319 HydrophobicContact CD2-CD2 3.78Å; L305-I346 HydrophobicContact CD1-CG2 3.8Å; L305-I346 HydrophobicContact CD2-CG2 4.14Å; L305-I346 HydrophobicContact CG-CG2 3.8Å; L305-E347 PolarHBondContact N-O 2.92Å; L305-A348 HydrophobicContact CD1-CB 3.9Å; L305-A348 HydrophobicContact CG-CB 4.41Å; L305-R352 WeakPolarHBondContact O-CB 3.48Å
306S96.9Very high97.4Very high1 Ų129 Ų291%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-140.8158.6174.5-159.60000112.3T147 V159 D160 S161 T310 R352 M355T147-S306 WeakPolarHBondContact CG2-OG 3.48Å; V159-S306 PolarHBondContact O-N 3.29Å; D160-S306 WeakPolarHBondContact CA-O 3.32Å; S161-S306 PolarHBondContact N-O 3.21Å; S306-T310 WeakPolarHBondContact O-CG2 3.4Å; S306-T310 PolarHBondContact O-OG1 3.21Å; S306-R352 PolarHBondContact OG-O 2.99Å; S306-M355 WeakPolarHBondContact OG-CB 3.14Å
307G95.7Very high97.5Very high8 Ų829 Ų298%0.08218%0.184CC..SBendtrans89.8158.4175.500000113.9S161 S309 T310 R352S161-G307 CarbonylContact O-C 3.51Å; S161-G307 WeakPolarHBondContact O-CA 3.19Å; G307-S309 VanDerWaalsContact C-N 3.32Å; G307-S309 PolarHBondContact O-N 3.38Å; G307-T310 PolarHBondContact O-N 2.69Å; G307-T310 PolarHBondContact O-OG1 3.25Å; G307-R352 PolarHBondContact N-O 2.92Å
308G96.1Very high97.6Very high34 Ų3425.4 Ų25.435%0.35116%0.159SC..G310 helixtrans-64.2-31.2-17100000114.6S161 T310 M311S161-G308 PolarHBondContact O-N 2.84Å; G308-T310 PolarHBondContact O-N 2.97Å; G308-M311 WeakPolarHBondContact O-CB 3.06Å; G308-M311 VanDerWaalsContact O-CG 3.28Å; G308-M311 WeakPolarHBondContact O-CG 3.48Å; G308-M311 PolarHBondContact O-N 2.96Å; G308-M311 VanDerWaalsContact O-N 3.16Å
309S97.8Very high97.7Very high6 Ų624.4 Ų24.44%0.04215%0.148CC..G310 helixtrans-79.8-3.9-179.3-63.30000113.2S161 G162 G188 G307 M311 Y312 L315S161-S309 WeakPolarHBondContact O-CB 3.47Å; S161-S309 PolarHBondContact O-N 3.37Å; S161-S309 VanDerWaalsContact OG-CB 3.25Å; S161-S309 WeakPolarHBondContact OG-CB 3.39Å; G162-S309 PolarHBondContact O-OG 2.6Å; G188-S309 WeakPolarHBondContact CA-OG 3.47Å; G188-S309 PolarHBondContact N-OG 3.36Å; G188-S309 VanDerWaalsContact N-OG 3.09Å; G307-S309 VanDerWaalsContact C-N 3.32Å; G307-S309 PolarHBondContact O-N 3.38Å; S309-M311 VanDerWaalsContact C-N 3.3Å; S309-Y312 WeakPolarHBondContact O-CD2 3.37Å; S309-Y312 VanDerWaalsContact O-CE2 3.27Å; S309-Y312 WeakPolarHBondContact O-CE2 3.29Å; S309-L315 WeakPolarHBondContact O-CD1 3.41Å
310T98.4Very high97.7Very high0 Ų027.7 Ų27.70%016%0.164CC..G310 helixtrans-87.81167.270.10000112.9L305 S306 G307 G308 Y312 R352L305-T310 HydrophobicContact CB-CG2 4.25Å; S306-T310 WeakPolarHBondContact O-CG2 3.4Å; S306-T310 PolarHBondContact O-OG1 3.21Å; G307-T310 PolarHBondContact O-N 2.69Å; G307-T310 PolarHBondContact O-OG1 3.25Å; G308-T310 PolarHBondContact O-N 2.97Å; T310-Y312 VanDerWaalsContact C-N 3.34Å; T310-R352 PolarHBondContact O-NE 3.21Å; T310-R352 PolarHBondContact O-NH2 2.73Å; T310-R352 WeakPolarHBondContact OG1-CD 3.44Å
311M98.1Very high97.7Very high71 Ų7130 Ų3035%0.3517%0.173SC..  trans-81.4-8.3-177.4-64.2-61.2-68.200114.1G308 S309 R352 K353G308-M311 WeakPolarHBondContact O-CB 3.06Å; G308-M311 VanDerWaalsContact O-CG 3.28Å; G308-M311 WeakPolarHBondContact O-CG 3.48Å; G308-M311 PolarHBondContact O-N 2.96Å; G308-M311 VanDerWaalsContact O-N 3.16Å; S309-M311 VanDerWaalsContact C-N 3.3Å; M311-R352 HydrophobicContact SD-CG 3.38Å; M311-R352 WeakPolarHBondContact SD-CG 3.37Å; M311-R352 VanDerWaalsContact SD-CZ 3.57Å; M311-K353 HydrophobicContact CG-CB 4.11Å; M311-K353 HydrophobicContact SD-CB 4.1Å
312Y98.2Very high97.8Very high12 Ų1226.2 Ų26.25%0.04716%0.156CC..SBendtrans-57.5129.9177.7-63.3-66.9000111.1I191 K219 C223 V225 P264 L267 S309 T310 G314 L315I191-Y312 HydrophobicContact CD1-CE2 3.77Å; I191-Y312 WeakPolarHBondContact CD1-OH 3.39Å; I191-Y312 WeakPolarHBondContact CG2-OH 3.46Å; K219-Y312 VanDerWaalsContact CD-OH 3.24Å; K219-Y312 WeakPolarHBondContact CD-OH 3.48Å; K219-Y312 WeakPolarHBondContact CE-OH 3.49Å; K219-Y312 HydrophobicContact CG-CE1 4.09Å; C223-Y312 HydrophobicContact CB-CD1 4.02Å; C223-Y312 HydrophobicContact CB-CE1 3.8Å; V225-Y312 HydrophobicContact CG2-CD2 4.34Å; V225-Y312 HydrophobicContact CG2-CG 4.24Å; P264-Y312 HydrophobicContact CB-CD1 4.42Å; P264-Y312 HydrophobicContact CB-CD2 4.23Å; P264-Y312 HydrophobicContact CB-CE1 4.43Å; P264-Y312 HydrophobicContact CB-CE2 4.25Å; P264-Y312 HydrophobicContact CB-CG 4.33Å; P264-Y312 HydrophobicContact CG-CD1 3.91Å; P264-Y312 HydrophobicContact CG-CE1 3.78Å; P264-Y312 HydrophobicContact CG-CE2 4.43Å; P264-Y312 HydrophobicContact CG-CG 4.31Å; L267-Y312 HydrophobicContact CD1-CD2 4.31Å; L267-Y312 HydrophobicContact CD1-CE2 4.09Å; S309-Y312 WeakPolarHBondContact O-CD2 3.37Å; S309-Y312 VanDerWaalsContact O-CE2 3.27Å; S309-Y312 WeakPolarHBondContact O-CE2 3.29Å; T310-Y312 VanDerWaalsContact C-N 3.34Å; Y312-G314 PolarHBondContact O-N 3.22Å; Y312-L315 HydrophobicContact CD2-CD1 4.12Å; Y312-L315 WeakPolarHBondContact O-CB 3.46Å; Y312-L315 PolarHBondContact O-N 3.17Å
313P98.3Very high97.8Very high86 Ų8624.4 Ų24.456%0.55815%0.148SC*.THydrogen-bonded Turntrans-54.6138.9168.8-24.634.4000110.5V225 L315V225-P313 PolarHBondContact N-O 2.87Å; P313-L315 VanDerWaalsContact C-N 3.29Å; P313-L315 PolarHBondContact O-N 3.44Å
314G97.9Very high97.8Very high29 Ų2927.5 Ų27.530%0.29916%0.162SC..THydrogen-bonded Turntrans84.9-16.4-179.800000115.7Y312 S317 R318Y312-G314 PolarHBondContact O-N 3.22Å; G314-S317 PolarHBondContact O-N 2.88Å; G314-R318 PolarHBondContact O-N 3.26Å
315L98.5Very high97.7Very high2 Ų232 Ų321%0.0118%0.183CC..Hα-helixtrans-58.3-47.5-177.3-176.8152.1000113.5V225 L267 F268 L305 S309 Y312 P313 S317 R318 L319V225-L315 HydrophobicContact CB-CB 4.17Å; V225-L315 HydrophobicContact CG2-CB 3.92Å; V225-L315 HydrophobicContact CG2-CD1 4.22Å; V225-L315 HydrophobicContact CG2-CG 4.37Å; L267-L315 HydrophobicContact CD1-CD1 4.27Å; F268-L315 HydrophobicContact CZ-CG 4.45Å; L305-L315 HydrophobicContact CD1-CD2 3.63Å; S309-L315 WeakPolarHBondContact O-CD1 3.41Å; Y312-L315 HydrophobicContact CD2-CD1 4.12Å; Y312-L315 WeakPolarHBondContact O-CB 3.46Å; Y312-L315 PolarHBondContact O-N 3.17Å; P313-L315 VanDerWaalsContact C-N 3.29Å; P313-L315 PolarHBondContact O-N 3.44Å; L315-S317 VanDerWaalsContact C-N 3.31Å; L315-S317 PolarHBondContact O-N 3.35Å; L315-R318 PolarHBondContact O-N 3.07Å; L315-L319 WeakPolarHBondContact O-CB 3.39Å; L315-L319 PolarHBondContact O-N 3.05Å
316P98.3Very high97.7Very high28 Ų2833.2 Ų33.218%0.18219%0.189CC..Hα-helixtrans-59.1-42.3177.5-23.433.8000112.5L305 L319 E320 I346 A348L305-P316 HydrophobicContact CD1-CB 4.22Å; L305-P316 HydrophobicContact CD1-CG 3.89Å; P316-L319 PolarHBondContact O-N 3.14Å; P316-E320 WeakPolarHBondContact O-CB 3.11Å; P316-E320 PolarHBondContact O-N 3.06Å; P316-I346 HydrophobicContact CB-CG2 4.11Å; P316-A348 HydrophobicContact CB-CB 4.07Å; P316-A348 HydrophobicContact CG-CB 3.58Å
317S98.1Very high97.7Very high60 Ų6035.3 Ų35.342%0.4220%0.197SC..Hα-helixtrans-69.5-40.4-178.4-52.30000112.7G314 L315 E320 R321G314-S317 PolarHBondContact O-N 2.88Å; L315-S317 VanDerWaalsContact C-N 3.31Å; L315-S317 PolarHBondContact O-N 3.35Å; S317-E320 PolarHBondContact O-N 3.08Å; S317-R321 PolarHBondContact O-N 2.98Å
