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GTP-binding nuclear protein Ran

GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis.

AlphaFold DB , UniProt , Accession P79735, Species DANRE (Danio rerio, Zebrafish), Gene ran, Length 215 aa.

Structure Viewer
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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
1M36.4Very low71.8Confident238 Ų238113.5 Ų113.5100%1.17259%0.59SS**  01150-64.1175.3-170.600105.4E3M1-E3 PolarHBondContact O-N 3.19Å; M1-E3 VanDerWaalsContact O-N 3.16Å
2A47.2Very low74.1Confident104 Ų104104.1 Ų104.186%0.8654%0.542SS*.  trans-72.9104.5174.200000106.6N4A2-N4 PolarHBondContact O-N 2.95Å
3E52.2Low75.8Confident178 Ų17896.1 Ų96.183%0.83250%0.5SS*.  trans-55.6129.7169.3-72.6178.1159.600107.9M1 E5M1-E3 PolarHBondContact O-N 3.19Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-E5 PolarHBondContact O-N 2.9Å
4N61.3Low77.4Confident166 Ų16689.3 Ų89.389%0.88847%0.465SS*.  trans-51103.5-178-88.8-19.8000110.2A2A2-N4 PolarHBondContact O-N 2.95Å
5E62.5Low78.6Confident141 Ų14183.3 Ų83.366%0.65943%0.434SS*.  trans-61.7136173.5-70.7-157.3111.600109.5E3 Q7 K59E3-E5 PolarHBondContact O-N 2.9Å; E5-Q7 PolarHBondContact O-N 3.25Å; E5-Q7 VanDerWaalsContact O-N 3.14Å; E5-K59 IonicContact OE1-NZ 2.83Å; E5-K59 PolarHBondContact OE1-NZ 3.01Å
6P66.4Low79.8Confident27 Ų2778.2 Ų78.218%0.17541%0.407CS..  trans-52.5123170.3-25.332.2000110V8 V50 A57 K59P6-V8 PolarHBondContact O-N 2.79Å; P6-V50 HydrophobicContact CG-CG1 4.03Å; P6-V50 HydrophobicContact CG-CG2 4.21Å; P6-A57 HydrophobicContact CB-CB 4.05Å; P6-A57 HydrophobicContact CG-CB 4.02Å; P6-K59 HydrophobicContact CB-CB 4.16Å; P6-K59 HydrophobicContact CG-CB 4.23Å
7Q76.4Confident80.7Confident197 Ų19774.9 Ų74.992%0.92139%0.39SS*.SBendtrans-63.1-27.4179.3-71.5-176.1-8.200112.2E5E5-Q7 PolarHBondContact O-N 3.25Å; E5-Q7 VanDerWaalsContact O-N 3.14Å
8V94.8Very high81.4Confident58 Ų5872.2 Ų72.235%0.35238%0.384SS..EExtended strand (participates in β ladder)trans-100.2113.4179.9-175.30000109.8P6 F10 K59 I168P6-V8 PolarHBondContact O-N 2.79Å; V8-F10 HydrophobicContact CG1-CD2 4.35Å; V8-F10 HydrophobicContact CG1-CE1 4.45Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.51Å; V8-K59 PolarHBondContact O-N 3.04Å; V8-I168 HydrophobicContact CG1-CD1 3.93Å
9Q96.9Very high82.1Confident94 Ų9469.7 Ų69.744%0.43938%0.377SS..EExtended strand (participates in β ladder)trans-133.3144.9177.162.2178.2-9.200112.4K59 N61Q9-K59 CarbonylContact C-O 3.59Å; Q9-K59 WeakPolarHBondContact CA-O 3.28Å; Q9-K59 HydrophobicContact CB-CB 4.01Å; Q9-K59 HydrophobicContact CB-CD 4.46Å; Q9-N61 PolarHBondContact OE1-ND2 2.96Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.14Å
10F98.2Very high82.8Confident20 Ų2066.3 Ų66.39%0.08836%0.358CS..EExtended strand (participates in β ladder)trans-128.8135.8179.8-58.2-71.8000111.2V8 L12 I58 K59 Y60 N61 Q83 L167 I168V8-F10 HydrophobicContact CG1-CD2 4.35Å; V8-F10 HydrophobicContact CG1-CE1 4.45Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.51Å; F10-L12 PolarHBondContact O-N 3.24Å; F10-I58 HydrophobicContact CD2-CG2 3.71Å; F10-I58 HydrophobicContact CE2-CG2 3.76Å; F10-K59 PolarHBondContact N-O 2.96Å; F10-Y60 HydrophobicContact CB-CD1 3.93Å; F10-Y60 HydrophobicContact CB-CE1 4.08Å; F10-Y60 HydrophobicContact CD2-CE1 4.12Å; F10-Y60 HydrophobicContact CG-CE1 4.48Å; F10-Y60 CarbonylContact O-C 3.49Å; F10-Y60 WeakPolarHBondContact O-CA 3.37Å; F10-N61 PolarHBondContact O-N 2.83Å; F10-Q83 VanDerWaalsContact CA-OE1 3.26Å; F10-Q83 HydrophobicContact CB-CB 4.39Å; F10-Q83 HydrophobicContact CD1-CB 4.18Å; F10-L167 HydrophobicContact CB-CD1 4.11Å; F10-L167 HydrophobicContact CD1-CB 4.33Å; F10-L167 HydrophobicContact CD1-CD1 3.98Å; F10-L167 HydrophobicContact CD1-CD2 4.08Å; F10-L167 HydrophobicContact CD1-CG 4.37Å; F10-L167 HydrophobicContact CD2-CB 4.44Å; F10-L167 HydrophobicContact CD2-CD1 3.77Å; F10-L167 HydrophobicContact CE1-CB 3.88Å; F10-L167 HydrophobicContact CE1-CD1 4.36Å; F10-L167 HydrophobicContact CE1-CD2 4.22Å; F10-L167 HydrophobicContact CE1-CG 4.39Å; F10-L167 HydrophobicContact CE2-CB 3.97Å; F10-L167 HydrophobicContact CE2-CD1 4.14Å; F10-L167 HydrophobicContact CG-CD1 3.69Å; F10-L167 HydrophobicContact CZ-CB 3.69Å; F10-L167 HydrophobicContact CZ-CD1 4.44Å; F10-I168 HydrophobicContact CE2-CD1 4.03Å; F10-I168 HydrophobicContact CZ-CD1 3.87Å
11K98.1Very high83.4Confident25 Ų2563.7 Ų63.711%0.10935%0.347CS..EExtended strand (participates in β ladder)trans-74.9114.6165179.4171.1171.8173.40109W63 Y78 I80 Q83 C84K11-W63 HydrophobicContact CD-CD2 4.47Å; K11-W63 HydrophobicContact CD-CZ2 4.32Å; K11-W63 HydrophobicContact CG-CG 4.48Å; K11-Y78 WeakPolarHBondContact CE-O 3.27Å; K11-Y78 PolarHBondContact NZ-O 2.85Å; K11-I80 PolarHBondContact NZ-O 2.84Å; K11-Q83 PolarHBondContact O-N 3.12Å; K11-C84 PolarHBondContact O-N 2.93Å
12L98.5Very high86.3Confident1 Ų152.8 Ų52.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-107.1122.4173.5-173.3155000108.7F10 L14 Y60 N61 V62 W63 C84 I86 F160 L163F10-L12 PolarHBondContact O-N 3.24Å; L12-L14 HydrophobicContact CD2-CB 4.22Å; L12-Y60 HydrophobicContact CB-CD1 4.04Å; L12-Y60 HydrophobicContact CD1-CD1 3.86Å; L12-Y60 HydrophobicContact CD1-CE1 4.27Å; L12-Y60 HydrophobicContact CD1-CG 4.24Å; L12-N61 PolarHBondContact N-O 3.27Å; L12-V62 HydrophobicContact CB-CG2 4.32Å; L12-V62 HydrophobicContact CD2-CG1 3.89Å; L12-V62 HydrophobicContact CD2-CG2 4.27Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.37Å; L12-W63 PolarHBondContact O-N 3.43Å; L12-C84 WeakPolarHBondContact CA-O 3.48Å; L12-C84 VanDerWaalsContact CB-SG 3.56Å; L12-I86 HydrophobicContact CD1-CD1 4.09Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.22Å; L12-I86 HydrophobicContact CD2-CG1 4.21Å; L12-F160 HydrophobicContact CD1-CD1 4.09Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.39Å
13V97.3Very high88.5Confident0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-96.6126.4172.4-64.40000110.5W63 Y79 A82 C84 A85 I86 L107V13-W63 HydrophobicContact CG1-CB 4.19Å; V13-Y79 HydrophobicContact CB-CD1 4.45Å; V13-Y79 HydrophobicContact CG1-CD1 4.46Å; V13-Y79 HydrophobicContact CG2-CD1 4.39Å; V13-A82 HydrophobicContact CB-CB 4.41Å; V13-A82 HydrophobicContact CG1-CB 3.71Å; V13-A82 HydrophobicContact CG2-CB 3.82Å; V13-C84 PolarHBondContact N-O 2.95Å; V13-A85 HydrophobicContact CG2-CB 3.55Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 VanDerWaalsContact O-CA 3.23Å; V13-A85 WeakPolarHBondContact O-CA 3.12Å; V13-A85 WeakPolarHBondContact O-CB 3.44Å; V13-I86 PolarHBondContact O-N 3.36Å; V13-L107 HydrophobicContact CG2-CD1 3.48Å; V13-L107 VanDerWaalsContact CG2-CD1 3.48Å
14L97.5Very high90.5Very high1 Ų141.5 Ų41.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-106.9112.3178.5176.961000109L12 K22 F25 V26 V62 W63 T65 I86 M88L12-L14 HydrophobicContact CD2-CB 4.22Å; L14-K22 HydrophobicContact CD1-CB 4.49Å; L14-K22 HydrophobicContact CD1-CD 4.42Å; L14-K22 HydrophobicContact CD1-CG 4.16Å; L14-K22 HydrophobicContact CD2-CB 3.63Å; L14-K22 HydrophobicContact CD2-CG 4.19Å; L14-K22 HydrophobicContact CG-CB 3.85Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.9Å; L14-F25 HydrophobicContact CD2-CD1 4.41Å; L14-V26 HydrophobicContact CD2-CG2 3.27Å; L14-V62 HydrophobicContact CB-CG1 4.11Å; L14-V62 HydrophobicContact CD2-CG1 4.46Å; L14-W63 PolarHBondContact N-O 3.09Å; L14-T65 PolarHBondContact O-N 3.05Å; L14-T65 PolarHBondContact O-OG1 3.45Å; L14-I86 WeakPolarHBondContact CA-O 3.38Å; L14-I86 HydrophobicContact CD1-CB 3.67Å; L14-I86 HydrophobicContact CD1-CG2 3.58Å; L14-M88 HydrophobicContact CD1-CB 4.42Å; L14-M88 HydrophobicContact CD1-CE 4.21Å