318R98.2Very high97.8Very high11 Ų1137.1 Ų37.14%0.04221%0.205CC..Hα-helixtrans-62.6-46.5174174.561.5175.6-70.9-8.6111V225 A226 E265 F268 G314 L315 E320 R321 E322V225-R318 HydrophobicContact CG1-CB 3.57Å; V225-R318 HydrophobicContact CG1-CG 3.66Å; A226-R318 WeakPolarHBondContact O-CD 3.49Å; A226-R318 PolarHBondContact O-NH1 3.43Å; E265-R318 IonicContact OE1-CZ 2.6Å; E265-R318 IonicContact OE1-NH1 2.86Å; E265-R318 IonicContact OE1-NH2 3.89Å; E265-R318 PolarHBondContact OE1-NH2 2.83Å; E265-R318 IonicContact OE2-CZ 3.05Å; E265-R318 IonicContact OE2-NH1 3.25Å; E265-R318 PolarHBondContact OE2-NH1 2.85Å; E265-R318 IonicContact OE2-NH2 2.77Å; E265-R318 PolarHBondContact OE2-NH2 3.41Å; F268-R318 HydrophobicContact CD1-CG 4.18Å; F268-R318 HydrophobicContact CE1-CB 4.49Å; F268-R318 HydrophobicContact CE1-CG 3.61Å; F268-R318 HydrophobicContact CE2-CG 4.21Å; F268-R318 HydrophobicContact CZ-CB 4.23Å; F268-R318 HydrophobicContact CZ-CG 3.63Å; G314-R318 PolarHBondContact O-N 3.26Å; L315-R318 PolarHBondContact O-N 3.07Å; R318-E320 VanDerWaalsContact C-N 3.31Å; R318-E320 PolarHBondContact O-N 3.18Å; R318-R321 PolarHBondContact O-N 3.09Å; R318-E322 IonicContact CZ-OE1 3.61Å; R318-E322 IonicContact NE-OE1 3.91Å; R318-E322 PolarHBondContact NE-OE1 3.28Å; R318-E322 IonicContact NH2-OE1 3.02Å; R318-E322 PolarHBondContact NH2-OE1 3.01Å; R318-E322 PolarHBondContact O-N 3.42Å
319L98Very high97.9Very high1 Ų141.7 Ų41.71%0.00522%0.217CC..Hα-helixtrans-61.6-40.7177.8-172.364.7000111.3I280 S281 L284 L305 L315 P316 I323 I346I280-L319 HydrophobicContact CG2-CD1 4.39Å; S281-L319 WeakPolarHBondContact OG-CD1 3.2Å; L284-L319 HydrophobicContact CD2-CD1 4.21Å; L284-L319 HydrophobicContact CD2-CD2 4.11Å; L284-L319 HydrophobicContact CD2-CG 4.36Å; L305-L319 HydrophobicContact CD2-CD2 3.78Å; L315-L319 WeakPolarHBondContact O-CB 3.39Å; L315-L319 PolarHBondContact O-N 3.05Å; P316-L319 PolarHBondContact O-N 3.14Å; L319-I323 HydrophobicContact CD1-CD1 4.07Å; L319-I323 HydrophobicContact CD1-CG1 4.42Å; L319-I323 HydrophobicContact CG-CD1 3.89Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 VanDerWaalsContact O-CG1 3.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.12Å; L319-I323 PolarHBondContact O-N 2.91Å; L319-I346 HydrophobicContact CB-CD1 3.8Å; L319-I346 HydrophobicContact CD2-CD1 3.94Å; L319-I346 HydrophobicContact CG-CD1 3.71Å
320E97.8Very high97.8Very high70 Ų7044.5 Ų44.533%0.32723%0.231SC..Hα-helixtrans-61.5-47.4176-161.8-176.4159.500111.7P316 S317 R318 K324 M344 I346P316-E320 WeakPolarHBondContact O-CB 3.11Å; P316-E320 PolarHBondContact O-N 3.06Å; S317-E320 PolarHBondContact O-N 3.08Å; R318-E320 VanDerWaalsContact C-N 3.31Å; R318-E320 PolarHBondContact O-N 3.18Å; E320-K324 HydrophobicContact CG-CD 4.26Å; E320-K324 VanDerWaalsContact O-CB 3.32Å; E320-K324 WeakPolarHBondContact O-CB 3.43Å; E320-K324 VanDerWaalsContact O-CG 3.3Å; E320-K324 WeakPolarHBondContact O-CG 3.44Å; E320-K324 PolarHBondContact O-N 2.76Å; E320-K324 WeakPolarHBondContact OE1-CE 3.33Å; E320-K324 IonicContact OE1-NZ 2.88Å; E320-K324 PolarHBondContact OE1-NZ 3.34Å; E320-M344 HydrophobicContact CG-CE 4.17Å; E320-M344 HydrophobicContact CG-SD 4.37Å; E320-I346 VanDerWaalsContact CA-CD1 3.44Å; E320-I346 HydrophobicContact CB-CD1 3.76Å; E320-I346 HydrophobicContact CG-CD1 4.36Å
321R97.5Very high97.7Very high54 Ų5447.1 Ų47.120%0.20425%0.247CC..Hα-helixtrans-58.5-51.9177.6169.7-179.8160.8162.81.7111.3Y227 D228 S317 R318 K324 Q325Y227-R321 HydrophobicContact CD2-CB 4.49Å; Y227-R321 HydrophobicContact CE2-CB 3.68Å; Y227-R321 HydrophobicContact CE2-CG 4.26Å; Y227-R321 VanDerWaalsContact CZ-CD 3.41Å; Y227-R321 PolarHBondContact O-NH1 2.89Å; D228-R321 VanDerWaalsContact CB-NH1 3.33Å; D228-R321 IonicContact OD2-CZ 3.12Å; D228-R321 IonicContact OD2-NH1 2.79Å; D228-R321 PolarHBondContact OD2-NH1 3.21Å; D228-R321 IonicContact OD2-NH2 3.62Å; D228-R321 PolarHBondContact OD2-NH2 3.1Å; S317-R321 PolarHBondContact O-N 2.98Å; R318-R321 PolarHBondContact O-N 3.09Å; R321-K324 WeakPolarHBondContact O-CB 3.23Å; R321-K324 PolarHBondContact O-N 2.9Å; R321-Q325 WeakPolarHBondContact O-CG 3.46Å; R321-Q325 PolarHBondContact O-N 3.49Å
322E97.9Very high97.6Very high39 Ų3944.9 Ų44.918%0.18224%0.237CC..Hα-helixtrans-67.2-40.6-175.1-73.9-165.9174.500112.6F268 S281 R318 K324 Q325 L326F268-E322 WeakPolarHBondContact CD1-OE2 3.36Å; S281-E322 WeakPolarHBondContact CB-OE2 3.39Å; S281-E322 PolarHBondContact OG-OE2 3.19Å; R318-E322 IonicContact CZ-OE1 3.61Å; R318-E322 IonicContact NE-OE1 3.91Å; R318-E322 PolarHBondContact NE-OE1 3.28Å; R318-E322 IonicContact NH2-OE1 3.02Å; R318-E322 PolarHBondContact NH2-OE1 3.01Å; R318-E322 PolarHBondContact O-N 3.42Å; E322-K324 VanDerWaalsContact C-N 3.32Å; E322-K324 PolarHBondContact O-N 3.42Å; E322-Q325 PolarHBondContact O-N 2.95Å; E322-L326 WeakPolarHBondContact O-CB 3.34Å; E322-L326 VanDerWaalsContact O-CG 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.38Å; E322-L326 PolarHBondContact O-N 3.04Å
323I98Very high97.5Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-63.7-41.2175.9-66.1168.9000110.8L284 Y300 I303 L319 L326 Y327 M344 I346L284-I323 HydrophobicContact CD2-CD1 3.38Å; L284-I323 HydrophobicContact CD2-CG1 4.44Å; L284-I323 HydrophobicContact CG-CD1 4.05Å; Y300-I323 HydrophobicContact CD1-CG2 4.28Å; Y300-I323 HydrophobicContact CE1-CG2 3.8Å; I303-I323 HydrophobicContact CD1-CD1 3.89Å; L319-I323 HydrophobicContact CD1-CD1 4.07Å; L319-I323 HydrophobicContact CD1-CG1 4.42Å; L319-I323 HydrophobicContact CG-CD1 3.89Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 VanDerWaalsContact O-CG1 3.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.12Å; L319-I323 PolarHBondContact O-N 2.91Å; I323-L326 PolarHBondContact O-N 2.79Å; I323-Y327 VanDerWaalsContact O-CB 3.32Å; I323-Y327 WeakPolarHBondContact O-CB 3.2Å; I323-Y327 PolarHBondContact O-N 3.27Å; I323-M344 HydrophobicContact CB-CE 3.82Å; I323-M344 HydrophobicContact CB-SD 4.29Å; I323-M344 HydrophobicContact CD1-CE 3.93Å; I323-M344 HydrophobicContact CG2-CE 3.66Å; I323-M344 HydrophobicContact CG2-SD 3.9Å; I323-I346 HydrophobicContact CD1-CD1 4.33Å
324K97.3Very high97.4Very high66 Ų6650 Ų5029%0.28726%0.263SS..Hα-helixtrans-60.1-44.6174.7-82.6178.5176.9174.30111.9E320 R321 E322 Y327 L328 F339 F342 M344E320-K324 HydrophobicContact CG-CD 4.26Å; E320-K324 VanDerWaalsContact O-CB 3.32Å; E320-K324 WeakPolarHBondContact O-CB 3.43Å; E320-K324 VanDerWaalsContact O-CG 3.3Å; E320-K324 WeakPolarHBondContact O-CG 3.44Å; E320-K324 PolarHBondContact O-N 2.76Å; E320-K324 WeakPolarHBondContact OE1-CE 3.33Å; E320-K324 IonicContact OE1-NZ 2.88Å; E320-K324 PolarHBondContact OE1-NZ 3.34Å; R321-K324 WeakPolarHBondContact O-CB 3.23Å; R321-K324 PolarHBondContact O-N 2.9Å; E322-K324 VanDerWaalsContact C-N 3.32Å; E322-K324 PolarHBondContact O-N 3.42Å; K324-Y327 PolarHBondContact O-N 2.84Å; K324-L328 WeakPolarHBondContact O-CB 3.45Å; K324-L328 PolarHBondContact O-N 3.2Å; K324-F339 HydrophobicContact CB-CE2 4.06Å; K324-F339 HydrophobicContact CB-CZ 3.74Å; K324-F339 HydrophobicContact CD-CZ 4.05Å; K324-F339 HydrophobicContact CG-CE2 4.16Å; K324-F339 HydrophobicContact CG-CZ 3.79Å; K324-F342 HydrophobicContact CG-CE1 4.38Å; K324-M344 HydrophobicContact CD-SD 4.32Å; K324-M344 HydrophobicContact CG-SD 3.57Å; K324-M344 VanDerWaalsContact CG-SD 3.57Å
325Q97Very high97.3Very high94 Ų9451 Ų5144%0.43926%0.261SS..Hα-helixtrans-62.3-48.9176.7-74175.1-27.600111.5R321 E322 Y327 L328 Q329R321-Q325 WeakPolarHBondContact O-CG 3.46Å; R321-Q325 PolarHBondContact O-N 3.49Å; E322-Q325 PolarHBondContact O-N 2.95Å; Q325-Y327 VanDerWaalsContact C-N 3.33Å; Q325-Y327 PolarHBondContact O-N 2.58Å; Q325-L328 PolarHBondContact O-N 3.42Å; Q325-Q329 VanDerWaalsContact O-CB 3.32Å; Q325-Q329 WeakPolarHBondContact O-CB 3.43Å; Q325-Q329 PolarHBondContact O-N 3.22Å
326L97.7Very high97.1Very high26 Ų2655.5 Ų55.514%0.13629%0.289CS..Hα-helixtrans-59.8-41.9176.6-71.2170.1000111.8E282 F285 E322 I323 N330E282-L326 HydrophobicContact CB-CD1 4.13Å; F285-L326 HydrophobicContact CB-CB 4.42Å; F285-L326 HydrophobicContact CB-CD1 3.69Å; F285-L326 HydrophobicContact CD1-CB 4.17Å; F285-L326 HydrophobicContact CD1-CD1 4.33Å; F285-L326 HydrophobicContact CD2-CB 3.74Å; F285-L326 HydrophobicContact CE1-CB 4.41Å; F285-L326 HydrophobicContact CE2-CB 4.02Å; F285-L326 HydrophobicContact CG-CB 3.84Å; F285-L326 HydrophobicContact CG-CD1 3.95Å; F285-L326 HydrophobicContact CG-CG 4.49Å; F285-L326 HydrophobicContact CZ-CB 4.34Å; E322-L326 WeakPolarHBondContact O-CB 3.34Å; E322-L326 VanDerWaalsContact O-CG 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.38Å; E322-L326 PolarHBondContact O-N 3.04Å; I323-L326 PolarHBondContact O-N 2.79Å; L326-N330 WeakPolarHBondContact O-CA 3.22Å; L326-N330 WeakPolarHBondContact O-CB 3.21Å; L326-N330 PolarHBondContact O-N 3.38Å