15V96.2Very high92.1Very high0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-127.3166-172-58.10000111.8K22 T65 Y79 I86 I87 M88 W103V15-K22 VanDerWaalsContact C-CD 3.47Å; V15-T65 HydrophobicContact CG1-CG2 4.46Å; V15-Y79 HydrophobicContact CG1-CD1 4.43Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-I86 PolarHBondContact N-O 3.04Å; V15-I87 HydrophobicContact CG2-CB 4.21Å; V15-I87 HydrophobicContact CG2-CG1 3.7Å; V15-I87 HydrophobicContact CG2-CG2 4.28Å; V15-I87 WeakPolarHBondContact O-CA 3.3Å; V15-M88 PolarHBondContact O-N 3.46Å; V15-W103 HydrophobicContact CB-CD2 4.41Å; V15-W103 HydrophobicContact CB-CE3 3.82Å; V15-W103 HydrophobicContact CB-CZ3 4.26Å; V15-W103 HydrophobicContact CG1-CE3 4.47Å; V15-W103 HydrophobicContact CG2-CB 4.31Å; V15-W103 HydrophobicContact CG2-CE3 4.43Å
16G96.7Very high93.6Very high1 Ų126.9 Ų26.91%0.0115%0.152CC..  trans134.2167.8-177.100000111.7K22 G67 M88 W103G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.32Å; G16-G67 WeakPolarHBondContact O-CA 3.39Å; G16-M88 WeakPolarHBondContact CA-O 3.44Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.46Å
17D95.6Very high94.7Very high23 Ų2328.7 Ų28.712%0.12316%0.157CC..  trans-56.2160-174.3-78.514.3000113.9T20 K22 G67 T96 N99 W103D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-OG1 3.1Å; D17-K22 PolarHBondContact O-NZ 2.92Å; D17-G67 CarbonylContact C-O 3.57Å; D17-T96 HydrophobicContact CB-CG2 3.84Å; D17-T96 WeakPolarHBondContact OD2-CA 3.36Å; D17-N99 WeakPolarHBondContact OD1-CB 3.35Å; D17-N99 PolarHBondContact OD2-ND2 3.29Å; D17-W103 PolarHBondContact OD1-NE1 2.88Å
18G93.9Very high95.4Very high26 Ų2619.4 Ų19.427%0.26811%0.114SC..THydrogen-bonded Turntrans-58.8139.8170.100000111.3T20 G67G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 2.95Å; G18-G67 VanDerWaalsContact N-C 3.33Å; G18-G67 PolarHBondContact N-O 2.92Å
19G93.9Very high95.1Very high25 Ų2517.4 Ų17.426%0.25810%0.101SC..THydrogen-bonded Turntrans78.12176.100000115.7G21 K122G19-G21 PolarHBondContact O-N 3.16Å; G19-K122 WeakPolarHBondContact O-CE 3.38Å; G19-K122 PolarHBondContact O-NZ 2.72Å
20T96.7Very high94.6Very high0 Ų016.8 Ų16.80%010%0.1CC..SBendtrans-68.9-18.8175.956.90000113.6D17 G18 D90 T96 N121D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-OG1 3.1Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 2.95Å; T20-D90 HydrophobicContact CG2-CB 4.34Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; T20-N121 PolarHBondContact O-ND2 3.44Å
21G95.7Very high93.8Very high13 Ų1319.5 Ų19.513%0.13412%0.118CC..SBendtrans105.216.5176.300000115.3G19 T24 F25G19-G21 PolarHBondContact O-N 3.16Å; G21-T24 PolarHBondContact O-N 3.05Å; G21-F25 WeakPolarHBondContact O-CB 3.42Å; G21-F25 PolarHBondContact O-N 3.32Å
22K96.2Very high93Very high9 Ų918.3 Ų18.34%0.03911%0.114CC..Hα-helixtrans-51.2-57.6179-62.7-174.3-52.2-72.30113.2L14 V15 G16 D17 T24 F25 V26 D64 T65 M88L14-K22 HydrophobicContact CD1-CB 4.49Å; L14-K22 HydrophobicContact CD1-CD 4.42Å; L14-K22 HydrophobicContact CD1-CG 4.16Å; L14-K22 HydrophobicContact CD2-CB 3.63Å; L14-K22 HydrophobicContact CD2-CG 4.19Å; L14-K22 HydrophobicContact CG-CB 3.85Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.9Å; V15-K22 VanDerWaalsContact C-CD 3.47Å; G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.32Å; D17-K22 PolarHBondContact O-NZ 2.92Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.42Å; K22-F25 WeakPolarHBondContact O-CB 3.31Å; K22-F25 PolarHBondContact O-N 3.2Å; K22-F25 VanDerWaalsContact O-N 3.11Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.47Å; K22-T65 WeakPolarHBondContact CE-O 3.36Å; K22-M88 HydrophobicContact CG-CB 4.07Å; K22-M88 HydrophobicContact CG-SD 4.1Å
23T94.1Very high92.1Very high22 Ų2224.8 Ų24.814%0.13514%0.144CC..Hα-helixtrans-59.8-43.5179-46.50000112.3F25 V26 K27 T41 D64T23-F25 VanDerWaalsContact C-N 3.31Å; T23-F25 PolarHBondContact O-N 3.44Å; T23-V26 PolarHBondContact O-N 3.39Å; T23-K27 HydrophobicContact CG2-CD 4.15Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.39Å; T23-K27 WeakPolarHBondContact O-CG 3.4Å; T23-K27 PolarHBondContact O-N 3.04Å; T23-T41 PolarHBondContact OG1-OG1 3.35Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.28Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact OG1-OD2 3.3Å
24T93.9Very high91.3Very high23 Ų2327.1 Ų27.114%0.14115%0.154CC..Hα-helixtrans-60.6-41.7175.9-51.30000111.5G21 K22 R28 F34 E35 A150G21-T24 PolarHBondContact O-N 3.05Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.42Å; T24-R28 WeakPolarHBondContact O-CB 3.46Å; T24-R28 PolarHBondContact O-N 3.21Å; T24-F34 HydrophobicContact CG2-CD2 3.51Å; T24-F34 HydrophobicContact CG2-CE2 3.39Å; T24-F34 HydrophobicContact CG2-CG 4.33Å; T24-F34 HydrophobicContact CG2-CZ 4.14Å; T24-E35 HydrophobicContact CG2-CB 4.37Å; T24-A150 HydrophobicContact CG2-CB 4.22Å
25F94.9Very high90.5Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-64.1-40.3177.2177.1-96.7000112.4L14 G21 K22 T23 H29 I86 M88 I148 A150 F156 P159 F160L14-F25 HydrophobicContact CD2-CD1 4.41Å; G21-F25 WeakPolarHBondContact O-CB 3.42Å; G21-F25 PolarHBondContact O-N 3.32Å; K22-F25 WeakPolarHBondContact O-CB 3.31Å; K22-F25 PolarHBondContact O-N 3.2Å; K22-F25 VanDerWaalsContact O-N 3.11Å; T23-F25 VanDerWaalsContact C-N 3.31Å; T23-F25 PolarHBondContact O-N 3.44Å; F25-H29 AromaticContact CE2-CE1 3.69Å; F25-H29 AromaticContact CZ-CE1 3.57Å; F25-H29 PolarHBondContact O-N 3.29Å; F25-H29 PolarHBondContact O-ND1 3.16Å; F25-I86 HydrophobicContact CE1-CD1 4.09Å; F25-M88 HydrophobicContact CB-CE 3.75Å; F25-M88 HydrophobicContact CD1-CE 3.96Å; F25-M88 HydrophobicContact CD2-CE 4.15Å; F25-M88 HydrophobicContact CG-CE 3.7Å; F25-I148 HydrophobicContact CD2-CD1 3.67Å; F25-I148 HydrophobicContact CE2-CD1 3.65Å; F25-I148 HydrophobicContact CZ-CD1 4.47Å; F25-A150 HydrophobicContact CB-CB 4.26Å; F25-F156 HydrophobicContact CB-CE2 4.45Å; F25-F156 AromaticContact CD2-CD2 3.6Å; F25-F156 HydrophobicContact CD2-CD2 3.6Å; F25-F156 AromaticContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CZ 4.14Å; F25-F156 AromaticContact CE2-CD2 3.53Å; F25-F156 HydrophobicContact CE2-CD2 3.53Å; F25-F156 AromaticContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CG 4.34Å; F25-F156 HydrophobicContact CE2-CZ 4.47Å; F25-F156 HydrophobicContact CG-CE2 4.02Å; F25-F156 WeakPolarHBondContact O-CZ 3.48Å; F25-P159 HydrophobicContact CZ-CG 4.37Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.2Å
26V93.6Very high89.8Confident0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-72.6-52.9177.7177.40000111.5L14 K22 T23 R28 H29 L30 H47 V62 D64L14-V26 HydrophobicContact CD2-CG2 3.27Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 2.93Å; T23-V26 PolarHBondContact O-N 3.39Å; V26-R28 PolarHBondContact O-N 3.07Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.49Å; V26-L30 PolarHBondContact O-N 3.39Å; V26-H47 HydrophobicContact CG1-CB 3.45Å; V26-H47 VanDerWaalsContact CG1-CB 3.45Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.32Å; V26-V62 HydrophobicContact CG2-CG1 3.64Å; V26-D64 HydrophobicContact CG2-CB 4.42Å
27K90.1Very high89.3Confident64 Ų6445.3 Ų45.328%0.27823%0.234SC..Hα-helixtrans-55.6-38.6179.8-75.7-169.2178.8-169.80111.6T23 H29 L30 T31 E35T23-K27 HydrophobicContact CG2-CD 4.15Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.39Å; T23-K27 WeakPolarHBondContact O-CG 3.4Å; T23-K27 PolarHBondContact O-N 3.04Å; K27-H29 VanDerWaalsContact C-N 3.34Å; K27-H29 PolarHBondContact O-N 3.45Å; K27-L30 WeakPolarHBondContact O-CB 3.29Å; K27-L30 PolarHBondContact O-N 3.3Å; K27-T31 PolarHBondContact O-N 3.21Å; K27-T31 PolarHBondContact O-OG1 2.93Å; K27-E35 HydrophobicContact CD-CB 4.44Å; K27-E35 IonicContact NZ-OE2 2.78Å; K27-E35 PolarHBondContact NZ-OE2 3.38Å
28R89.7Confident88.8Confident2 Ų250.1 Ų50.11%0.00825%0.251CS..Hα-helixtrans-69.5-29.1179.5-178.8162.2-145.8-179.1-3.5113.8T24 V26 L30 G32 E33 A150 K151 N153 F156 L181 A182 P183 P184T24-R28 WeakPolarHBondContact O-CB 3.46Å; T24-R28 PolarHBondContact O-N 3.21Å; V26-R28 PolarHBondContact O-N 3.07Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-G32 PolarHBondContact NE-O 2.73Å; R28-G32 WeakPolarHBondContact O-CA 3.37Å; R28-G32 PolarHBondContact O-N 2.87Å; R28-G32 VanDerWaalsContact O-N 3.09Å; R28-E33 WeakPolarHBondContact CA-O 3.44Å; R28-E33 WeakPolarHBondContact CB-O 3.21Å; R28-A150 WeakPolarHBondContact CD-O 3.46Å; R28-A150 PolarHBondContact NH1-O 2.99Å; R28-K151 VanDerWaalsContact NH1-CA 3.35Å; R28-K151 PolarHBondContact NH1-O 3.5Å; R28-N153 WeakPolarHBondContact CD-OD1 3.5Å; R28-N153 PolarHBondContact NE-OD1 3.1Å; R28-N153 PolarHBondContact NH1-OD1 2.96Å; R28-F156 HydrophobicContact CB-CE1 4.22Å; R28-F156 HydrophobicContact CB-CE2 4.46Å; R28-F156 HydrophobicContact CB-CZ 3.6Å; R28-F156 HydrophobicContact CG-CE1 3.86Å; R28-F156 HydrophobicContact CG-CE2 4.44Å; R28-F156 HydrophobicContact CG-CZ 3.6Å; R28-L181 WeakPolarHBondContact O-CD2 3.46Å; R28-A182 PolarHBondContact NH2-O 3.18Å; R28-P183 PolarHBondContact NH2-O 2.82Å; R28-P184 VanDerWaalsContact NH2-CA 3.31Å
29H88.7Confident88.5Confident17 Ų1753.3 Ų53.38%0.07927%0.265CS..Hα-helixtrans-71.3-31.4167-78.390.8000112.5F25 V26 K27 L49 F51 F156 F160F25-H29 AromaticContact CE2-CE1 3.69Å; F25-H29 AromaticContact CZ-CE1 3.57Å; F25-H29 PolarHBondContact O-N 3.29Å; F25-H29 PolarHBondContact O-ND1 3.16Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.49Å; K27-H29 VanDerWaalsContact C-N 3.34Å; K27-H29 PolarHBondContact O-N 3.45Å; H29-L49 HydrophobicContact CB-CD1 3.58Å; H29-L49 HydrophobicContact CB-CD2 3.76Å; H29-L49 HydrophobicContact CB-CG 4.3Å; H29-F51 AromaticContact CD2-CE1 3.98Å; H29-F51 AromaticContact CD2-CZ 3.7Å; H29-F156 HydrophobicContact CB-CE1 4.26Å; H29-F156 AromaticContact CD2-CD1 3.8Å; H29-F156 AromaticContact CD2-CE1 3.6Å; H29-F156 AromaticContact CE1-CD1 3.09Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.26Å; H29-F156 AromaticContact CE1-CD2 3.7Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.4Å; H29-F156 AromaticContact CE1-CE2 3.56Å; H29-F156 AromaticContact CE1-CG 3.46Å; H29-F156 VanDerWaalsContact CE1-CG 3.46Å; H29-F156 WeakPolarHBondContact CE1-CG 3.15Å; H29-F156 AromaticContact CE1-CZ 3.16Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H29-F156 PolarHBondContact CE1-O 3.18Å; H29-F156 AromaticContact CG-CE1 3.39Å; H29-F156 AromaticContact CG-CZ 3.83Å; H29-F156 AromaticContact ND1-CD1 3.69Å; H29-F156 AromaticContact ND1-CE1 3.02Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.41Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.03Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.21Å; H29-F156 AromaticContact NE2-CD1 3.19Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.5Å; H29-F156 AromaticContact NE2-CE1 3.36Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.39Å; H29-F156 AromaticContact NE2-CG 3.78Å; H29-F156 PolarHBondContact NE2-O 3.05Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.94Å; H29-F160 AromaticContact CE1-CE2 3.3Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.34Å; H29-F160 AromaticContact ND1-CE2 3.72Å; H29-F160 AromaticContact NE2-CD2 3.62Å; H29-F160 AromaticContact NE2-CE2 3.41Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.23Å
30L86.2Confident88.1Confident80 Ų8053.3 Ų53.342%0.41926%0.263SS..Hα-helixtrans-79.9-48.4-175-174.765.9000112.9V26 K27 R28 H47 L49V26-L30 PolarHBondContact O-N 3.39Å; K27-L30 WeakPolarHBondContact O-CB 3.29Å; K27-L30 PolarHBondContact O-N 3.3Å; R28-L30 VanDerWaalsContact C-N 3.34Å; L30-H47 WeakPolarHBondContact CD2-ND1 3.17Å; L30-L49 HydrophobicContact CB-CD2 3.9Å; L30-L49 HydrophobicContact CD1-CD2 4.07Å
31T83Confident87.4Confident77 Ų7753.9 Ų53.947%0.47227%0.266SS..Hα-helixtrans-116.6-7.8-172.268.20000113.1K27 E33K27-T31 PolarHBondContact O-N 3.21Å; K27-T31 PolarHBondContact O-OG1 2.93Å; T31-E33 PolarHBondContact O-N 2.66Å; T31-E33 WeakPolarHBondContact OG1-CB 3.43Å; T31-E33 PolarHBondContact OG1-N 3.07Å
32G80.4Confident86.9Confident1 Ų159.2 Ų59.21%0.0129%0.291CS..SBendtrans77.5-18.7-170.500000114.1R28 A182R28-G32 PolarHBondContact NE-O 2.73Å; R28-G32 WeakPolarHBondContact O-CA 3.37Å; R28-G32 PolarHBondContact O-N 2.87Å; R28-G32 VanDerWaalsContact O-N 3.09Å; G32-A182 WeakPolarHBondContact O-CB 3.14Å; G32-A182 PolarHBondContact O-N 3.28Å
33E79.2Confident86.5Confident136 Ų13659.4 Ų59.464%0.63630%0.296SS*.  trans-75.9145.3-172.5-61-177.1163.200112.9R28 T31R28-E33 WeakPolarHBondContact CA-O 3.44Å; R28-E33 WeakPolarHBondContact CB-O 3.21Å; T31-E33 PolarHBondContact O-N 2.66Å; T31-E33 WeakPolarHBondContact OG1-CB 3.43Å; T31-E33 PolarHBondContact OG1-N 3.07Å
34F80.9Confident86.3Confident49 Ų4960.3 Ų60.322%0.21530%0.301CS..  trans-94.7116.8172.3-177-96.7000110.9T24 K36 A150 K151 E185T24-F34 HydrophobicContact CG2-CD2 3.51Å; T24-F34 HydrophobicContact CG2-CE2 3.39Å; T24-F34 HydrophobicContact CG2-CG 4.33Å; T24-F34 HydrophobicContact CG2-CZ 4.14Å; F34-K36 HydrophobicContact CD1-CG 3.84Å; F34-K36 HydrophobicContact CE1-CG 4.1Å; F34-K36 PolarHBondContact O-N 3.45Å; F34-A150 WeakPolarHBondContact CD2-O 3.03Å; F34-K151 HydrophobicContact CD2-CB 4.3Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CD 4.49Å; F34-K151 HydrophobicContact CE1-CG 4.28Å; F34-K151 VanDerWaalsContact CE2-CA 3.45Å; F34-K151 HydrophobicContact CE2-CB 3.6Å; F34-K151 HydrophobicContact CE2-CG 3.85Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.11Å; F34-K151 HydrophobicContact CZ-CG 3.79Å; F34-E185 HydrophobicContact CB-CG 3.78Å; F34-E185 HydrophobicContact CD1-CG 3.98Å; F34-E185 VanDerWaalsContact CD1-OE1 3.26Å; F34-E185 WeakPolarHBondContact CD1-OE1 3.41Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.25Å; F34-E185 HydrophobicContact CG-CG 3.98Å
35E80.8Confident86.2Confident67 Ų6763 Ų6331%0.31331%0.312SS..  trans-75.8104174.8-176.370.1-107.100110.6T24 K27 K37T24-E35 HydrophobicContact CG2-CB 4.37Å; K27-E35 HydrophobicContact CD-CB 4.44Å; K27-E35 IonicContact NZ-OE2 2.78Å; K27-E35 PolarHBondContact NZ-OE2 3.38Å; E35-K37 WeakPolarHBondContact CG-O 3.18Å
36K82.4Confident86.2Confident163 Ų16366.3 Ų66.371%0.70933%0.332SS*.  trans-74.8-33.8178.9-66.9-177.8-177.1177.20113.2F34 E185F34-K36 HydrophobicContact CD1-CG 3.84Å; F34-K36 HydrophobicContact CE1-CG 4.1Å; F34-K36 PolarHBondContact O-N 3.45Å; K36-E185 VanDerWaalsContact CE-CD 3.44Å; K36-E185 WeakPolarHBondContact CE-OE1 3.4Å; K36-E185 WeakPolarHBondContact CE-OE2 3.43Å; K36-E185 IonicContact NZ-OE1 3.67Å
37K85.7Confident86.2Confident154 Ų15467.4 Ų67.467%0.6734%0.337SS*.SBendtrans-91.1124.9-174-173.8178.9178.2-177.40109.5E35 V39E35-K37 WeakPolarHBondContact CG-O 3.18Å; K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.27Å; K37-V39 PolarHBondContact O-N 3.33Å
38Y85.3Confident86.4Confident124 Ų12467.6 Ų67.649%0.48635%0.345SS..  trans-72.6113.4170179.8-116.2000110.1A40 Q68Y38-A40 HydrophobicContact CE1-CB 4.27Å; Y38-Q68 PolarHBondContact OH-NE2 3.27Å
39V85.9Confident86.6Confident94 Ų9467.9 Ų67.957%0.5735%0.346SS*.  trans-117.1122.4164.5-177.40000106.2K37 T41K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.27Å; K37-V39 PolarHBondContact O-N 3.33Å; V39-T41 PolarHBondContact O-N 2.86Å
40A86.5Confident86.9Confident25 Ų2569.9 Ų69.921%0.20736%0.36CS..  trans-67.8127.9-179.300000110.2Y38 L42 F71Y38-A40 HydrophobicContact CE1-CB 4.27Å; A40-L42 PolarHBondContact O-N 3.46Å; A40-F71 HydrophobicContact CB-CD2 4.03Å; A40-F71 HydrophobicContact CB-CE2 3.9Å
41T82.9Confident87.2Confident12 Ų1266.3 Ų66.37%0.07434%0.341CS..  trans-58.4133171.2-390000109.8T23 V39 E45 D64 A66T23-T41 PolarHBondContact OG1-OG1 3.35Å; V39-T41 PolarHBondContact O-N 2.86Å; T41-E45 HydrophobicContact CG2-CG 4.1Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; T41-A66 WeakPolarHBondContact O-CB 3.35Å
42L85.2Confident87.7Confident125 Ų12566.6 Ų66.665%0.65434%0.337SS*.  trans-97.5112.7174.9-62.2177.8000108.7A40 V44 F71A40-L42 PolarHBondContact O-N 3.46Å; L42-V44 PolarHBondContact O-N 3Å; L42-F71 HydrophobicContact CD2-CD1 3.72Å; L42-F71 HydrophobicContact CD2-CE1 4.02Å; L42-F71 HydrophobicContact CD2-CG 4.06Å
43G86.4Confident88.4Confident13 Ų1366.9 Ų66.913%0.13434%0.338CS..SBendtrans67.7-101.5-177.400000112.8A66 F71 Y78G43-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 PolarHBondContact O-N 2.94Å; G43-F71 PolarHBondContact N-O 3.16Å; G43-Y78 VanDerWaalsContact CA-OH 3.24Å; G43-Y78 WeakPolarHBondContact CA-OH 3.47Å