327Y97.6Very high96.9Very high45 Ų4561.9 Ų61.918%0.17632%0.316CS..Iπ-helixtrans-65.6-46.6178.2-167.1-90.4000112F285 Y300 I323 K324 Q325 Q329 V331 L332 F339 F342F285-Y327 HydrophobicContact CE2-CD2 4.27Å; Y300-Y327 HydrophobicContact CE2-CD2 4.15Å; Y300-Y327 HydrophobicContact CE2-CE2 4Å; I323-Y327 VanDerWaalsContact O-CB 3.32Å; I323-Y327 WeakPolarHBondContact O-CB 3.2Å; I323-Y327 PolarHBondContact O-N 3.27Å; K324-Y327 PolarHBondContact O-N 2.84Å; Q325-Y327 VanDerWaalsContact C-N 3.33Å; Q325-Y327 PolarHBondContact O-N 2.58Å; Y327-Q329 PolarHBondContact O-N 3Å; Y327-V331 HydrophobicContact CD1-CB 4.45Å; Y327-V331 HydrophobicContact CD2-CB 4.08Å; Y327-V331 HydrophobicContact CD2-CG1 4.47Å; Y327-V331 HydrophobicContact CD2-CG2 3.74Å; Y327-V331 HydrophobicContact CE1-CB 4.43Å; Y327-V331 HydrophobicContact CE1-CG1 4.39Å; Y327-V331 HydrophobicContact CE2-CB 4.05Å; Y327-V331 HydrophobicContact CE2-CG1 3.93Å; Y327-V331 HydrophobicContact CE2-CG2 3.94Å; Y327-V331 HydrophobicContact CG-CB 4.28Å; Y327-V331 HydrophobicContact CG-CG2 4.24Å; Y327-V331 WeakPolarHBondContact O-CA 3.41Å; Y327-V331 VanDerWaalsContact O-CB 3.3Å; Y327-V331 WeakPolarHBondContact O-CB 3.37Å; Y327-V331 PolarHBondContact O-N 3.5Å; Y327-L332 HydrophobicContact CD1-CD1 3.81Å; Y327-L332 HydrophobicContact CD1-CG 3.81Å; Y327-L332 HydrophobicContact CE1-CD1 3.66Å; Y327-L332 HydrophobicContact CE1-CD2 3.84Å; Y327-L332 HydrophobicContact CE1-CG 3.55Å; Y327-L332 PolarHBondContact O-N 2.8Å; Y327-F339 HydrophobicContact CD1-CD2 4.49Å; Y327-F342 HydrophobicContact CD1-CB 4.32Å; Y327-F342 AromaticContact CD1-CD1 3.92Å; Y327-F342 HydrophobicContact CD1-CD1 3.92Å; Y327-F342 AromaticContact CD1-CD2 3.91Å; Y327-F342 HydrophobicContact CD1-CD2 3.91Å; Y327-F342 HydrophobicContact CD1-CE1 4.16Å; Y327-F342 HydrophobicContact CD1-CE2 4.18Å; Y327-F342 AromaticContact CD1-CG 3.78Å; Y327-F342 HydrophobicContact CD1-CG 3.78Å; Y327-F342 HydrophobicContact CD1-CZ 4.29Å; Y327-F342 HydrophobicContact CD2-CD2 4.23Å; Y327-F342 HydrophobicContact CD2-CE1 4.37Å; Y327-F342 AromaticContact CD2-CE2 3.72Å; Y327-F342 HydrophobicContact CD2-CE2 3.72Å; Y327-F342 AromaticContact CD2-CZ 3.8Å; Y327-F342 HydrophobicContact CD2-CZ 3.8Å; Y327-F342 HydrophobicContact CE1-CB 4.05Å; Y327-F342 HydrophobicContact CE1-CD1 4.34Å; Y327-F342 AromaticContact CE1-CD2 3.57Å; Y327-F342 HydrophobicContact CE1-CD2 3.57Å; Y327-F342 HydrophobicContact CE1-CE2 4.08Å; Y327-F342 AromaticContact CE1-CG 3.73Å; Y327-F342 HydrophobicContact CE1-CG 3.73Å; Y327-F342 AromaticContact CE2-CD2 3.93Å; Y327-F342 HydrophobicContact CE2-CD2 3.93Å; Y327-F342 AromaticContact CE2-CE2 3.63Å; Y327-F342 HydrophobicContact CE2-CE2 3.63Å; Y327-F342 HydrophobicContact CE2-CZ 4.21Å; Y327-F342 HydrophobicContact CG-CD1 4.19Å; Y327-F342 HydrophobicContact CG-CD2 4.23Å; Y327-F342 AromaticContact CG-CE1 3.95Å; Y327-F342 HydrophobicContact CG-CE1 3.95Å; Y327-F342 HydrophobicContact CG-CE2 4.01Å; Y327-F342 HydrophobicContact CG-CG 4.32Å; Y327-F342 AromaticContact CG-CZ 3.86Å; Y327-F342 HydrophobicContact CG-CZ 3.86Å; Y327-F342 AromaticContact CZ-CD2 3.59Å; Y327-F342 AromaticContact CZ-CE2 3.83Å
328L97.6Very high96.7Very high46 Ų4666.7 Ų66.724%0.24133%0.325CS..Iπ-helixtrans-60.7-45.9177.6179.560.6000111.6K324 Q325 L332 K333 G334 F339K324-L328 WeakPolarHBondContact O-CB 3.45Å; K324-L328 PolarHBondContact O-N 3.2Å; Q325-L328 PolarHBondContact O-N 3.42Å; L328-L332 HydrophobicContact CD1-CB 4.39Å; L328-L332 CarbonylContact O-C 3.58Å; L328-K333 PolarHBondContact O-N 3.45Å; L328-G334 PolarHBondContact O-N 2.89Å; L328-F339 HydrophobicContact CB-CD2 4.07Å; L328-F339 HydrophobicContact CB-CE2 4.25Å; L328-F339 HydrophobicContact CD1-CB 3.99Å; L328-F339 HydrophobicContact CD1-CD2 4.28Å; L328-F339 HydrophobicContact CD1-CG 4.16Å
329Q97Very high96.5Very high130 Ų13068.9 Ų68.961%0.60734%0.335SS*.Iπ-helixtrans-72.3-49.8-178.1-174.5-178.82.300112.3Q325 Y327 K333Q325-Q329 VanDerWaalsContact O-CB 3.32Å; Q325-Q329 WeakPolarHBondContact O-CB 3.43Å; Q325-Q329 PolarHBondContact O-N 3.22Å; Y327-Q329 PolarHBondContact O-N 3Å; Q329-K333 WeakPolarHBondContact O-CD 3.33Å
330N96.4Very high96.3Very high65 Ų6573 Ų7335%0.34837%0.369SS..Iπ-helixtrans-93.6-32.2-166-62.7-21.1000113.3F285 L326 K333F285-N330 HydrophobicContact CE1-CB 4.2Å; F285-N330 HydrophobicContact CZ-CB 3.97Å; L326-N330 WeakPolarHBondContact O-CA 3.22Å; L326-N330 WeakPolarHBondContact O-CB 3.21Å; L326-N330 PolarHBondContact O-N 3.38Å; N330-K333 WeakPolarHBondContact O-CE 3.36Å; N330-K333 PolarHBondContact O-NZ 2.87Å
331V95.8Very high96.1Very high54 Ų5477.8 Ų77.833%0.32739%0.389SS..Iπ-helixtrans-97.5-51.6-178.9-173.70000111.1F285 Y327F285-V331 HydrophobicContact CE2-CG2 3.96Å; F285-V331 HydrophobicContact CZ-CG2 3.73Å; Y327-V331 HydrophobicContact CD1-CB 4.45Å; Y327-V331 HydrophobicContact CD2-CB 4.08Å; Y327-V331 HydrophobicContact CD2-CG1 4.47Å; Y327-V331 HydrophobicContact CD2-CG2 3.74Å; Y327-V331 HydrophobicContact CE1-CB 4.43Å; Y327-V331 HydrophobicContact CE1-CG1 4.39Å; Y327-V331 HydrophobicContact CE2-CB 4.05Å; Y327-V331 HydrophobicContact CE2-CG1 3.93Å; Y327-V331 HydrophobicContact CE2-CG2 3.94Å; Y327-V331 HydrophobicContact CG-CB 4.28Å; Y327-V331 HydrophobicContact CG-CG2 4.24Å; Y327-V331 WeakPolarHBondContact O-CA 3.41Å; Y327-V331 VanDerWaalsContact O-CB 3.3Å; Y327-V331 WeakPolarHBondContact O-CB 3.37Å; Y327-V331 PolarHBondContact O-N 3.5Å
332L96.3Very high95.9Very high25 Ų2576.7 Ų76.713%0.13139%0.386CS..SBendtrans-88.7-8.4-174.9-60.6-176000114.1Y327 L328 G334 D335 R338 F339Y327-L332 HydrophobicContact CD1-CD1 3.81Å; Y327-L332 HydrophobicContact CD1-CG 3.81Å; Y327-L332 HydrophobicContact CE1-CD1 3.66Å; Y327-L332 HydrophobicContact CE1-CD2 3.84Å; Y327-L332 HydrophobicContact CE1-CG 3.55Å; Y327-L332 PolarHBondContact O-N 2.8Å; L328-L332 HydrophobicContact CD1-CB 4.39Å; L328-L332 CarbonylContact O-C 3.58Å; L332-G334 PolarHBondContact O-N 3.44Å; L332-D335 HydrophobicContact CB-CB 4.3Å; L332-D335 VanDerWaalsContact O-CB 3.29Å; L332-D335 WeakPolarHBondContact O-CB 3.08Å; L332-D335 PolarHBondContact O-N 2.98Å; L332-R338 HydrophobicContact CD1-CB 4.09Å; L332-R338 HydrophobicContact CD2-CB 3.89Å; L332-F339 VanDerWaalsContact CD1-CA 3.43Å; L332-F339 HydrophobicContact CD1-CB 3.63Å; L332-F339 HydrophobicContact CD1-CD2 4Å; L332-F339 HydrophobicContact CD1-CG 4.33Å
333K96.3Very high95.8Very high161 Ų16183 Ų8370%0.741%0.413SS*.THydrogen-bonded Turntrans51.637.9-179.5-52.7-52.9-168.7-167.70113L328 Q329 N330L328-K333 PolarHBondContact O-N 3.45Å; Q329-K333 WeakPolarHBondContact O-CD 3.33Å; N330-K333 WeakPolarHBondContact O-CE 3.36Å; N330-K333 PolarHBondContact O-NZ 2.87Å
334G95.3Very high95.7Very high44 Ų4484.2 Ų84.245%0.45442%0.419SS..THydrogen-bonded Turntrans88.41.1179.600000115.9L328 L332 T336L328-G334 PolarHBondContact O-N 2.89Å; L332-G334 PolarHBondContact O-N 3.44Å; G334-T336 PolarHBondContact O-N 3.37Å
335D95.8Very high95.7Very high51 Ų5183.9 Ų83.927%0.27342%0.424SS..  trans-68.7100.1176.6-176-24.7000111.3L332 E337 R338 F339L332-D335 HydrophobicContact CB-CB 4.3Å; L332-D335 VanDerWaalsContact O-CB 3.29Å; L332-D335 WeakPolarHBondContact O-CB 3.08Å; L332-D335 PolarHBondContact O-N 2.98Å; D335-E337 PolarHBondContact OD1-N 3.21Å; D335-E337 VanDerWaalsContact OD1-N 3.07Å; D335-R338 HydrophobicContact CB-CB 4.42Å; D335-R338 PolarHBondContact OD1-N 3.16Å; D335-R338 WeakPolarHBondContact OD2-CD 3.37Å; D335-R338 WeakPolarHBondContact OD2-CG 3.38Å; D335-R338 IonicContact OD2-CZ 3.61Å; D335-R338 IonicContact OD2-NE 3.93Å; D335-R338 PolarHBondContact OD2-NE 2.98Å; D335-F339 WeakPolarHBondContact O-CB 3.43Å; D335-F339 PolarHBondContact O-N 2.98Å
336T94.6Very high95.7Very high96 Ų9680.5 Ų80.559%0.58941%0.409SS*.Hα-helixtrans-75.1-24.3-178.453.20000113.3G334 F339 A340G334-T336 PolarHBondContact O-N 3.37Å; T336-F339 WeakPolarHBondContact O-CB 3.16Å; T336-F339 PolarHBondContact O-N 3.09Å; T336-A340 PolarHBondContact O-N 3.02Å
337E94.9Very high95.7Very high161 Ų16181 Ų8175%0.75241%0.41SS*.Hα-helixtrans-71.8-43.2178.3-64.7-173.1175.200111.1D335 F339 A340D335-E337 PolarHBondContact OD1-N 3.21Å; D335-E337 VanDerWaalsContact OD1-N 3.07Å; E337-F339 VanDerWaalsContact C-N 3.27Å; E337-A340 PolarHBondContact O-N 3.08Å
338R92.8Very high95.7Very high162 Ų16280.5 Ų80.561%0.61142%0.415SS*.Hα-helixtrans-67-33171.5-70.1-178.4-165.6-156.1-3.5111.6L332 D335 A340 K341L332-R338 HydrophobicContact CD1-CB 4.09Å; L332-R338 HydrophobicContact CD2-CB 3.89Å; D335-R338 HydrophobicContact CB-CB 4.42Å; D335-R338 PolarHBondContact OD1-N 3.16Å; D335-R338 WeakPolarHBondContact OD2-CD 3.37Å; D335-R338 WeakPolarHBondContact OD2-CG 3.38Å; D335-R338 IonicContact OD2-CZ 3.61Å; D335-R338 IonicContact OD2-NE 3.93Å; D335-R338 PolarHBondContact OD2-NE 2.98Å; R338-A340 VanDerWaalsContact C-N 3.27Å; R338-A340 PolarHBondContact O-N 2.96Å; R338-K341 WeakPolarHBondContact O-CB 3.39Å; R338-K341 PolarHBondContact O-N 3.47Å
339F95.1Very high95.6Very high56 Ų5679 Ų7925%0.24641%0.409CS..Hα-helixtrans-62.3-35.4178.7-175.1-106.5000112.4K324 Y327 L328 L332 D335 T336 E337 K341 F342K324-F339 HydrophobicContact CB-CE2 4.06Å; K324-F339 HydrophobicContact CB-CZ 3.74Å; K324-F339 HydrophobicContact CD-CZ 4.05Å; K324-F339 HydrophobicContact CG-CE2 4.16Å; K324-F339 HydrophobicContact CG-CZ 3.79Å; Y327-F339 HydrophobicContact CD1-CD2 4.49Å; L328-F339 HydrophobicContact CB-CD2 4.07Å; L328-F339 HydrophobicContact CB-CE2 4.25Å; L328-F339 HydrophobicContact CD1-CB 3.99Å; L328-F339 HydrophobicContact CD1-CD2 4.28Å; L328-F339 HydrophobicContact CD1-CG 4.16Å; L332-F339 VanDerWaalsContact CD1-CA 3.43Å; L332-F339 HydrophobicContact CD1-CB 3.63Å; L332-F339 HydrophobicContact CD1-CD2 4Å; L332-F339 HydrophobicContact CD1-CG 4.33Å; D335-F339 WeakPolarHBondContact O-CB 3.43Å; D335-F339 PolarHBondContact O-N 2.98Å; T336-F339 WeakPolarHBondContact O-CB 3.16Å; T336-F339 PolarHBondContact O-N 3.09Å; E337-F339 VanDerWaalsContact C-N 3.27Å; F339-K341 PolarHBondContact O-N 2.98Å; F339-K341 VanDerWaalsContact O-N 3.07Å; F339-F342 HydrophobicContact CD2-CB 4.41Å; F339-F342 HydrophobicContact CD2-CD1 4.4Å; F339-F342 AromaticContact CE2-CD1 3.98Å; F339-F342 HydrophobicContact CE2-CD1 3.98Å; F339-F342 VanDerWaalsContact O-CB 3.31Å; F339-F342 WeakPolarHBondContact O-CB 3.41Å; F339-F342 PolarHBondContact O-N 3.16Å
340A93.3Very high95.4Very high88 Ų8878.2 Ų78.273%0.72741%0.414SS*.THydrogen-bonded Turntrans-59.4-21.1173.900000113.6T336 E337 R338T336-A340 PolarHBondContact O-N 3.02Å; E337-A340 PolarHBondContact O-N 3.08Å; R338-A340 VanDerWaalsContact C-N 3.27Å; R338-A340 PolarHBondContact O-N 2.96Å
341K93Very high95.3Very high171 Ų17178.8 Ų78.874%0.74342%0.415SS*.THydrogen-bonded Turntrans-92.1-9.6176.9-57.3177.6-176173.20113.1R338 F339 K343R338-K341 WeakPolarHBondContact O-CB 3.39Å; R338-K341 PolarHBondContact O-N 3.47Å; F339-K341 PolarHBondContact O-N 2.98Å; F339-K341 VanDerWaalsContact O-N 3.07Å; K341-K343 PolarHBondContact O-N 3.25Å
342F94.7Very high95.3Very high31 Ų3177.5 Ų77.514%0.13640%0.404CS..  trans-71.2116.5-179.2177.3-126.2000110.5Y300 K324 Y327 F339 M344Y300-F342 HydrophobicContact CD1-CE2 4.15Å; Y300-F342 AromaticContact CD1-CZ 3.79Å; Y300-F342 HydrophobicContact CD1-CZ 3.79Å; Y300-F342 AromaticContact CD2-CE2 3.89Å; Y300-F342 HydrophobicContact CD2-CE2 3.89Å; Y300-F342 HydrophobicContact CD2-CZ 4.33Å; Y300-F342 HydrophobicContact CE1-CZ 4.07Å; Y300-F342 HydrophobicContact CE2-CE2 4.28Å; Y300-F342 AromaticContact CG-CE2 3.83Å; Y300-F342 HydrophobicContact CG-CE2 3.83Å; Y300-F342 AromaticContact CG-CZ 3.95Å; Y300-F342 HydrophobicContact CG-CZ 3.95Å; K324-F342 HydrophobicContact CG-CE1 4.38Å; Y327-F342 HydrophobicContact CD1-CB 4.32Å; Y327-F342 AromaticContact CD1-CD1 3.92Å; Y327-F342 HydrophobicContact CD1-CD1 3.92Å; Y327-F342 AromaticContact CD1-CD2 3.91Å; Y327-F342 HydrophobicContact CD1-CD2 3.91Å; Y327-F342 HydrophobicContact CD1-CE1 4.16Å; Y327-F342 HydrophobicContact CD1-CE2 4.18Å; Y327-F342 AromaticContact CD1-CG 3.78Å; Y327-F342 HydrophobicContact CD1-CG 3.78Å; Y327-F342 HydrophobicContact CD1-CZ 4.29Å; Y327-F342 HydrophobicContact CD2-CD2 4.23Å; Y327-F342 HydrophobicContact CD2-CE1 4.37Å; Y327-F342 AromaticContact CD2-CE2 3.72Å; Y327-F342 HydrophobicContact CD2-CE2 3.72Å; Y327-F342 AromaticContact CD2-CZ 3.8Å; Y327-F342 HydrophobicContact CD2-CZ 3.8Å; Y327-F342 HydrophobicContact CE1-CB 4.05Å; Y327-F342 HydrophobicContact CE1-CD1 4.34Å; Y327-F342 AromaticContact CE1-CD2 3.57Å; Y327-F342 HydrophobicContact CE1-CD2 3.57Å; Y327-F342 HydrophobicContact CE1-CE2 4.08Å; Y327-F342 AromaticContact CE1-CG 3.73Å; Y327-F342 HydrophobicContact CE1-CG 3.73Å; Y327-F342 AromaticContact CE2-CD2 3.93Å; Y327-F342 HydrophobicContact CE2-CD2 3.93Å; Y327-F342 AromaticContact CE2-CE2 3.63Å; Y327-F342 HydrophobicContact CE2-CE2 3.63Å; Y327-F342 HydrophobicContact CE2-CZ 4.21Å; Y327-F342 HydrophobicContact CG-CD1 4.19Å; Y327-F342 HydrophobicContact CG-CD2 4.23Å; Y327-F342 AromaticContact CG-CE1 3.95Å; Y327-F342 HydrophobicContact CG-CE1 3.95Å; Y327-F342 HydrophobicContact CG-CE2 4.01Å; Y327-F342 HydrophobicContact CG-CG 4.32Å; Y327-F342 AromaticContact CG-CZ 3.86Å; Y327-F342 HydrophobicContact CG-CZ 3.86Å; Y327-F342 AromaticContact CZ-CD2 3.59Å; Y327-F342 AromaticContact CZ-CE2 3.83Å; F339-F342 HydrophobicContact CD2-CB 4.41Å; F339-F342 HydrophobicContact CD2-CD1 4.4Å; F339-F342 AromaticContact CE2-CD1 3.98Å; F339-F342 HydrophobicContact CE2-CD1 3.98Å; F339-F342 VanDerWaalsContact O-CB 3.31Å; F339-F342 WeakPolarHBondContact O-CB 3.41Å; F339-F342 PolarHBondContact O-N 3.16Å; F342-M344 HydrophobicContact CD1-CG 4.47Å; F342-M344 HydrophobicContact CD1-SD 4.46Å; F342-M344 HydrophobicContact CE1-CB 4.06Å; F342-M344 HydrophobicContact CE1-CG 3.84Å; F342-M344 HydrophobicContact CE1-SD 3.51Å; F342-M344 VanDerWaalsContact CE1-SD 3.51Å; F342-M344 HydrophobicContact CZ-CB 3.89Å; F342-M344 HydrophobicContact CZ-CG 4.19Å; F342-M344 HydrophobicContact CZ-SD 4.01Å
343K95.1Very high95.2Very high171 Ų17180.4 Ų80.474%0.74342%0.416SS*.  trans-103.5122.7177-64.4-174.6-179.5-178.10109.4K341K341-K343 PolarHBondContact O-N 3.25Å
344M96Very high95.1Very high26 Ų2674 Ų7413%0.12839%0.389CS..  trans-140.1153.4168.865.8174.2-66.300110Y300 I303 E320 I323 K324 F342 I346Y300-M344 CarbonylContact O-C 3.5Å; Y300-M344 WeakPolarHBondContact O-CA 3.46Å; Y300-M344 WeakPolarHBondContact O-CB 3.36Å; I303-M344 HydrophobicContact CD1-CE 4.03Å; E320-M344 HydrophobicContact CG-CE 4.17Å; E320-M344 HydrophobicContact CG-SD 4.37Å; I323-M344 HydrophobicContact CB-CE 3.82Å; I323-M344 HydrophobicContact CB-SD 4.29Å; I323-M344 HydrophobicContact CD1-CE 3.93Å; I323-M344 HydrophobicContact CG2-CE 3.66Å; I323-M344 HydrophobicContact CG2-SD 3.9Å; K324-M344 HydrophobicContact CD-SD 4.32Å; K324-M344 HydrophobicContact CG-SD 3.57Å; K324-M344 VanDerWaalsContact CG-SD 3.57Å; F342-M344 HydrophobicContact CD1-CG 4.47Å; F342-M344 HydrophobicContact CD1-SD 4.46Å; F342-M344 HydrophobicContact CE1-CB 4.06Å; F342-M344 HydrophobicContact CE1-CG 3.84Å; F342-M344 HydrophobicContact CE1-SD 3.51Å; F342-M344 VanDerWaalsContact CE1-SD 3.51Å; F342-M344 HydrophobicContact CZ-CB 3.89Å; F342-M344 HydrophobicContact CZ-CG 4.19Å; F342-M344 HydrophobicContact CZ-SD 4.01Å; M344-I346 HydrophobicContact CE-CD1 4.04Å; M344-I346 HydrophobicContact CE-CG1 4.07Å