44V90.4Very high89.2Confident40 Ų4063.1 Ų63.124%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-145.6141.7-179.267.90000111.4L42 V46 W63 D64 T65 Y78L42-V44 PolarHBondContact O-N 3Å; V44-V46 HydrophobicContact CG2-CG2 4.47Å; V44-W63 HydrophobicContact CG1-CE3 4.41Å; V44-W63 HydrophobicContact CG2-CB 3.84Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.34Å; V44-D64 VanDerWaalsContact CA-O 3.3Å; V44-D64 WeakPolarHBondContact CA-O 3.47Å; V44-D64 WeakPolarHBondContact CG2-O 3.18Å; V44-T65 HydrophobicContact CG2-CG2 4.31Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.49Å; V44-Y78 HydrophobicContact CB-CG 4.35Å; V44-Y78 HydrophobicContact CG1-CD1 3.64Å; V44-Y78 HydrophobicContact CG1-CE1 3.27Å; V44-Y78 HydrophobicContact CG2-CD1 4.43Å
45E92.6Very high89.9Confident80 Ų8067.6 Ų67.637%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-115.4136.7163.2-66.4-177.7-174.200109.5T41 H47 D64T41-E45 HydrophobicContact CG2-CG 4.1Å; E45-H47 VanDerWaalsContact CB-NE2 3.33Å; E45-H47 WeakPolarHBondContact CB-NE2 3.46Å; E45-H47 IonicContact OE2-CE1 3.16Å; E45-H47 PolarHBondContact OE2-CE1 3.27Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 2.89Å; E45-D64 PolarHBondContact N-O 3.22Å; E45-D64 PolarHBondContact O-N 2.99Å
46V94.6Very high90.5Very high70 Ų7066.3 Ų66.342%0.42434%0.343SS..EExtended strand (participates in β ladder)trans-107.3120-179.4-175.10000109.8V44 N61 V62 W63V44-V46 HydrophobicContact CG2-CG2 4.47Å; V46-N61 HydrophobicContact CG1-CB 4.35Å; V46-V62 CarbonylContact C-O 3.6Å; V46-V62 WeakPolarHBondContact CA-O 3.46Å; V46-W63 HydrophobicContact CG2-CD2 3.91Å; V46-W63 HydrophobicContact CG2-CE3 4.49Å; V46-W63 HydrophobicContact CG2-CG 4.05Å; V46-W63 HydrophobicContact CG2-CZ2 4.33Å
47H94.4Very high91.1Very high23 Ų2360 Ų6011%0.10632%0.321CS..EExtended strand (participates in β ladder)trans-120117.4-175.7-64-82.3000110.2V26 L30 E45 L49 V62V26-H47 HydrophobicContact CG1-CB 3.45Å; V26-H47 VanDerWaalsContact CG1-CB 3.45Å; L30-H47 WeakPolarHBondContact CD2-ND1 3.17Å; E45-H47 VanDerWaalsContact CB-NE2 3.33Å; E45-H47 WeakPolarHBondContact CB-NE2 3.46Å; E45-H47 IonicContact OE2-CE1 3.16Å; E45-H47 PolarHBondContact OE2-CE1 3.27Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 2.89Å; H47-L49 PolarHBondContact O-N 2.86Å; H47-V62 PolarHBondContact N-O 2.89Å; H47-V62 PolarHBondContact O-N 3.26Å
48P94.2Very high91.5Very high68 Ų6853 Ų5344%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-77.1118.117430.3-31.9000110.2K59P48-K59 HydrophobicContact CB-CD 4.28Å; P48-K59 HydrophobicContact CB-CG 4.45Å
49L93.9Very high92.1Very high7 Ų747.9 Ų47.94%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-112.2122.8173.6-61-176.3000109.8H29 L30 H47 F51 K59 Y60 V62 F160H29-L49 HydrophobicContact CB-CD1 3.58Å; H29-L49 HydrophobicContact CB-CD2 3.76Å; H29-L49 HydrophobicContact CB-CG 4.3Å; L30-L49 HydrophobicContact CB-CD2 3.9Å; L30-L49 HydrophobicContact CD1-CD2 4.07Å; H47-L49 PolarHBondContact O-N 2.86Å; L49-F51 HydrophobicContact CB-CE2 3.8Å; L49-F51 HydrophobicContact CD1-CE2 4.49Å; L49-K59 CarbonylContact O-C 3.59Å; L49-K59 WeakPolarHBondContact O-CA 3.46Å; L49-Y60 PolarHBondContact N-O 2.97Å; L49-Y60 PolarHBondContact O-N 3.49Å; L49-V62 HydrophobicContact CD1-CG2 3.74Å; L49-V62 HydrophobicContact CG-CG2 4.05Å; L49-F160 HydrophobicContact CD1-CE1 3.98Å; L49-F160 HydrophobicContact CD1-CZ 3.73Å
50V93.1Very high92.6Very high60 Ų6043.4 Ų43.436%0.36424%0.244SC..EExtended strand (participates in β ladder)trans-105.8127.2179.7-177.20000109.7P6 A57 I58 K59P6-V50 HydrophobicContact CG-CG1 4.03Å; P6-V50 HydrophobicContact CG-CG2 4.21Å; V50-A57 HydrophobicContact CG1-CB 4.04Å; V50-I58 WeakPolarHBondContact CA-O 3.33Å; V50-K59 HydrophobicContact CG2-CB 4.35Å; V50-K59 HydrophobicContact CG2-CG 4.19Å
51F93.5Very high93.1Very high4 Ų444 Ų442%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-116.1128.4175-64.8-96.4000109.4H29 L49 A57 I58 Y60 F160 F175 P179H29-F51 AromaticContact CD2-CE1 3.98Å; H29-F51 AromaticContact CD2-CZ 3.7Å; L49-F51 HydrophobicContact CB-CE2 3.8Å; L49-F51 HydrophobicContact CD1-CE2 4.49Å; F51-A57 WeakPolarHBondContact O-CA 3.31Å; F51-I58 PolarHBondContact N-O 3.44Å; F51-I58 PolarHBondContact O-N 3.04Å; F51-Y60 AromaticContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CE2 4.04Å; F51-Y60 AromaticContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CE2 4.29Å; F51-F160 HydrophobicContact CD1-CB 4.5Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.18Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.04Å; F51-F160 AromaticContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD2 4.32Å; F51-F160 HydrophobicContact CE2-CE1 4.01Å; F51-F160 AromaticContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.67Å; F51-F160 HydrophobicContact CZ-CD1 3.67Å; F51-F160 AromaticContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CE1 4.11Å; F51-F160 HydrophobicContact CZ-CE2 4.03Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 3.95Å; F51-F175 HydrophobicContact CD1-CD2 4.16Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.58Å; F51-F175 HydrophobicContact CD1-CE2 3.58Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.03Å; F51-F175 HydrophobicContact CE1-CZ 4.19Å; F51-F175 HydrophobicContact CG-CE1 4.06Å; F51-F175 HydrophobicContact CG-CE2 4.35Å; F51-F175 AromaticContact CG-CZ 3.82Å; F51-F175 HydrophobicContact CG-CZ 3.82Å; F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.91Å
52H93.7Very high93.8Very high83 Ų8343.4 Ų43.438%0.38424%0.24SC..EExtended strand (participates in β ladder)trans-88.7123.8177-6491.9000109.8F175 V176 E177H52-F175 WeakPolarHBondContact O-CA 3.18Å; H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 WeakPolarHBondContact O-CG2 3.21Å; H52-V176 PolarHBondContact O-N 3.38Å; H52-E177 HydrophobicContact CB-CB 4.36Å; H52-E177 IonicContact CG-OE2 3.26Å; H52-E177 IonicContact ND1-OE2 3.87Å
53T95.2Very high94.4Very high8 Ų840.6 Ų40.65%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-118.6166.9-176.683.20000111.5R55 G56 I58 L173 E174 F175T53-R55 PolarHBondContact O-N 2.67Å; T53-R55 WeakPolarHBondContact OG1-CA 3.4Å; T53-R55 PolarHBondContact OG1-N 3.14Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 WeakPolarHBondContact CG2-O 3.23Å; T53-G56 PolarHBondContact N-O 3.26Å; T53-G56 PolarHBondContact O-N 3.33Å; T53-G56 PolarHBondContact OG1-N 3.28Å; T53-G56 PolarHBondContact OG1-O 2.81Å; T53-I58 HydrophobicContact CG2-CD1 3.84Å; T53-I58 HydrophobicContact CG2-CG1 4.06Å; T53-L173 HydrophobicContact CG2-CD1 4.37Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.3Å; T53-E174 CarbonylContact C-O 3.53Å; T53-E174 WeakPolarHBondContact CA-O 3.05Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; T53-F175 HydrophobicContact CG2-CD1 3.94Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å
54N95.8Very high94.8Very high57 Ų5740 Ų4031%0.30522%0.215SC..THydrogen-bonded Turntrans-66.14.7168.766.2-14.3000114.1N172 L173 E174 V176N54-N172 PolarHBondContact ND2-O 3.06Å; N54-L173 WeakPolarHBondContact OD1-CA 3.35Å; N54-E174 PolarHBondContact N-O 2.93Å; N54-E174 PolarHBondContact OD1-N 2.98Å; N54-E174 PolarHBondContact OD1-O 2.97Å; N54-V176 HydrophobicContact CB-CG1 3.94Å
55R95.2Very high94.8Very high142 Ų14238.2 Ų38.254%0.53620%0.204SC..THydrogen-bonded Turntrans-122.810.8173-58.3-64.4179-93.9-8.2112.9T53 D170T53-R55 PolarHBondContact O-N 2.67Å; T53-R55 WeakPolarHBondContact OG1-CA 3.4Å; T53-R55 PolarHBondContact OG1-N 3.14Å; R55-D170 IonicContact CZ-OD2 3.67Å; R55-D170 IonicContact NE-OD2 3.04Å; R55-D170 PolarHBondContact NE-OD2 2.84Å; R55-D170 IonicContact NH2-OD2 2.68Å; R55-D170 PolarHBondContact NH2-OD2 3Å
56G94Very high94.5Very high40 Ų4034.7 Ų34.741%0.41219%0.188SC..EExtended strand (participates in β ladder)trans102.9-175.7-175.300000113.2T53T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 WeakPolarHBondContact CG2-O 3.23Å; T53-G56 PolarHBondContact N-O 3.26Å; T53-G56 PolarHBondContact O-N 3.33Å; T53-G56 PolarHBondContact OG1-N 3.28Å; T53-G56 PolarHBondContact OG1-O 2.81Å