345C97.4Very high95Very high58 Ų5872.1 Ų72.139%0.39237%0.368SS..  trans-138.5132.9173-166.80000109.3Y300 K301 I303Y300-C345 PolarHBondContact O-N 3.43Å; K301-C345 WeakPolarHBondContact O-CB 3.38Å; I303-C345 WeakPolarHBondContact CB-O 3.33Å; I303-C345 PolarHBondContact N-O 3.09Å
346I97.7Very high95Very high23 Ų2370.1 Ų70.112%0.11836%0.357CS..EExtended strand (participates in β ladder)trans-104.6109.2167.8-64.8173.5000107.5I303 L305 P316 L319 E320 I323 M344I303-I346 HydrophobicContact CB-CG1 4.14Å; I303-I346 HydrophobicContact CD1-CG1 4.24Å; I303-I346 HydrophobicContact CG2-CG1 4.19Å; I303-I346 CarbonylContact O-C 3.5Å; I303-I346 WeakPolarHBondContact O-CA 3.23Å; L305-I346 HydrophobicContact CD1-CG2 3.8Å; L305-I346 HydrophobicContact CD2-CG2 4.14Å; L305-I346 HydrophobicContact CG-CG2 3.8Å; P316-I346 HydrophobicContact CB-CG2 4.11Å; L319-I346 HydrophobicContact CB-CD1 3.8Å; L319-I346 HydrophobicContact CD2-CD1 3.94Å; L319-I346 HydrophobicContact CG-CD1 3.71Å; E320-I346 VanDerWaalsContact CA-CD1 3.44Å; E320-I346 HydrophobicContact CB-CD1 3.76Å; E320-I346 HydrophobicContact CG-CD1 4.36Å; I323-I346 HydrophobicContact CD1-CD1 4.33Å; M344-I346 HydrophobicContact CE-CD1 4.04Å; M344-I346 HydrophobicContact CE-CG1 4.07Å
347E97.2Very high95.1Very high37 Ų3765.5 Ų65.517%0.17333%0.329CS..EExtended strand (participates in β ladder)trans-87.9111.9177.9-61.1179.8-153.300108.9L153 H302 I303 V304 L305 P349L153-E347 WeakPolarHBondContact CD1-OE2 3.47Å; H302-E347 IonicContact CE1-OE1 2.64Å; H302-E347 IonicContact CG-OE1 3.85Å; H302-E347 IonicContact ND1-OE1 2.67Å; H302-E347 PolarHBondContact ND1-OE1 3.36Å; I303-E347 PolarHBondContact O-N 3.32Å; V304-E347 HydrophobicContact CG2-CB 4.19Å; L305-E347 PolarHBondContact N-O 2.92Å; E347-P349 VanDerWaalsContact C-CD 3.42Å; E347-P349 WeakPolarHBondContact O-CD 3.38Å
348A96.8Very high95.1Very high34 Ų3458.7 Ų58.728%0.28130%0.298SS..  trans-12071179.400000111.3L305 P316 R352L305-A348 HydrophobicContact CD1-CB 3.9Å; L305-A348 HydrophobicContact CG-CB 4.41Å; P316-A348 HydrophobicContact CB-CB 4.07Å; P316-A348 HydrophobicContact CG-CB 3.58Å; A348-R352 PolarHBondContact O-NH1 3.48Å
349P95.3Very high95.2Very high16 Ų1651 Ų5110%0.10427%0.269CS..  trans-52.9146.8-179.5-2533.2000112.1Q151 E347 Q351 R352 M355Q151-P349 HydrophobicContact CG-CG 4.31Å; E347-P349 VanDerWaalsContact C-CD 3.42Å; E347-P349 WeakPolarHBondContact O-CD 3.38Å; P349-Q351 PolarHBondContact O-N 2.99Å; P349-R352 VanDerWaalsContact O-CB 3.23Å; P349-R352 WeakPolarHBondContact O-CB 3.5Å; P349-R352 WeakPolarHBondContact O-CD 3.31Å; P349-R352 WeakPolarHBondContact O-CG 3.35Å; P349-R352 PolarHBondContact O-N 3.33Å; P349-R352 VanDerWaalsContact O-N 3.1Å; P349-R352 PolarHBondContact O-NH1 2.94Å; P349-M355 HydrophobicContact CG-CE 4.46Å
350P94.7Very high95.2Very high112 Ų11248.3 Ų48.373%0.72726%0.257SS*.THydrogen-bonded Turntrans-61.7-28.5179.623.2-33000112.7R352P350-R352 VanDerWaalsContact C-N 3.34Å
351Q92.8Very high95.3Very high78 Ų7844.1 Ų44.136%0.36422%0.223SC..THydrogen-bonded Turntrans-91.912.4179.9-61.2174.52.100113.4F29 P349 K353 H354 I358F29-Q351 HydrophobicContact CE1-CG 4.05Å; F29-Q351 HydrophobicContact CZ-CG 4.24Å; F29-Q351 VanDerWaalsContact CZ-NE2 3.31Å; P349-Q351 PolarHBondContact O-N 2.99Å; Q351-K353 PolarHBondContact O-N 3.4Å; Q351-H354 PolarHBondContact O-N 3.43Å; Q351-I358 HydrophobicContact CB-CD1 3.91Å
352R95.6Very high95.3Very high26 Ų2638.9 Ų38.910%0.09821%0.205CC..G310 helixtrans-55.4-23.6-17466.9-172.1175.8-77.81.2116.2L305 S306 G307 T310 M311 A348 P349 P350 H354 M355L305-R352 WeakPolarHBondContact O-CB 3.48Å; S306-R352 PolarHBondContact OG-O 2.99Å; G307-R352 PolarHBondContact N-O 2.92Å; T310-R352 PolarHBondContact O-NE 3.21Å; T310-R352 PolarHBondContact O-NH2 2.73Å; T310-R352 WeakPolarHBondContact OG1-CD 3.44Å; M311-R352 HydrophobicContact SD-CG 3.38Å; M311-R352 WeakPolarHBondContact SD-CG 3.37Å; M311-R352 VanDerWaalsContact SD-CZ 3.57Å; A348-R352 PolarHBondContact O-NH1 3.48Å; P349-R352 VanDerWaalsContact O-CB 3.23Å; P349-R352 WeakPolarHBondContact O-CB 3.5Å; P349-R352 WeakPolarHBondContact O-CD 3.31Å; P349-R352 WeakPolarHBondContact O-CG 3.35Å; P349-R352 PolarHBondContact O-N 3.33Å; P349-R352 VanDerWaalsContact O-N 3.1Å; P349-R352 PolarHBondContact O-NH1 2.94Å; P350-R352 VanDerWaalsContact C-N 3.34Å; R352-H354 PolarHBondContact O-N 3.12Å; R352-H354 VanDerWaalsContact O-N 3.15Å; R352-M355 VanDerWaalsContact CA-CG 3.47Å; R352-M355 HydrophobicContact CB-CG 4.26Å; R352-M355 PolarHBondContact O-N 3.07Å
353K94.7Very high95.2Very high87 Ų8738.3 Ų38.338%0.37820%0.203SC..G310 helixtrans-55.4-28.6171.6-172177.9177.7178.30113.4M311 Q351M311-K353 HydrophobicContact CG-CB 4.11Å; M311-K353 HydrophobicContact SD-CB 4.1Å; Q351-K353 PolarHBondContact O-N 3.4Å
354H93.9Very high95.1Very high26 Ų2630.1 Ų30.112%0.1217%0.167CC..G310 helixtrans-124.112.3-173.6-54.6-55.2000113.4P30 I33 Q351 R352 V356 F357 I358P30-H354 HydrophobicContact CG-CB 4.18Å; I33-H354 VanDerWaalsContact CD1-CE1 3.42Å; I33-H354 WeakPolarHBondContact CD1-CE1 3.42Å; Q351-H354 PolarHBondContact O-N 3.43Å; R352-H354 PolarHBondContact O-N 3.12Å; R352-H354 VanDerWaalsContact O-N 3.15Å; H354-V356 VanDerWaalsContact C-N 3.25Å; H354-V356 PolarHBondContact O-N 3.43Å; H354-F357 WeakPolarHBondContact O-CB 3.39Å; H354-F357 PolarHBondContact O-N 3.07Å; H354-I358 HydrophobicContact CB-CD1 4.35Å; H354-I358 WeakPolarHBondContact O-CG1 3.2Å; H354-I358 PolarHBondContact O-N 3.35Å
355M94.1Very high94.9Very high5 Ų531.5 Ų31.53%0.02518%0.175CC..Hα-helixtrans-59.3-34-172.4-88.5-71.8-72.500114T147 A150 Q151 S306 P349 R352 I358 G359T147-M355 HydrophobicContact CG2-CB 4.11Å; T147-M355 WeakPolarHBondContact O-CE 3.39Å; A150-M355 HydrophobicContact CB-CE 3.37Å; A150-M355 HydrophobicContact CB-SD 3.75Å; Q151-M355 HydrophobicContact CG-CE 3.55Å; S306-M355 WeakPolarHBondContact OG-CB 3.14Å; P349-M355 HydrophobicContact CG-CE 4.46Å; R352-M355 VanDerWaalsContact CA-CG 3.47Å; R352-M355 HydrophobicContact CB-CG 4.26Å; R352-M355 PolarHBondContact O-N 3.07Å; M355-I358 PolarHBondContact O-N 2.85Å; M355-G359 PolarHBondContact O-N 2.87Å
356V95.4Very high94.6Very high8 Ų834.8 Ų34.85%0.04819%0.188CC..Hα-helixtrans-57.4-50.4172.61740000111D14 T112 Q143 L146 T147 H354 G359 G360D14-V356 HydrophobicContact CB-CG1 4.29Å; T112-V356 HydrophobicContact CG2-CG1 3.7Å; Q143-V356 HydrophobicContact CB-CG1 4.05Å; Q143-V356 HydrophobicContact CB-CG2 4.01Å; Q143-V356 HydrophobicContact CG-CG1 3.71Å; Q143-V356 HydrophobicContact CG-CG2 4.33Å; L146-V356 HydrophobicContact CD1-CG1 4.32Å; T147-V356 HydrophobicContact CG2-CB 4.36Å; T147-V356 HydrophobicContact CG2-CG2 3.52Å; H354-V356 VanDerWaalsContact C-N 3.25Å; H354-V356 PolarHBondContact O-N 3.43Å; V356-G359 PolarHBondContact O-N 2.84Å; V356-G360 PolarHBondContact O-N 3Å
357F96.6Very high94.3Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-63.9-44.5178.2173.6-87.2000111.4V12 K21 A27 F29 P30 H354 G359 G360 S361V12-F357 HydrophobicContact CB-CD2 4.3Å; V12-F357 HydrophobicContact CB-CE2 3.79Å; V12-F357 HydrophobicContact CB-CZ 4.41Å; V12-F357 HydrophobicContact CG1-CD2 3.8Å; V12-F357 HydrophobicContact CG1-CE2 3.83Å; K21-F357 HydrophobicContact CB-CB 4.45Å; K21-F357 HydrophobicContact CB-CD2 4.42Å; A27-F357 HydrophobicContact CB-CE1 4.41Å; F29-F357 VanDerWaalsContact C-CE1 3.49Å; P30-F357 VanDerWaalsContact CA-CE1 3.41Å; P30-F357 HydrophobicContact CB-CD1 3.99Å; P30-F357 HydrophobicContact CB-CD2 4.16Å; P30-F357 HydrophobicContact CB-CE1 4.04Å; P30-F357 HydrophobicContact CB-CE2 4.21Å; P30-F357 HydrophobicContact CB-CG 4.07Å; P30-F357 HydrophobicContact CB-CZ 4.16Å; P30-F357 HydrophobicContact CG-CB 4.12Å; P30-F357 HydrophobicContact CG-CD1 3.56Å; P30-F357 HydrophobicContact CG-CD2 4.27Å; P30-F357 HydrophobicContact CG-CE1 4.07Å; P30-F357 HydrophobicContact CG-CG 3.69Å; P30-F357 VanDerWaalsContact N-CE1 3.33Å; H354-F357 WeakPolarHBondContact O-CB 3.39Å; H354-F357 PolarHBondContact O-N 3.07Å; F357-G359 VanDerWaalsContact C-N 3.32Å; F357-G359 PolarHBondContact O-N 3.19Å; F357-G360 PolarHBondContact O-N 3.24Å; F357-S361 WeakPolarHBondContact O-CB 3.41Å; F357-S361 PolarHBondContact O-N 3.18Å