57A94.3Very high93.6Very high32 Ų3231.8 Ų31.826%0.26417%0.173SC..EExtended strand (participates in β ladder)trans-78.8136.6-177.200000111.9P6 V50 F51P6-A57 HydrophobicContact CB-CB 4.05Å; P6-A57 HydrophobicContact CG-CB 4.02Å; V50-A57 HydrophobicContact CG1-CB 4.04Å; F51-A57 WeakPolarHBondContact O-CA 3.31Å
58I95.7Very high92.7Very high5 Ų534 Ų343%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-117.4128.1172.6-63.2178.3000108.4F10 V50 F51 T53 Y60 A164 I168 L173F10-I58 HydrophobicContact CD2-CG2 3.71Å; F10-I58 HydrophobicContact CE2-CG2 3.76Å; V50-I58 WeakPolarHBondContact CA-O 3.33Å; F51-I58 PolarHBondContact N-O 3.44Å; F51-I58 PolarHBondContact O-N 3.04Å; T53-I58 HydrophobicContact CG2-CD1 3.84Å; T53-I58 HydrophobicContact CG2-CG1 4.06Å; I58-Y60 HydrophobicContact CG2-CD2 4.48Å; I58-Y60 HydrophobicContact CG2-CE2 4.09Å; I58-A164 HydrophobicContact CD1-CB 3.96Å; I58-I168 HydrophobicContact CD1-CD1 3.93Å; I58-I168 HydrophobicContact CD1-CG1 3.67Å; I58-L173 HydrophobicContact CD1-CD1 3.81Å
59K96.2Very high91.5Very high18 Ų1837.8 Ų37.88%0.07820%0.195CC..EExtended strand (participates in β ladder)trans-101.3125174.8-174.3-173.1-66.91760110.5E5 P6 V8 Q9 F10 P48 L49 V50E5-K59 IonicContact OE1-NZ 2.83Å; E5-K59 PolarHBondContact OE1-NZ 3.01Å; P6-K59 HydrophobicContact CB-CB 4.16Å; P6-K59 HydrophobicContact CG-CB 4.23Å; V8-K59 PolarHBondContact O-N 3.04Å; Q9-K59 CarbonylContact C-O 3.59Å; Q9-K59 WeakPolarHBondContact CA-O 3.28Å; Q9-K59 HydrophobicContact CB-CB 4.01Å; Q9-K59 HydrophobicContact CB-CD 4.46Å; F10-K59 PolarHBondContact N-O 2.96Å; P48-K59 HydrophobicContact CB-CD 4.28Å; P48-K59 HydrophobicContact CB-CG 4.45Å; L49-K59 CarbonylContact O-C 3.59Å; L49-K59 WeakPolarHBondContact O-CA 3.46Å; V50-K59 HydrophobicContact CG2-CB 4.35Å; V50-K59 HydrophobicContact CG2-CG 4.19Å
60Y97.7Very high90.2Very high0 Ų046.6 Ų46.60%023%0.233CC..EExtended strand (participates in β ladder)trans-97.5117.6162.8-68-76.7000109.2F10 L12 L49 F51 I58 V62 F160 L163 A164 L167F10-Y60 HydrophobicContact CB-CD1 3.93Å; F10-Y60 HydrophobicContact CB-CE1 4.08Å; F10-Y60 HydrophobicContact CD2-CE1 4.12Å; F10-Y60 HydrophobicContact CG-CE1 4.48Å; F10-Y60 CarbonylContact O-C 3.49Å; F10-Y60 WeakPolarHBondContact O-CA 3.37Å; L12-Y60 HydrophobicContact CB-CD1 4.04Å; L12-Y60 HydrophobicContact CD1-CD1 3.86Å; L12-Y60 HydrophobicContact CD1-CE1 4.27Å; L12-Y60 HydrophobicContact CD1-CG 4.24Å; L49-Y60 PolarHBondContact N-O 2.97Å; L49-Y60 PolarHBondContact O-N 3.49Å; F51-Y60 AromaticContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CE2 4.04Å; F51-Y60 AromaticContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CE2 4.29Å; I58-Y60 HydrophobicContact CG2-CD2 4.48Å; I58-Y60 HydrophobicContact CG2-CE2 4.09Å; Y60-V62 PolarHBondContact O-N 3.4Å; Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CE1 4.28Å; Y60-F160 HydrophobicContact CE2-CB 4.18Å; Y60-F160 AromaticContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CG-CD1 4.14Å; Y60-F160 HydrophobicContact CG-CE1 4.44Å; Y60-F160 PolarHBondContact OH-O 2.98Å; Y60-L163 HydrophobicContact CE1-CB 4.38Å; Y60-L163 WeakPolarHBondContact OH-CB 3.5Å; Y60-A164 WeakPolarHBondContact OH-CA 3.33Å; Y60-A164 WeakPolarHBondContact OH-CB 3.47Å; Y60-A164 PolarHBondContact OH-N 3.04Å; Y60-L167 HydrophobicContact CE1-CD1 3.79Å
61N97.3Very high88.9Confident37 Ų3747.3 Ų47.320%0.19823%0.231CC..EExtended strand (participates in β ladder)trans-8195.5163.7-65.9-51.5000106.5Q9 F10 L12 V46 W63Q9-N61 PolarHBondContact OE1-ND2 2.96Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.14Å; F10-N61 PolarHBondContact O-N 2.83Å; L12-N61 PolarHBondContact N-O 3.27Å; V46-N61 HydrophobicContact CG1-CB 4.35Å; N61-W63 VanDerWaalsContact O-CD1 3.32Å
62V97.5Very high87.3Confident0 Ų047.3 Ų47.30%023%0.232CC..EExtended strand (participates in β ladder)trans-84.6115.2-175.6-178.10000109.9L12 L14 V26 V46 H47 L49 Y60 D64 F160L12-V62 HydrophobicContact CB-CG2 4.32Å; L12-V62 HydrophobicContact CD2-CG1 3.89Å; L12-V62 HydrophobicContact CD2-CG2 4.27Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.37Å; L14-V62 HydrophobicContact CB-CG1 4.11Å; L14-V62 HydrophobicContact CD2-CG1 4.46Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.32Å; V26-V62 HydrophobicContact CG2-CG1 3.64Å; V46-V62 CarbonylContact C-O 3.6Å; V46-V62 WeakPolarHBondContact CA-O 3.46Å; H47-V62 PolarHBondContact N-O 2.89Å; H47-V62 PolarHBondContact O-N 3.26Å; L49-V62 HydrophobicContact CD1-CG2 3.74Å; L49-V62 HydrophobicContact CG-CG2 4.05Å; Y60-V62 PolarHBondContact O-N 3.4Å; V62-D64 PolarHBondContact O-N 3.42Å; V62-F160 HydrophobicContact CG2-CE1 4.16Å
63W96.5Very high85.6Confident65 Ų6547.1 Ų47.125%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-88.893.6173.7-70.650.6000107.7K11 L12 V13 L14 V44 V46 N61 T65 Y78K11-W63 HydrophobicContact CD-CD2 4.47Å; K11-W63 HydrophobicContact CD-CZ2 4.32Å; K11-W63 HydrophobicContact CG-CG 4.48Å; L12-W63 PolarHBondContact O-N 3.43Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; L14-W63 PolarHBondContact N-O 3.09Å; V44-W63 HydrophobicContact CG1-CE3 4.41Å; V44-W63 HydrophobicContact CG2-CB 3.84Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.34Å; V46-W63 HydrophobicContact CG2-CD2 3.91Å; V46-W63 HydrophobicContact CG2-CE3 4.49Å; V46-W63 HydrophobicContact CG2-CG 4.05Å; V46-W63 HydrophobicContact CG2-CZ2 4.33Å; N61-W63 VanDerWaalsContact O-CD1 3.32Å; W63-T65 PolarHBondContact O-N 2.99Å; W63-Y78 HydrophobicContact CE3-CD1 4.15Å; W63-Y78 HydrophobicContact CZ3-CD1 4.03Å
64D94.9Very high84.3Confident0 Ų052.3 Ų52.30%028%0.28CS..EExtended strand (participates in β ladder)trans-75.1107173.2-179.732.7000109.3K22 T23 V26 T41 V44 E45 V62K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.47Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.28Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact OG1-OD2 3.3Å; V26-D64 HydrophobicContact CG2-CB 4.42Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; V44-D64 VanDerWaalsContact CA-O 3.3Å; V44-D64 WeakPolarHBondContact CA-O 3.47Å; V44-D64 WeakPolarHBondContact CG2-O 3.18Å; E45-D64 PolarHBondContact N-O 3.22Å; E45-D64 PolarHBondContact O-N 2.99Å; V62-D64 PolarHBondContact O-N 3.42Å
65T91Very high83.2Confident4 Ų452.1 Ų52.13%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-95.2149.9-173.763.90000112.6L14 V15 K22 V44 W63 G67 Y78L14-T65 PolarHBondContact O-N 3.05Å; L14-T65 PolarHBondContact O-OG1 3.45Å; V15-T65 HydrophobicContact CG1-CG2 4.46Å; K22-T65 WeakPolarHBondContact CE-O 3.36Å; V44-T65 HydrophobicContact CG2-CG2 4.31Å; W63-T65 PolarHBondContact O-N 2.99Å; T65-G67 PolarHBondContact O-N 3.29Å; T65-Y78 HydrophobicContact CG2-CD2 4.37Å; T65-Y78 HydrophobicContact CG2-CG 4.46Å
66A86.6Confident82.4Confident5 Ų548 Ų484%0.04126%0.263CS..  trans-61.3121.5171.200000111.3T41 G43 F71T41-A66 WeakPolarHBondContact O-CB 3.35Å; G43-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 PolarHBondContact O-N 2.94Å; A66-F71 HydrophobicContact CB-CB 3.8Å; A66-F71 WeakPolarHBondContact CB-O 3.37Å
67G75.4Confident82.1Confident10 Ų1047.7 Ų47.710%0.10326%0.26CS..  trans-85.8-5.8178.400000114.9G16 D17 G18 T65G16-G67 WeakPolarHBondContact O-CA 3.39Å; D17-G67 CarbonylContact C-O 3.57Å; G18-G67 VanDerWaalsContact N-C 3.33Å; G18-G67 PolarHBondContact N-O 2.92Å; T65-G67 PolarHBondContact O-N 3.29Å
68Q75.3Confident81.9Confident69 Ų6947.6 Ų47.632%0.32225%0.253SS..SBendtrans-99.3134.9176.6-57.8-161.51.600109.9Y38 K70 F71 G72Y38-Q68 PolarHBondContact OH-NE2 3.27Å; Q68-K70 PolarHBondContact O-N 3.05Å; Q68-F71 HydrophobicContact CB-CD2 3.71Å; Q68-F71 HydrophobicContact CB-CE2 4.3Å; Q68-F71 HydrophobicContact CG-CD2 4.17Å; Q68-F71 HydrophobicContact CG-CE2 4.48Å; Q68-F71 CarbonylContact O-C 3.58Å; Q68-F71 PolarHBondContact O-N 3.02Å; Q68-F71 VanDerWaalsContact OE1-CE2 3.24Å; Q68-G72 PolarHBondContact O-N 2.82Å; Q68-G72 VanDerWaalsContact O-N 3.15Å
69E68.2Low81.8Confident148 Ų14847.4 Ų47.469%0.69225%0.253SS*.G310 helixtrans-56.7-40.5-177.1-42.2-139106.700112.6F71 G72 R75E69-F71 PolarHBondContact O-N 3.18Å; E69-F71 VanDerWaalsContact O-N 3.1Å; E69-G72 PolarHBondContact O-N 2.73Å; E69-R75 VanDerWaalsContact CA-NH2 3.26Å; E69-R75 VanDerWaalsContact CG-NH2 3.25Å; E69-R75 IonicContact OE1-CZ 3.5Å; E69-R75 IonicContact OE1-NH1 2.86Å; E69-R75 PolarHBondContact OE1-NH1 3.39Å; E69-R75 IonicContact OE1-NH2 2.65Å; E69-R75 PolarHBondContact OE1-NH2 2.8Å
70K67.6Low81.7Confident191 Ų19151 Ų5183%0.8327%0.272SS*.G310 helixtrans-60.7-21.7178.6-60.8-175.8-179-178.50113.7Q68Q68-K70 PolarHBondContact O-N 3.05Å
71F66.3Low81.7Confident75 Ų7558.7 Ų58.733%0.32931%0.308SS..G310 helixtrans-110.91.9-179.5-55.6-48000112.6A40 L42 G43 A66 Q68 E69 G73A40-F71 HydrophobicContact CB-CD2 4.03Å; A40-F71 HydrophobicContact CB-CE2 3.9Å; L42-F71 HydrophobicContact CD2-CD1 3.72Å; L42-F71 HydrophobicContact CD2-CE1 4.02Å; L42-F71 HydrophobicContact CD2-CG 4.06Å; G43-F71 PolarHBondContact N-O 3.16Å; A66-F71 HydrophobicContact CB-CB 3.8Å; A66-F71 WeakPolarHBondContact CB-O 3.37Å; Q68-F71 HydrophobicContact CB-CD2 3.71Å; Q68-F71 HydrophobicContact CB-CE2 4.3Å; Q68-F71 HydrophobicContact CG-CD2 4.17Å; Q68-F71 HydrophobicContact CG-CE2 4.48Å; Q68-F71 CarbonylContact O-C 3.58Å; Q68-F71 PolarHBondContact O-N 3.02Å; Q68-F71 VanDerWaalsContact OE1-CE2 3.24Å; E69-F71 PolarHBondContact O-N 3.18Å; E69-F71 VanDerWaalsContact O-N 3.1Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.04Å
72G57.9Low81.7Confident4 Ų457.3 Ų57.34%0.04130%0.301CS..  trans-83.63.2-172.200000115.6Q68 E69 L74 R75Q68-G72 PolarHBondContact O-N 2.82Å; Q68-G72 VanDerWaalsContact O-N 3.15Å; E69-G72 PolarHBondContact O-N 2.73Å; G72-L74 PolarHBondContact O-N 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.42Å; G72-R75 PolarHBondContact O-N 3.24Å
73G59.5Low81.7Confident79 Ų7961.1 Ų61.181%0.81432%0.319SS*.THydrogen-bonded Turntrans-7.2-65.7-170.500000118.6F71F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.04Å
74L67.1Low81.8Confident117 Ų11758 Ų5861%0.61331%0.307SS*.THydrogen-bonded Turntrans-87.3-11.4-174.5-68.6170.8000115.6G72 D76 G77 Y78G72-L74 PolarHBondContact O-N 3.32Å; L74-D76 CarbonylContact O-C 3.59Å; L74-D76 PolarHBondContact O-N 2.97Å; L74-G77 PolarHBondContact O-N 3.06Å; L74-Y78 HydrophobicContact CB-CD2 4.37Å; L74-Y78 HydrophobicContact CB-CE1 4.1Å; L74-Y78 HydrophobicContact CB-CE2 3.92Å; L74-Y78 HydrophobicContact CD1-CE1 3.98Å
75R73.3Confident82Confident53 Ų5358 Ų5820%0.231%0.307CS..THydrogen-bonded Turntrans12-81.3-167.6-70.9-163.4169.5164.3-5.6114.5E69 G72 G77 Y78E69-R75 VanDerWaalsContact CA-NH2 3.26Å; E69-R75 VanDerWaalsContact CG-NH2 3.25Å; E69-R75 IonicContact OE1-CZ 3.5Å; E69-R75 IonicContact OE1-NH1 2.86Å; E69-R75 PolarHBondContact OE1-NH1 3.39Å; E69-R75 IonicContact OE1-NH2 2.65Å; E69-R75 PolarHBondContact OE1-NH2 2.8Å; G72-R75 WeakPolarHBondContact O-CG 3.42Å; G72-R75 PolarHBondContact O-N 3.24Å; R75-G77 PolarHBondContact O-N 3.05Å; R75-Y78 WeakPolarHBondContact O-CB 3.49Å; R75-Y78 PolarHBondContact O-N 3Å
76D78.6Confident82.4Confident55 Ų5557.8 Ų57.829%0.29431%0.306SS..Hα-helixtrans-50.8-38.8179.6-61.96.6000113.6L74 Y78 Y79 I80 R109 V110L74-D76 CarbonylContact O-C 3.59Å; L74-D76 PolarHBondContact O-N 2.97Å; D76-Y78 PolarHBondContact O-N 3.14Å; D76-Y79 WeakPolarHBondContact O-CB 3.35Å; D76-Y79 PolarHBondContact O-N 2.78Å; D76-I80 PolarHBondContact O-N 3Å; D76-R109 IonicContact OD2-CZ 3.2Å; D76-R109 IonicContact OD2-NH1 2.79Å; D76-R109 PolarHBondContact OD2-NH1 2.66Å; D76-V110 HydrophobicContact CB-CG2 3.93Å
77G87.5Confident82.9Confident34 Ų3457.6 Ų57.635%0.35130%0.304SS..Hα-helixtrans-61.9-29.1177.300000113.6L74 R75 Y79L74-G77 PolarHBondContact O-N 3.06Å; R75-G77 PolarHBondContact O-N 3.05Å; G77-Y79 VanDerWaalsContact C-N 3.29Å
78Y90.7Very high84Confident30 Ų3057.1 Ų57.112%0.11830%0.299CS..Hα-helixtrans-72.4-25.6174.2-59-48.1000112.1K11 G43 V44 W63 T65 L74 R75 D76K11-Y78 WeakPolarHBondContact CE-O 3.27Å; K11-Y78 PolarHBondContact NZ-O 2.85Å; G43-Y78 VanDerWaalsContact CA-OH 3.24Å; G43-Y78 WeakPolarHBondContact CA-OH 3.47Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.49Å; V44-Y78 HydrophobicContact CB-CG 4.35Å; V44-Y78 HydrophobicContact CG1-CD1 3.64Å; V44-Y78 HydrophobicContact CG1-CE1 3.27Å; V44-Y78 HydrophobicContact CG2-CD1 4.43Å; W63-Y78 HydrophobicContact CE3-CD1 4.15Å; W63-Y78 HydrophobicContact CZ3-CD1 4.03Å; T65-Y78 HydrophobicContact CG2-CD2 4.37Å; T65-Y78 HydrophobicContact CG2-CG 4.46Å; L74-Y78 HydrophobicContact CB-CD2 4.37Å; L74-Y78 HydrophobicContact CB-CE1 4.1Å; L74-Y78 HydrophobicContact CB-CE2 3.92Å; L74-Y78 HydrophobicContact CD1-CE1 3.98Å; R75-Y78 WeakPolarHBondContact O-CB 3.49Å; R75-Y78 PolarHBondContact O-N 3Å; D76-Y78 PolarHBondContact O-N 3.14Å
79Y93.5Very high85.1Confident2 Ų253.9 Ų53.91%0.00828%0.284CS..Hα-helixtrans-79.3-28.6-177.8-54.2-26.5000113V13 V15 D76 G77 Q81 A82 D106 L107 V110 C111V13-Y79 HydrophobicContact CB-CD1 4.45Å; V13-Y79 HydrophobicContact CG1-CD1 4.46Å; V13-Y79 HydrophobicContact CG2-CD1 4.39Å; V15-Y79 HydrophobicContact CG1-CD1 4.43Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; D76-Y79 WeakPolarHBondContact O-CB 3.35Å; D76-Y79 PolarHBondContact O-N 2.78Å; G77-Y79 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.84Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 3.46Å; Y79-D106 HydrophobicContact CE2-CB 4.16Å; Y79-L107 HydrophobicContact CD1-CD1 4.03Å; Y79-L107 HydrophobicContact CD2-CD1 4.48Å; Y79-L107 HydrophobicContact CG-CD1 4.02Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.02Å; Y79-C111 PolarHBondContact O-SG 2.79Å
80I94.1Very high86.5Confident93 Ų9347.3 Ų47.348%0.47725%0.253SS..THydrogen-bonded Turntrans-44.4125.2-176.6-64.8174000111.4K11 D76 A82 V110K11-I80 PolarHBondContact NZ-O 2.84Å; D76-I80 PolarHBondContact O-N 3Å; I80-A82 PolarHBondContact O-N 3.43Å; I80-V110 HydrophobicContact CG1-CG1 4.02Å
81Q95.7Very high88Confident162 Ų16238.2 Ų38.276%0.75721%0.214SC*.THydrogen-bonded Turntrans61.120.9-179.2-60.4171.6-14.100115.2Y79 Q83Y79-Q81 PolarHBondContact O-N 2.84Å; Q81-Q83 PolarHBondContact O-N 2.82Å
82A97.7Very high89.5Confident7 Ų736.5 Ų36.56%0.05821%0.21CC..  trans-58.1137165.600000109.3V13 Y79 I80 I114V13-A82 HydrophobicContact CB-CB 4.41Å; V13-A82 HydrophobicContact CG1-CB 3.71Å; V13-A82 HydrophobicContact CG2-CB 3.82Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 3.46Å; I80-A82 PolarHBondContact O-N 3.43Å; A82-I114 HydrophobicContact CB-CD1 4.14Å; A82-I114 WeakPolarHBondContact O-CG2 3.46Å
83Q98.4Very high91.4Very high80 Ų8038 Ų3837%0.37422%0.22SC..SBendtrans-102.3-21.6177-69.6158-74.400110.8F10 K11 Q81 P115 L167F10-Q83 VanDerWaalsContact CA-OE1 3.26Å; F10-Q83 HydrophobicContact CB-CB 4.39Å; F10-Q83 HydrophobicContact CD1-CB 4.18Å; K11-Q83 PolarHBondContact O-N 3.12Å; Q81-Q83 PolarHBondContact O-N 2.82Å; Q83-P115 VanDerWaalsContact O-CD 3.3Å; Q83-P115 WeakPolarHBondContact O-CD 3.41Å; Q83-L167 HydrophobicContact CB-CD2 4.31Å; Q83-L167 WeakPolarHBondContact O-CD2 3.34Å
84C98.7Very high93.2Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-154166.3174.455.90000110.8K11 L12 V13 P115 L163 L167K11-C84 PolarHBondContact O-N 2.93Å; L12-C84 WeakPolarHBondContact CA-O 3.48Å; L12-C84 VanDerWaalsContact CB-SG 3.56Å; V13-C84 PolarHBondContact N-O 2.95Å; C84-P115 VanDerWaalsContact CA-O 3.31Å; C84-P115 WeakPolarHBondContact CA-O 3.11Å; C84-P115 HydrophobicContact CB-CG 4.02Å; C84-L163 HydrophobicContact CB-CD1 4.13Å; C84-L163 HydrophobicContact CB-CD2 3.71Å; C84-L163 HydrophobicContact CB-CG 4.38Å; C84-L167 HydrophobicContact CB-CD1 3.97Å; C84-L167 HydrophobicContact CB-CD2 4.4Å