358I95Very high94Very high18 Ų1837.1 Ų37.19%0.09220%0.197CC..Hα-helixtrans-60.4-45.1180-64.3168.3000110.1A150 Q351 H354 M355 G360 S361 V362A150-I358 HydrophobicContact CB-CG2 4.28Å; Q351-I358 HydrophobicContact CB-CD1 3.91Å; H354-I358 HydrophobicContact CB-CD1 4.35Å; H354-I358 WeakPolarHBondContact O-CG1 3.2Å; H354-I358 PolarHBondContact O-N 3.35Å; M355-I358 PolarHBondContact O-N 2.85Å; I358-G360 PolarHBondContact O-N 3.13Å; I358-S361 WeakPolarHBondContact O-CB 3.41Å; I358-S361 PolarHBondContact O-N 2.76Å; I358-V362 WeakPolarHBondContact O-CG2 3.39Å; I358-V362 PolarHBondContact O-N 2.91Å
359G94.4Very high93.7Very high0 Ų039.5 Ų39.50%021%0.205CC..Hα-helixtrans-60.9-44.8175.600000112.7L146 M355 V356 F357 S361 V362 L363L146-G359 VanDerWaalsContact O-CA 3.3Å; L146-G359 WeakPolarHBondContact O-CA 3.45Å; M355-G359 PolarHBondContact O-N 2.87Å; V356-G359 PolarHBondContact O-N 2.84Å; F357-G359 VanDerWaalsContact C-N 3.32Å; F357-G359 PolarHBondContact O-N 3.19Å; G359-S361 VanDerWaalsContact C-N 3.33Å; G359-S361 PolarHBondContact O-N 2.94Å; G359-V362 PolarHBondContact O-N 3.42Å; G359-L363 VanDerWaalsContact O-CB 3.23Å; G359-L363 WeakPolarHBondContact O-CB 3.49Å; G359-L363 PolarHBondContact O-N 2.93Å
360G95.3Very high93.2Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-61-40.8173.800000112.8V356 F357 I358 L363 A364V356-G360 PolarHBondContact O-N 3Å; F357-G360 PolarHBondContact O-N 3.24Å; I358-G360 PolarHBondContact O-N 3.13Å; G360-L363 PolarHBondContact O-N 3.46Å; G360-A364 WeakPolarHBondContact O-CB 3.41Å; G360-A364 PolarHBondContact O-N 3.23Å
361S95Very high91.9Very high0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-63.3-45.1177.2177.30000112.9Y24 G26 A27 F357 I358 G359 N365Y24-S361 PolarHBondContact O-OG 2.81Å; G26-S361 PolarHBondContact N-O 2.92Å; G26-S361 VanDerWaalsContact N-O 3.1Å; G26-S361 PolarHBondContact N-OG 2.86Å; A27-S361 PolarHBondContact N-OG 3.48Å; A27-S361 WeakPolarHBondContact O-CB 3.35Å; A27-S361 PolarHBondContact O-OG 3.47Å; F357-S361 WeakPolarHBondContact O-CB 3.41Å; F357-S361 PolarHBondContact O-N 3.18Å; I358-S361 WeakPolarHBondContact O-CB 3.41Å; I358-S361 PolarHBondContact O-N 2.76Å; G359-S361 VanDerWaalsContact C-N 3.33Å; G359-S361 PolarHBondContact O-N 2.94Å; S361-N365 VanDerWaalsContact O-CB 3.32Å; S361-N365 WeakPolarHBondContact O-CB 3.42Å; S361-N365 PolarHBondContact O-N 2.83Å; S361-N365 VanDerWaalsContact O-N 3.14Å
362V93Very high90.6Very high61 Ų6148.1 Ų48.137%0.3722%0.221SC..Hα-helixtrans-65-49.6175.4172.50000110.3I358 G359 A364 N365 I366I358-V362 WeakPolarHBondContact O-CG2 3.39Å; I358-V362 PolarHBondContact O-N 2.91Å; G359-V362 PolarHBondContact O-N 3.42Å; V362-A364 PolarHBondContact O-N 3.01Å; V362-N365 PolarHBondContact O-N 2.87Å; V362-I366 HydrophobicContact CG1-CD1 3.77Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.41Å
363L92.4Very high89.4Confident18 Ų1852 Ų529%0.09425%0.248CC..Hα-helixtrans-60.1-49.1-178.4-170.266.3000111.8L110 F139 L146 Y149 G359 G360 N365 I366 M367L110-L363 HydrophobicContact CD1-CD2 4.37Å; F139-L363 HydrophobicContact CE1-CD2 3.8Å; L146-L363 HydrophobicContact CD2-CB 4.26Å; L146-L363 HydrophobicContact CD2-CD2 3.52Å; Y149-L363 HydrophobicContact CD2-CD1 4.03Å; Y149-L363 HydrophobicContact CD2-CD2 4.39Å; Y149-L363 HydrophobicContact CE2-CD1 4.28Å; G359-L363 VanDerWaalsContact O-CB 3.23Å; G359-L363 WeakPolarHBondContact O-CB 3.49Å; G359-L363 PolarHBondContact O-N 2.93Å; G360-L363 PolarHBondContact O-N 3.46Å; L363-N365 VanDerWaalsContact C-N 3.27Å; L363-N365 PolarHBondContact O-N 3.22Å; L363-I366 PolarHBondContact O-N 3.37Å; L363-M367 HydrophobicContact CD1-CE 3.27Å; L363-M367 HydrophobicContact CD1-CG 4.47Å; L363-M367 HydrophobicContact CD1-SD 3.78Å; L363-M367 HydrophobicContact CD2-CE 4.33Å; L363-M367 HydrophobicContact CD2-SD 4.25Å; L363-M367 HydrophobicContact CG-CE 3.84Å; L363-M367 HydrophobicContact CG-SD 3.66Å; L363-M367 WeakPolarHBondContact O-CB 3.45Å; L363-M367 WeakPolarHBondContact O-CG 3.39Å; L363-M367 PolarHBondContact O-N 2.93Å
364A93.5Very high88.9Confident0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-62.4-33.7178.600000112.4I10 V12 A25 L110 G360 V362 K368 W375I10-A364 HydrophobicContact CG2-CB 3.86Å; V12-A364 HydrophobicContact CG2-CB 3.96Å; A25-A364 HydrophobicContact CB-CB 3.73Å; L110-A364 HydrophobicContact CB-CB 4.33Å; L110-A364 HydrophobicContact CD1-CB 3.96Å; G360-A364 WeakPolarHBondContact O-CB 3.41Å; G360-A364 PolarHBondContact O-N 3.23Å; V362-A364 PolarHBondContact O-N 3.01Å; A364-K368 WeakPolarHBondContact O-CA 3.18Å; A364-K368 PolarHBondContact O-N 3.16Å; A364-K368 VanDerWaalsContact O-N 3.1Å; A364-W375 HydrophobicContact CB-CH2 4.32Å; A364-W375 HydrophobicContact CB-CZ2 4.32Å
365N92.5Very high88.8Confident54 Ų5447.6 Ų47.629%0.28923%0.23SC..Hα-helixtrans-71.6-38.5177-177.747.2000112.2T2 A25 S361 V362 L363 K368T2-N365 VanDerWaalsContact CG2-OD1 3.29Å; T2-N365 WeakPolarHBondContact CG2-OD1 3.38Å; A25-N365 HydrophobicContact CB-CB 4.17Å; S361-N365 VanDerWaalsContact O-CB 3.32Å; S361-N365 WeakPolarHBondContact O-CB 3.42Å; S361-N365 PolarHBondContact O-N 2.83Å; S361-N365 VanDerWaalsContact O-N 3.14Å; V362-N365 PolarHBondContact O-N 2.87Å; L363-N365 VanDerWaalsContact C-N 3.27Å; L363-N365 PolarHBondContact O-N 3.22Å; N365-K368 WeakPolarHBondContact O-CD 3.03Å; N365-K368 VanDerWaalsContact O-CG 3.24Å; N365-K368 WeakPolarHBondContact O-CG 3.03Å
366I90.9Very high88.7Confident128 Ų12847.4 Ų47.466%0.65623%0.229SC*.Hα-helixtrans-66.6-44.3175.2-66.4166.3000110V362 L363 K368V362-I366 HydrophobicContact CG1-CD1 3.77Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.41Å; L363-I366 PolarHBondContact O-N 3.37Å; I366-K368 VanDerWaalsContact C-N 3.31Å; I366-K368 PolarHBondContact O-N 2.93Å
367M91.8Very high88.7Confident42 Ų4248.4 Ų48.421%0.20724%0.235CC..THydrogen-bonded Turntrans-84.43.5-175.3-64.3175.5171.500114.2L363 N369 D370 T374 W375L363-M367 HydrophobicContact CD1-CE 3.27Å; L363-M367 HydrophobicContact CD1-CG 4.47Å; L363-M367 HydrophobicContact CD1-SD 3.78Å; L363-M367 HydrophobicContact CD2-CE 4.33Å; L363-M367 HydrophobicContact CD2-SD 4.25Å; L363-M367 HydrophobicContact CG-CE 3.84Å; L363-M367 HydrophobicContact CG-SD 3.66Å; L363-M367 WeakPolarHBondContact O-CB 3.45Å; L363-M367 WeakPolarHBondContact O-CG 3.39Å; L363-M367 PolarHBondContact O-N 2.93Å; M367-N369 PolarHBondContact O-N 2.71Å; M367-D370 PolarHBondContact O-N 2.89Å; M367-T374 HydrophobicContact CE-CG2 3.82Å; M367-T374 HydrophobicContact CG-CG2 4.44Å; M367-T374 HydrophobicContact SD-CG2 3.76Å; M367-W375 PolarHBondContact O-NE1 3.26Å
368K91Very high88.5Confident66 Ų6652.6 Ų52.629%0.28725%0.251SS..THydrogen-bonded Turntrans-50.9-38.2-168.861.3-176.6179.1-177.20115.4T2 D4 I10 K108 A364 N365 I366T2-K368 HydrophobicContact CG2-CD 3.93Å; D4-K368 WeakPolarHBondContact CB-O 3.46Å; I10-K368 HydrophobicContact CD1-CB 3.2Å; K108-K368 PolarHBondContact NZ-O 3.18Å; A364-K368 WeakPolarHBondContact O-CA 3.18Å; A364-K368 PolarHBondContact O-N 3.16Å; A364-K368 VanDerWaalsContact O-N 3.1Å; N365-K368 WeakPolarHBondContact O-CD 3.03Å; N365-K368 VanDerWaalsContact O-CG 3.24Å; N365-K368 WeakPolarHBondContact O-CG 3.03Å; I366-K368 VanDerWaalsContact C-N 3.31Å; I366-K368 PolarHBondContact O-N 2.93Å
369N90.6Very high88.4Confident84 Ų8455 Ų5545%0.44927%0.273SS..THydrogen-bonded Turntrans-1041.8-176.3-66-25.7000113.4A5 M367 R371A5-N369 PolarHBondContact N-OD1 3Å; M367-N369 PolarHBondContact O-N 2.71Å; N369-R371 PolarHBondContact O-N 3.13Å