85A98.5Very high94.7Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-143.9157.3175.100000113.8V13 L107 I114 P115 I116 V117V13-A85 HydrophobicContact CG2-CB 3.55Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 VanDerWaalsContact O-CA 3.23Å; V13-A85 WeakPolarHBondContact O-CA 3.12Å; V13-A85 WeakPolarHBondContact O-CB 3.44Å; A85-L107 HydrophobicContact CB-CD1 4.28Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.46Å; A85-I114 HydrophobicContact CB-CD1 4.1Å; A85-P115 PolarHBondContact N-O 2.86Å; A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.4Å; A85-I116 WeakPolarHBondContact O-CA 3.42Å; A85-V117 PolarHBondContact O-N 3.38Å
86I98.7Very high95.8Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-119.9125.7163.5-63.8174.7000107.7L12 V13 L14 V15 F25 V117 C119 P159 F160 L163L12-I86 HydrophobicContact CD1-CD1 4.09Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.22Å; L12-I86 HydrophobicContact CD2-CG1 4.21Å; V13-I86 PolarHBondContact O-N 3.36Å; L14-I86 WeakPolarHBondContact CA-O 3.38Å; L14-I86 HydrophobicContact CD1-CB 3.67Å; L14-I86 HydrophobicContact CD1-CG2 3.58Å; V15-I86 PolarHBondContact N-O 3.04Å; F25-I86 HydrophobicContact CE1-CD1 4.09Å; I86-V117 CarbonylContact C-O 3.59Å; I86-V117 VanDerWaalsContact CA-O 3.31Å; I86-V117 WeakPolarHBondContact CA-O 3.39Å; I86-V117 HydrophobicContact CG1-CB 4.39Å; I86-C119 HydrophobicContact CG2-CB 4.23Å; I86-P159 HydrophobicContact CD1-CB 3.8Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; I86-F160 HydrophobicContact CD1-CZ 4.4Å; I86-L163 HydrophobicContact CD1-CD1 4.36Å; I86-L163 HydrophobicContact CG1-CD1 3.99Å
87I98.1Very high96.8Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-101.3120.9168.8-51.9-178.8000107.2V15 V100 W103 H104 L107 I116 V117 L118 C119V15-I87 HydrophobicContact CG2-CB 4.21Å; V15-I87 HydrophobicContact CG2-CG1 3.7Å; V15-I87 HydrophobicContact CG2-CG2 4.28Å; V15-I87 WeakPolarHBondContact O-CA 3.3Å; I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; I87-H104 HydrophobicContact CD1-CB 3.77Å; I87-L107 HydrophobicContact CD1-CD2 4.42Å; I87-I116 HydrophobicContact CD1-CG2 3.89Å; I87-I116 HydrophobicContact CG1-CG2 3.84Å; I87-V117 PolarHBondContact N-O 3.48Å; I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.14Å; I87-L118 CarbonylContact O-C 3.5Å; I87-L118 WeakPolarHBondContact O-CA 3.31Å; I87-C119 PolarHBondContact O-N 3.01Å
88M98.5Very high97.2Very high1 Ų141.7 Ų41.71%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-111.6132-177-171.3176.3-66.200111.7L14 V15 G16 K22 F25 C119 N121 I148L14-M88 HydrophobicContact CD1-CB 4.42Å; L14-M88 HydrophobicContact CD1-CE 4.21Å; V15-M88 PolarHBondContact O-N 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.44Å; K22-M88 HydrophobicContact CG-CB 4.07Å; K22-M88 HydrophobicContact CG-SD 4.1Å; F25-M88 HydrophobicContact CB-CE 3.75Å; F25-M88 HydrophobicContact CD1-CE 3.96Å; F25-M88 HydrophobicContact CD2-CE 4.15Å; F25-M88 HydrophobicContact CG-CE 3.7Å; M88-C119 WeakPolarHBondContact CA-O 3.45Å; M88-N121 HydrophobicContact CG-CB 4.01Å; M88-N121 HydrophobicContact SD-CB 3.91Å; M88-I148 HydrophobicContact CE-CD1 3.81Å
89F98.6Very high97.5Very high0 Ų042.4 Ų42.40%021%0.205CC..EExtended strand (participates in β ladder)trans-124.1170166.572.7-86.5000110.7V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145F89-V91 HydrophobicContact CE2-CG1 3.93Å; F89-Y97 AromaticContact CD1-CD2 3.88Å; F89-Y97 HydrophobicContact CD1-CD2 3.88Å; F89-Y97 AromaticContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CE2 4.06Å; F89-Y97 AromaticContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CE2 4.15Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.08Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.21Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; F89-C119 WeakPolarHBondContact CD1-O 3.28Å; F89-C119 PolarHBondContact N-O 3.41Å; F89-G120 VanDerWaalsContact CZ-CA 3.47Å; F89-N121 PolarHBondContact O-N 3.4Å; F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.87Å; F89-V130 HydrophobicContact CZ-CG1 4.49Å; F89-I135 HydrophobicContact CE2-CD1 4.48Å; F89-I135 HydrophobicContact CZ-CD1 3.94Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.48Å; F89-Y145 AromaticContact CE1-CE2 3.68Å; F89-Y145 HydrophobicContact CE1-CE2 3.68Å; F89-Y145 AromaticContact CZ-CE2 3.78Å; F89-Y145 HydrophobicContact CZ-CE2 3.78Å
90D98.3Very high97.6Very high10 Ų1042.3 Ų42.35%0.05321%0.205CC..EExtended strand (participates in β ladder)trans-106.4120178.9179.7-14.1000109.6T20 T92 S93 T96 K122T20-D90 HydrophobicContact CG2-CB 4.34Å; D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.49Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 2.87Å; D90-T92 PolarHBondContact OD1-OG1 2.87Å; D90-T92 PolarHBondContact OD2-OG1 2.99Å; D90-S93 PolarHBondContact O-N 2.97Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 2.97Å; D90-T96 PolarHBondContact O-OG1 2.78Å; D90-K122 WeakPolarHBondContact OD2-CD 3.43Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.48Å; D90-K122 IonicContact OD2-NZ 2.7Å; D90-K122 PolarHBondContact OD2-NZ 2.89Å
91V98.4Very high97.8Very high0 Ų040.4 Ų40.40%020%0.199CC..THydrogen-bonded Turntrans-65.7-14.1-178.3-55.70000113.4F89 N121 V123 R128 K129 V130F89-V91 HydrophobicContact CE2-CG1 3.93Å; V91-N121 WeakPolarHBondContact CG2-O 3.1Å; V91-N121 PolarHBondContact N-O 3.34Å; V91-V123 HydrophobicContact CG1-CG1 4.01Å; V91-V123 HydrophobicContact CG2-CG1 4.12Å; V91-R128 HydrophobicContact CB-CG 4.09Å; V91-R128 HydrophobicContact CG2-CG 4.08Å; V91-K129 PolarHBondContact O-N 3.45Å; V91-V130 PolarHBondContact O-N 3.19Å
92T98Very high97.7Very high39 Ų3935.7 Ų35.724%0.23918%0.179CC..THydrogen-bonded Turntrans-88.6-9.7175.273.50000113D90 I125 K129D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.49Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 2.87Å; D90-T92 PolarHBondContact OD1-OG1 2.87Å; D90-T92 PolarHBondContact OD2-OG1 2.99Å; T92-I125 HydrophobicContact CG2-CB 3.73Å; T92-I125 HydrophobicContact CG2-CD1 3.83Å; T92-I125 HydrophobicContact CG2-CG1 4.33Å; T92-I125 HydrophobicContact CG2-CG2 3.75Å; T92-K129 WeakPolarHBondContact O-CG 3.31Å
93S97.8Very high97.6Very high36 Ų3636 Ų3625%0.25218%0.178SC..  trans-129.2100.5-174.8-174.20000111.9D90 V95 T96D90-S93 PolarHBondContact O-N 2.97Å; S93-V95 PolarHBondContact O-N 2.99Å; S93-V95 VanDerWaalsContact OG-CG1 3.29Å; S93-V95 WeakPolarHBondContact OG-CG1 3.4Å; S93-T96 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-OG1 2.74Å
94R97.6Very high97.4Very high174 Ų17433.1 Ų33.166%0.65717%0.165SC*.Hα-helixtrans-56.1-35.3-177.6-65.7-177.6-178.3147.6-1.2113.5T96 Y97 K98 K129 V130R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.04Å; R94-Y97 PolarHBondContact O-N 3.16Å; R94-K98 PolarHBondContact O-N 3.18Å; R94-K129 HydrophobicContact CG-CB 3.95Å; R94-V130 HydrophobicContact CB-CG2 4.49Å; R94-V130 HydrophobicContact CG-CG2 4.16Å
95V97.1Very high97.2Very high81 Ų8139.5 Ų39.549%0.49119%0.189SC..Hα-helixtrans-61-37.4179.561.40000111.6S93 Y97 K98 N99S93-V95 PolarHBondContact O-N 2.99Å; S93-V95 VanDerWaalsContact OG-CG1 3.29Å; S93-V95 WeakPolarHBondContact OG-CG1 3.4Å; V95-Y97 VanDerWaalsContact C-N 3.28Å; V95-Y97 PolarHBondContact O-N 2.95Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.16Å; V95-N99 PolarHBondContact O-N 3.03Å; V95-N99 PolarHBondContact O-ND2 3.23Å
96T97.9Very high96.9Very high9 Ų940.6 Ų40.66%0.05520%0.195CC..Hα-helixtrans-66.6-32.6179.668.90000112.2D17 T20 D90 S93 R94D17-T96 HydrophobicContact CB-CG2 3.84Å; D17-T96 WeakPolarHBondContact OD2-CA 3.36Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 2.97Å; D90-T96 PolarHBondContact O-OG1 2.78Å; S93-T96 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-OG1 2.74Å; R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.04Å