370D83.4Confident88.4Confident43 Ų4356.8 Ų56.823%0.2328%0.282CS..  trans-76.9105.4174.6176.113000109.5M367 R372 T373 T374M367-D370 PolarHBondContact O-N 2.89Å; D370-R372 PolarHBondContact OD1-N 2.95Å; D370-T373 PolarHBondContact OD1-N 3.03Å; D370-T373 PolarHBondContact OD2-OG1 3.39Å; D370-T374 WeakPolarHBondContact OD2-CB 3.49Å; D370-T374 WeakPolarHBondContact OD2-CG2 3.46Å; D370-T374 PolarHBondContact OD2-N 2.96Å; D370-T374 PolarHBondContact OD2-OG1 3.14Å
371R68.7Low88.4Confident128 Ų12857.7 Ų57.748%0.48329%0.285SS..THydrogen-bonded Turntrans-91.2-12.4-178.9-65.5-173.4-178.3164.46113.9D6 N369D6-R371 IonicContact OD1-CZ 3.17Å; D6-R371 IonicContact OD1-NH2 2.6Å; D6-R371 PolarHBondContact OD1-NH2 2.67Å; D6-R371 IonicContact OD2-CZ 2.68Å; D6-R371 VanDerWaalsContact OD2-CZ 3.23Å; D6-R371 IonicContact OD2-NE 2.66Å; D6-R371 PolarHBondContact OD2-NE 2.93Å; D6-R371 IonicContact OD2-NH2 3.6Å; D6-R371 PolarHBondContact OD2-NH2 3.31Å; N369-R371 PolarHBondContact O-N 3.13Å
372R64.5Low88.4Confident217 Ų21763.6 Ų63.682%0.81931%0.313SS*.THydrogen-bonded Turntrans-119.8-25.9-162-69.8-173.9-179.5177.90.5114.3D370 R391D370-R372 PolarHBondContact OD1-N 2.95Å; R372-R391 PolarHBondContact O-NH2 3.06Å
373T71.1Confident88.5Confident106 Ų10667.8 Ų67.865%0.6533%0.328SS*.THydrogen-bonded Turntrans-107.2-37.9-171.479.10000113.5D370 R391D370-T373 PolarHBondContact OD1-N 3.03Å; D370-T373 PolarHBondContact OD2-OG1 3.39Å; T373-R391 VanDerWaalsContact C-NH2 3.32Å; T373-R391 PolarHBondContact O-NH2 2.83Å
374T83.5Confident88.5Confident19 Ų1971.9 Ų71.912%0.11735%0.345CS..THydrogen-bonded Turntrans-107.4-57-168.948.60000113.9F139 M367 D370F139-T374 WeakPolarHBondContact CD2-O 3.34Å; M367-T374 HydrophobicContact CE-CG2 3.82Å; M367-T374 HydrophobicContact CG-CG2 4.44Å; M367-T374 HydrophobicContact SD-CG2 3.76Å; D370-T374 WeakPolarHBondContact OD2-CB 3.49Å; D370-T374 WeakPolarHBondContact OD2-CG2 3.46Å; D370-T374 PolarHBondContact OD2-N 2.96Å; D370-T374 PolarHBondContact OD2-OG1 3.14Å
375W91.7Very high88.5Confident3 Ų373 Ų731%0.01136%0.357CS..PPolyproline II helixtrans-70.7135.5-175.6-61.884.1000111.9I10 K108 I109 L110 A137 F139 A364 M367 R391I10-W375 HydrophobicContact CG2-CH2 3.83Å; I10-W375 HydrophobicContact CG2-CZ2 4.16Å; K108-W375 HydrophobicContact CB-CE3 4.2Å; K108-W375 HydrophobicContact CB-CH2 4.22Å; K108-W375 HydrophobicContact CB-CZ3 3.86Å; K108-W375 HydrophobicContact CD-CD2 4.35Å; K108-W375 HydrophobicContact CD-CE3 4.44Å; I109-W375 WeakPolarHBondContact O-CZ3 3.18Å; L110-W375 HydrophobicContact CB-CH2 4.22Å; A137-W375 HydrophobicContact CB-CB 4.03Å; A137-W375 HydrophobicContact CB-CE3 4.16Å; F139-W375 HydrophobicContact CB-CD2 4.16Å; F139-W375 HydrophobicContact CB-CE3 3.68Å; F139-W375 HydrophobicContact CB-CH2 4.31Å; F139-W375 HydrophobicContact CB-CZ3 3.76Å; A364-W375 HydrophobicContact CB-CH2 4.32Å; A364-W375 HydrophobicContact CB-CZ2 4.32Å; M367-W375 PolarHBondContact O-NE1 3.26Å; W375-R391 PolarHBondContact O-NH1 2.98Å
376L93.4Very high88.6Confident0 Ų073.3 Ų73.30%036%0.358CS..EExtended strand (participates in β ladder)trans-81.5121.5165.4-54-174.3000107.3F130 A137 L138 V388 L389 R391 L392F130-L376 HydrophobicContact CE2-CB 4.4Å; F130-L376 HydrophobicContact CZ-CB 4.2Å; F130-L376 WeakPolarHBondContact CZ-O 3.42Å; A137-L376 CarbonylContact C-O 3.6Å; A137-L376 WeakPolarHBondContact CA-O 3.36Å; A137-L376 WeakPolarHBondContact CB-O 3.48Å; L138-L376 PolarHBondContact N-O 3.03Å; L138-L376 WeakPolarHBondContact O-CB 3.37Å; L138-L376 PolarHBondContact O-N 2.57Å; L376-V388 HydrophobicContact CB-CG2 4.43Å; L376-V388 HydrophobicContact CD1-CG1 4.16Å; L376-V388 HydrophobicContact CD2-CG2 3.97Å; L376-L389 HydrophobicContact CD1-CD2 4.11Å; L376-R391 HydrophobicContact CD2-CB 4.49Å; L376-L392 HydrophobicContact CD1-CD1 3.79Å; L376-L392 HydrophobicContact CD1-CG 4.37Å; L376-L392 HydrophobicContact CD2-CD1 4.38Å; L376-L392 HydrophobicContact CD2-CD2 4.22Å; L376-L392 HydrophobicContact CD2-CG 4.09Å; L376-L392 HydrophobicContact CG-CD1 4.27Å
377T93.6Very high88.6Confident30 Ų3074.1 Ų74.118%0.18436%0.357CS..EExtended strand (participates in β ladder)trans-93152.7179.864.50000111.3A379 E380 Y381T377-A379 VanDerWaalsContact C-N 3.25Å; T377-A379 PolarHBondContact O-N 2.7Å; T377-E380 PolarHBondContact N-OE2 2.98Å; T377-E380 PolarHBondContact O-N 2.82Å; T377-E380 VanDerWaalsContact OG1-CD 3.29Å; T377-E380 WeakPolarHBondContact OG1-CG 3.48Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE2 2.93Å; T377-Y381 PolarHBondContact O-N 3.22Å
378R93.9Very high88.5Confident88 Ų8872.2 Ų72.233%0.33235%0.348SS..Hα-helixtrans-57.3-40.2174.6-178.2176.4168.31604.4112.3F130 G134 N136 E380 Y381 E382F130-R378 HydrophobicContact CD1-CB 3.83Å; F130-R378 HydrophobicContact CD1-CG 4.12Å; F130-R378 HydrophobicContact CE1-CB 3.89Å; G134-R378 PolarHBondContact O-NH1 3.35Å; N136-R378 WeakPolarHBondContact O-CB 3.01Å; N136-R378 PolarHBondContact O-N 2.96Å; R378-E380 VanDerWaalsContact C-N 3.32Å; R378-E380 PolarHBondContact O-N 2.89Å; R378-Y381 PolarHBondContact O-N 3.33Å; R378-E382 HydrophobicContact CG-CG 4.3Å; R378-E382 IonicContact CZ-OE1 4Å; R378-E382 IonicContact NE-OE1 3.4Å; R378-E382 PolarHBondContact NE-OE1 3.2Å; R378-E382 IonicContact NH2-OE1 2.96Å; R378-E382 PolarHBondContact NH2-OE1 3.14Å; R378-E382 VanDerWaalsContact NH2-OE1 3.13Å; R378-E382 WeakPolarHBondContact O-CG 3.32Å; R378-E382 PolarHBondContact O-N 3.1Å
379A93Very high88.3Confident67 Ų6769.6 Ų69.655%0.55434%0.337SS*.Hα-helixtrans-60.1-41.7177.700000112.1T377 E382 E383T377-A379 VanDerWaalsContact C-N 3.25Å; T377-A379 PolarHBondContact O-N 2.7Å; A379-E382 PolarHBondContact O-N 3.02Å; A379-E383 PolarHBondContact O-N 3.1Å; A379-E383 VanDerWaalsContact O-N 3.07Å
380E93.1Very high87.9Confident39 Ų3971.6 Ų71.618%0.18234%0.344CS..Hα-helixtrans-68.2-37.2175.8-69.9169.4123.700112.6T377 R378 E383 K384 V388 R391T377-E380 PolarHBondContact N-OE2 2.98Å; T377-E380 PolarHBondContact O-N 2.82Å; T377-E380 VanDerWaalsContact OG1-CD 3.29Å; T377-E380 WeakPolarHBondContact OG1-CG 3.48Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE2 2.93Å; R378-E380 VanDerWaalsContact C-N 3.32Å; R378-E380 PolarHBondContact O-N 2.89Å; E380-E383 PolarHBondContact O-N 3.45Å; E380-K384 WeakPolarHBondContact O-CB 3.37Å; E380-K384 PolarHBondContact O-N 2.83Å; E380-V388 HydrophobicContact CB-CG2 3.87Å; E380-R391 IonicContact OE1-CZ 3.23Å; E380-R391 IonicContact OE1-NE 3.44Å; E380-R391 IonicContact OE1-NH1 2.65Å; E380-R391 PolarHBondContact OE1-NH1 3.02Å; E380-R391 IonicContact OE2-NH1 2.9Å; E380-R391 PolarHBondContact OE2-NH1 3.34Å
381Y95Very high87.5Confident18 Ų1872.5 Ų72.57%0.07134%0.344CS..Hα-helixtrans-65.4-42.5174.3179.9-98000111.6V126 F130 E131 T377 R378 E383 K384 G385 L386 V388V126-Y381 HydrophobicContact CG1-CD2 3.72Å; V126-Y381 HydrophobicContact CG1-CE2 3.73Å; F130-Y381 HydrophobicContact CB-CD1 3.51Å; F130-Y381 HydrophobicContact CB-CE1 3.8Å; F130-Y381 HydrophobicContact CB-CG 4Å; F130-Y381 AromaticContact CD2-CD1 3.87Å; F130-Y381 HydrophobicContact CD2-CD1 3.87Å; F130-Y381 AromaticContact CD2-CD2 3.66Å; F130-Y381 HydrophobicContact CD2-CD2 3.66Å; F130-Y381 HydrophobicContact CD2-CE2 4.3Å; F130-Y381 AromaticContact CD2-CG 3.4Å; F130-Y381 HydrophobicContact CD2-CG 3.4Å; F130-Y381 VanDerWaalsContact CD2-CG 3.4Å; F130-Y381 HydrophobicContact CE2-CD2 4.21Å; F130-Y381 HydrophobicContact CE2-CG 4.05Å; F130-Y381 AromaticContact CG-CD1 3.89Å; F130-Y381 HydrophobicContact CG-CD1 3.89Å; F130-Y381 HydrophobicContact CG-CD2 4.49Å; F130-Y381 AromaticContact CG-CG 3.87Å; F130-Y381 HydrophobicContact CG-CG 3.87Å; E131-Y381 HydrophobicContact CG-CE1 3.72Å; E131-Y381 PolarHBondContact OE1-OH 2.89Å; T377-Y381 PolarHBondContact O-N 3.22Å; R378-Y381 PolarHBondContact O-N 3.33Å; Y381-E383 VanDerWaalsContact C-N 3.28Å; Y381-E383 PolarHBondContact O-N 3Å; Y381-K384 PolarHBondContact O-N 3.5Å; Y381-G385 WeakPolarHBondContact O-CA 3.23Å; Y381-G385 PolarHBondContact O-N 3.4Å; Y381-L386 HydrophobicContact CE2-CD2 4.06Å; Y381-L386 HydrophobicContact CE2-CG 4.46Å; Y381-V388 HydrophobicContact CD2-CG1 4.14Å
382E95.4Very high87.5Confident125 Ų12567.6 Ų67.658%0.58433%0.327SS*.Hα-helixtrans-64.5-32.5176.6-72.9173.6171.700112R378 A379R378-E382 HydrophobicContact CG-CG 4.3Å; R378-E382 IonicContact CZ-OE1 4Å; R378-E382 IonicContact NE-OE1 3.4Å; R378-E382 PolarHBondContact NE-OE1 3.2Å; R378-E382 IonicContact NH2-OE1 2.96Å; R378-E382 PolarHBondContact NH2-OE1 3.14Å; R378-E382 VanDerWaalsContact NH2-OE1 3.13Å; R378-E382 WeakPolarHBondContact O-CG 3.32Å; R378-E382 PolarHBondContact O-N 3.1Å; A379-E382 PolarHBondContact O-N 3.02Å
383E94.7Very high87.1Confident149 Ų14960.7 Ų60.770%0.69631%0.306SS*.Hα-helixtrans-76.8-42.9176.6-171.5-167.6153.200113.1A379 E380 Y381A379-E383 PolarHBondContact O-N 3.1Å; A379-E383 VanDerWaalsContact O-N 3.07Å; E380-E383 PolarHBondContact O-N 3.45Å; Y381-E383 VanDerWaalsContact C-N 3.28Å; Y381-E383 PolarHBondContact O-N 3Å
384K93.3Very high85.8Confident104 Ų10465.3 Ų65.345%0.45231%0.313SS..Hα-helixtrans-114.2-9.7-166.8-62177.3-176172.20114.3E380 Y381 K387E380-K384 WeakPolarHBondContact O-CB 3.37Å; E380-K384 PolarHBondContact O-N 2.83Å; Y381-K384 PolarHBondContact O-N 3.5Å; K384-K387 HydrophobicContact CB-CB 4.39Å; K384-K387 WeakPolarHBondContact O-CB 3.34Å; K384-K387 PolarHBondContact O-N 2.69Å
385G94Very high83.8Confident24 Ų2469.9 Ų69.925%0.24733%0.329CS..G310 helixtrans56.3-142.3-167.800000111.8Y381 K387 V388Y381-G385 WeakPolarHBondContact O-CA 3.23Å; Y381-G385 PolarHBondContact O-N 3.4Å; G385-K387 PolarHBondContact O-N 3.27Å; G385-K387 VanDerWaalsContact O-N 3.09Å; G385-V388 WeakPolarHBondContact O-CG1 3.31Å; G385-V388 PolarHBondContact O-N 3.04Å
386L93.2Very high81.1Confident59 Ų5980.5 Ų80.531%0.30938%0.375SS..G310 helixtrans-62.9-16-179.3-67.7171.9000114.6E123 V126 Y381 V388 L389E123-L386 HydrophobicContact CB-CD1 4.04Å; E123-L386 HydrophobicContact CB-CD2 3.9Å; E123-L386 HydrophobicContact CG-CD1 4.22Å; E123-L386 HydrophobicContact CG-CD2 4.21Å; E123-L386 WeakPolarHBondContact O-CD2 3.42Å; V126-L386 HydrophobicContact CB-CD2 4.33Å; V126-L386 HydrophobicContact CG1-CD2 4.35Å; Y381-L386 HydrophobicContact CE2-CD2 4.06Å; Y381-L386 HydrophobicContact CE2-CG 4.46Å; L386-V388 PolarHBondContact O-N 3.19Å; L386-V388 VanDerWaalsContact O-N 3.08Å; L386-L389 WeakPolarHBondContact O-CB 3.18Å; L386-L389 PolarHBondContact O-N 3.39Å
387K91.7Very high80.4Confident146 Ų14684.5 Ų84.564%0.63539%0.394SS*.G310 helixtrans-62-16.5174.6-65.7-175.1176.4-178.60112.9K384 G385 L389 E390K384-K387 HydrophobicContact CB-CB 4.39Å; K384-K387 WeakPolarHBondContact O-CB 3.34Å; K384-K387 PolarHBondContact O-N 2.69Å; G385-K387 PolarHBondContact O-N 3.27Å; G385-K387 VanDerWaalsContact O-N 3.09Å; K387-L389 PolarHBondContact O-N 2.65Å; K387-L389 VanDerWaalsContact O-N 3.14Å; K387-E390 VanDerWaalsContact O-CB 3.29Å; K387-E390 WeakPolarHBondContact O-CB 3.29Å; K387-E390 WeakPolarHBondContact O-CG 3.24Å; K387-E390 PolarHBondContact O-N 3.08Å
388V88.9Confident79.7Confident2 Ų287.4 Ų87.41%0.01241%0.405CS..G310 helixtrans-55.9-27.717275.70000112.5L376 E380 Y381 G385 L386 E390 R391L376-V388 HydrophobicContact CB-CG2 4.43Å; L376-V388 HydrophobicContact CD1-CG1 4.16Å; L376-V388 HydrophobicContact CD2-CG2 3.97Å; E380-V388 HydrophobicContact CB-CG2 3.87Å; Y381-V388 HydrophobicContact CD2-CG1 4.14Å; G385-V388 WeakPolarHBondContact O-CG1 3.31Å; G385-V388 PolarHBondContact O-N 3.04Å; L386-V388 PolarHBondContact O-N 3.19Å; L386-V388 VanDerWaalsContact O-N 3.08Å; V388-E390 PolarHBondContact O-N 3.44Å; V388-R391 WeakPolarHBondContact O-CB 3.46Å; V388-R391 PolarHBondContact O-N 2.68Å; V388-R391 VanDerWaalsContact O-N 3.12Å
389L86.9Confident79Confident11 Ų1187.3 Ų87.36%0.05841%0.409CS..G310 helixtrans-63.8-19.5175.7-74.2175.4000113.6R122 E123 V126 L376 L386 K387 R391 L392 N393R122-L389 HydrophobicContact CG-CD1 4.5Å; R122-L389 HydrophobicContact CG-CD2 4.22Å; E123-L389 HydrophobicContact CB-CD1 4.4Å; E123-L389 HydrophobicContact CG-CD1 3.62Å; V126-L389 HydrophobicContact CG2-CD1 4.37Å; V126-L389 HydrophobicContact CG2-CD2 3.78Å; V126-L389 HydrophobicContact CG2-CG 4.27Å; L376-L389 HydrophobicContact CD1-CD2 4.11Å; L386-L389 WeakPolarHBondContact O-CB 3.18Å; L386-L389 PolarHBondContact O-N 3.39Å; K387-L389 PolarHBondContact O-N 2.65Å; K387-L389 VanDerWaalsContact O-N 3.14Å; L389-R391 PolarHBondContact O-N 2.9Å; L389-L392 HydrophobicContact CD2-CD1 3.87Å; L389-L392 WeakPolarHBondContact O-CA 3.38Å; L389-L392 WeakPolarHBondContact O-CB 3.24Å; L389-L392 PolarHBondContact O-N 3.07Å; L389-N393 PolarHBondContact O-N 2.91Å
390E82.6Confident78.1Confident126 Ų12688.5 Ų88.559%0.58940%0.401SS*.G310 helixtrans-61.1-25.8173.9-65.8175.3-177.900111.9K387 V388 L392 N393K387-E390 VanDerWaalsContact O-CB 3.29Å; K387-E390 WeakPolarHBondContact O-CB 3.29Å; K387-E390 WeakPolarHBondContact O-CG 3.24Å; K387-E390 PolarHBondContact O-N 3.08Å; V388-E390 PolarHBondContact O-N 3.44Å; E390-L392 PolarHBondContact O-N 2.97Å; E390-N393 WeakPolarHBondContact O-CB 3.43Å; E390-N393 PolarHBondContact O-N 2.66Å; E390-N393 VanDerWaalsContact O-N 3.17Å
391R75.4Confident77.2Confident62 Ų6291.6 Ų91.623%0.23441%0.414CS..G310 helixtrans-65.3-25.5171.2-70-174.958.6-146-18.8113.1R372 T373 W375 L376 E380 V388 L389 Y394R372-R391 PolarHBondContact O-NH2 3.06Å; T373-R391 VanDerWaalsContact C-NH2 3.32Å; T373-R391 PolarHBondContact O-NH2 2.83Å; W375-R391 PolarHBondContact O-NH1 2.98Å; L376-R391 HydrophobicContact CD2-CB 4.49Å; E380-R391 IonicContact OE1-CZ 3.23Å; E380-R391 IonicContact OE1-NE 3.44Å; E380-R391 IonicContact OE1-NH1 2.65Å; E380-R391 PolarHBondContact OE1-NH1 3.02Å; E380-R391 IonicContact OE2-NH1 2.9Å; E380-R391 PolarHBondContact OE2-NH1 3.34Å; V388-R391 WeakPolarHBondContact O-CB 3.46Å; V388-R391 PolarHBondContact O-N 2.68Å; V388-R391 VanDerWaalsContact O-N 3.12Å; L389-R391 PolarHBondContact O-N 2.9Å; R391-Y394 WeakPolarHBondContact O-CD2 3.36Å
392L68.9Low76Confident24 Ų2496.5 Ų96.513%0.12644%0.437CS..G310 helixtrans-90.1-5.1177.6-59.9-178.4000112.3F139 L376 L389 E390 Y394F139-L392 HydrophobicContact CE2-CD2 4.49Å; L376-L392 HydrophobicContact CD1-CD1 3.79Å; L376-L392 HydrophobicContact CD1-CG 4.37Å; L376-L392 HydrophobicContact CD2-CD1 4.38Å; L376-L392 HydrophobicContact CD2-CD2 4.22Å; L376-L392 HydrophobicContact CD2-CG 4.09Å; L376-L392 HydrophobicContact CG-CD1 4.27Å; L389-L392 HydrophobicContact CD2-CD1 3.87Å; L389-L392 WeakPolarHBondContact O-CA 3.38Å; L389-L392 WeakPolarHBondContact O-CB 3.24Å; L389-L392 PolarHBondContact O-N 3.07Å; E390-L392 PolarHBondContact O-N 2.97Å; L392-Y394 PolarHBondContact O-N 3.07Å
393N55.1Low74.6Confident73 Ų7394.5 Ų94.539%0.3943%0.427SS..G310 helixtrans-74.112.3179.2-76.3-24.6000114.2L389 E390 Y395L389-N393 PolarHBondContact O-N 2.91Å; E390-N393 WeakPolarHBondContact O-CB 3.43Å; E390-N393 PolarHBondContact O-N 2.66Å; E390-N393 VanDerWaalsContact O-N 3.17Å; N393-Y395 PolarHBondContact O-N 3.2Å
394Y45.4Very low73.1Confident203 Ų20390.3 Ų90.380%0.79641%0.406SS*.G310 helixtrans-698.9167.6-77.6-80000114R391 L392R391-Y394 WeakPolarHBondContact O-CD2 3.36Å; L392-Y394 PolarHBondContact O-N 3.07Å
395Y40.3Very low71.4Confident114 Ų11489.2 Ų89.245%0.44740%0.402SS..G310 helixtrans-122.729177.5-60.7-79000113.9L175 N393L175-Y395 HydrophobicContact CD2-CD1 3.76Å; L175-Y395 HydrophobicContact CD2-CE1 3.74Å; N393-Y395 PolarHBondContact O-N 3.2Å
396K34.3Very low69.3Low226 Ų22695.1 Ų95.198%0.98342%0.416SS*.  trans-79.50167.4-84.5-169178.1-179.40112

Retrieved 396 of 396 residues in 342.2 ms (Link to these results)

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