97Y98.2Very high96.7Very high33 Ų3340.6 Ų40.613%0.12920%0.195CC..Hα-helixtrans-73.4-41.7172.4-173.9-109000111.8F89 R94 V95 N99 V100 L118 V130 S134 I135 V136 F137F89-Y97 AromaticContact CD1-CD2 3.88Å; F89-Y97 HydrophobicContact CD1-CD2 3.88Å; F89-Y97 AromaticContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CE2 4.06Å; F89-Y97 AromaticContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CE2 4.15Å; R94-Y97 PolarHBondContact O-N 3.16Å; V95-Y97 VanDerWaalsContact C-N 3.28Å; V95-Y97 PolarHBondContact O-N 2.95Å; Y97-N99 PolarHBondContact O-N 2.79Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 WeakPolarHBondContact O-CG2 3.28Å; Y97-V100 PolarHBondContact O-N 3.35Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.85Å; Y97-S134 VanDerWaalsContact CE1-O 3.28Å; Y97-S134 WeakPolarHBondContact CE1-O 3.29Å; Y97-I135 HydrophobicContact CE2-CB 4.38Å; Y97-I135 HydrophobicContact CE2-CG1 4.2Å; Y97-I135 HydrophobicContact CE2-CG2 3.94Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; Y97-V136 PolarHBondContact OH-N 2.99Å; Y97-F137 VanDerWaalsContact OH-CB 3.31Å; Y97-F137 WeakPolarHBondContact OH-CB 3.32Å; Y97-F137 PolarHBondContact OH-N 2.84Å
98K96.9Very high96.6Very high118 Ų11842.8 Ų42.851%0.51321%0.208SC..Hα-helixtrans-58-29.4175.4-173.4173.9-178.6172.80112.5R94 V95 P101 L215R94-K98 PolarHBondContact O-N 3.18Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.16Å; K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.31Å; K98-L215 WeakPolarHBondContact CE-OXT 2.73Å
99N96.3Very high96.4Very high45 Ų4551.4 Ų51.424%0.24124%0.241CC..THydrogen-bonded Turntrans-85.1-9.9178.6-71.3-23.7000114.4D17 V95 Y97 P101 N102 W103D17-N99 WeakPolarHBondContact OD1-CB 3.35Å; D17-N99 PolarHBondContact OD2-ND2 3.29Å; V95-N99 PolarHBondContact O-N 3.03Å; V95-N99 PolarHBondContact O-ND2 3.23Å; Y97-N99 PolarHBondContact O-N 2.79Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; N99-N102 WeakPolarHBondContact O-CB 3.41Å; N99-N102 PolarHBondContact O-N 2.96Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å
100V97.2Very high96.2Very high1 Ų153.7 Ų53.71%0.00626%0.255CS..Hα-helixtrans-53.3-44.5177.9168.50000112.9I87 F89 Y97 N102 W103 H104 L118 F137I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.08Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 WeakPolarHBondContact O-CG2 3.28Å; Y97-V100 PolarHBondContact O-N 3.35Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.04Å; V100-W103 PolarHBondContact O-N 2.84Å; V100-H104 WeakPolarHBondContact O-CB 3.32Å; V100-H104 PolarHBondContact O-N 2.94Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.63Å; V100-L118 HydrophobicContact CG1-CD2 4.43Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.14Å
101P96.4Very high96Very high53 Ų5353.7 Ų53.734%0.34426%0.255SS..Hα-helixtrans-56.6-36.2175.4-25.334.5000114.1K98 N99 R105 F137K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.31Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.4Å; P101-R105 PolarHBondContact O-N 3.2Å; P101-F137 HydrophobicContact CB-CD2 4.33Å; P101-F137 HydrophobicContact CB-CE2 3.7Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.79Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å
102N94.2Very high95.8Very high63 Ų6361 Ų6134%0.33729%0.289SS..Hα-helixtrans-67.2-50.5177.9-66.3-39.5000110.9N99 V100 H104 R105 D106N99-N102 WeakPolarHBondContact O-CB 3.41Å; N99-N102 PolarHBondContact O-N 2.96Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.04Å; N102-H104 VanDerWaalsContact C-N 3.29Å; N102-H104 PolarHBondContact O-N 3.18Å; N102-R105 PolarHBondContact O-N 2.94Å; N102-R105 PolarHBondContact OD1-NH1 2.79Å; N102-R105 PolarHBondContact OD1-NH2 2.86Å; N102-D106 PolarHBondContact O-N 3.22Å
103W95.3Very high95.5Very high13 Ų1366.6 Ų66.65%0.04932%0.318CS..Hα-helixtrans-58.6-41.5176.3-71.1107.7000112.4V15 G16 D17 I87 N99 V100 L107V15-W103 HydrophobicContact CB-CD2 4.41Å; V15-W103 HydrophobicContact CB-CE3 3.82Å; V15-W103 HydrophobicContact CB-CZ3 4.26Å; V15-W103 HydrophobicContact CG1-CE3 4.47Å; V15-W103 HydrophobicContact CG2-CB 4.31Å; V15-W103 HydrophobicContact CG2-CE3 4.43Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.46Å; D17-W103 PolarHBondContact OD1-NE1 2.88Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å; V100-W103 PolarHBondContact O-N 2.84Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 PolarHBondContact O-N 2.89Å
104H95.7Very high95.5Very high20 Ų2066.2 Ų66.29%0.09331%0.313CS..Hα-helixtrans-64-48.6176.1175.8-81.4000111.7I87 V100 N102 D106 L107 V108 F137I87-H104 HydrophobicContact CD1-CB 3.77Å; V100-H104 WeakPolarHBondContact O-CB 3.32Å; V100-H104 PolarHBondContact O-N 2.94Å; N102-H104 VanDerWaalsContact C-N 3.29Å; N102-H104 PolarHBondContact O-N 3.18Å; H104-D106 VanDerWaalsContact C-N 3.32Å; H104-D106 PolarHBondContact O-N 3.18Å; H104-L107 PolarHBondContact O-N 3.13Å; H104-V108 WeakPolarHBondContact O-CG1 3.48Å; H104-V108 WeakPolarHBondContact O-CG2 3.05Å; H104-V108 PolarHBondContact O-N 2.95Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.91Å
105R93.9Very high95.5Very high133 Ų13359.3 Ų59.350%0.50229%0.29SS..Hα-helixtrans-55.7-48.3178.7178.2-166.163.9-134.9-9.1111.1P101 N102 L107 R109P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.4Å; P101-R105 PolarHBondContact O-N 3.2Å; N102-R105 PolarHBondContact O-N 2.94Å; N102-R105 PolarHBondContact OD1-NH1 2.79Å; N102-R105 PolarHBondContact OD1-NH2 2.86Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-R109 WeakPolarHBondContact O-CB 3.42Å; R105-R109 PolarHBondContact O-N 2.98Å; R105-R109 VanDerWaalsContact O-N 3.1Å
106D92.8Very high95.6Very high24 Ų2455.8 Ų55.813%0.12827%0.269CS..Hα-helixtrans-67.9-37.6-176.6-59.9-8.2000110.8Y79 N102 H104Y79-D106 HydrophobicContact CE2-CB 4.16Å; N102-D106 PolarHBondContact O-N 3.22Å; H104-D106 VanDerWaalsContact C-N 3.32Å; H104-D106 PolarHBondContact O-N 3.18Å
107L94.3Very high95.7Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-63.7-52.8174.9177.867.4000112.5V13 Y79 A85 I87 W103 H104 R105 R109 V110 C111 I114 I116V13-L107 HydrophobicContact CG2-CD1 3.48Å; V13-L107 VanDerWaalsContact CG2-CD1 3.48Å; Y79-L107 HydrophobicContact CD1-CD1 4.03Å; Y79-L107 HydrophobicContact CD2-CD1 4.48Å; Y79-L107 HydrophobicContact CG-CD1 4.02Å; A85-L107 HydrophobicContact CB-CD1 4.28Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.46Å; I87-L107 HydrophobicContact CD1-CD2 4.42Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 PolarHBondContact O-N 2.89Å; H104-L107 PolarHBondContact O-N 3.13Å; R105-L107 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.49Å; L107-V110 PolarHBondContact O-N 2.48Å; L107-V110 VanDerWaalsContact O-N 3.09Å; L107-C111 PolarHBondContact O-N 2.84Å; L107-I114 HydrophobicContact CD1-CD1 4.19Å; L107-I114 HydrophobicContact CD2-CD1 4.38Å; L107-I114 HydrophobicContact CG-CD1 4.37Å; L107-I116 HydrophobicContact CD2-CD1 3.66Å; L107-I116 HydrophobicContact CD2-CG1 4Å
108V95Very high95.7Very high46 Ų4653.8 Ų53.828%0.27926%0.26SS..Hα-helixtrans-71.9-19.3-175.3-58.40000113.1H104 V110 I116H104-V108 WeakPolarHBondContact O-CG1 3.48Å; H104-V108 WeakPolarHBondContact O-CG2 3.05Å; H104-V108 PolarHBondContact O-N 2.95Å; V108-V110 PolarHBondContact O-N 3.03Å; V108-I116 HydrophobicContact CG1-CD1 4Å
109R93.8Very high95.8Very high181 Ų18148.1 Ų48.168%0.68324%0.235SC*.Hα-helixtrans-63.2-30.1169.9179.1-178.9170.1-145.7-5.4112.3D76 R105 L107D76-R109 IonicContact OD2-CZ 3.2Å; D76-R109 IonicContact OD2-NH1 2.79Å; D76-R109 PolarHBondContact OD2-NH1 2.66Å; R105-R109 WeakPolarHBondContact O-CB 3.42Å; R105-R109 PolarHBondContact O-N 2.98Å; R105-R109 VanDerWaalsContact O-N 3.1Å; L107-R109 PolarHBondContact O-N 3.49Å
110V95.3Very high95.9Very high49 Ų4946 Ų4630%0.29722%0.224SC..Hα-helixtrans-99.7-38.5179.8-176.50000111.7D76 Y79 I80 L107 V108D76-V110 HydrophobicContact CB-CG2 3.93Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.02Å; I80-V110 HydrophobicContact CG1-CG1 4.02Å; L107-V110 PolarHBondContact O-N 2.48Å; L107-V110 VanDerWaalsContact O-N 3.09Å; V108-V110 PolarHBondContact O-N 3.03Å
111C94.9Very high95.9Very high10 Ų1046.1 Ų46.17%0.06823%0.225CC..SBendtrans-125.192.1-177.7-67.30000110.7Y79 L107 I114Y79-C111 PolarHBondContact O-SG 2.79Å; L107-C111 PolarHBondContact O-N 2.84Å; C111-I114 HydrophobicContact CB-CD1 3.79Å; C111-I114 HydrophobicContact CB-CG1 4.14Å; C111-I114 HydrophobicContact CB-CG2 3.97Å
112E92.6Very high96Very high152 Ų15246.2 Ų46.271%0.7122%0.219SC*.THydrogen-bonded Turntrans-68.5139.4174.6-62.1-177-176.700110.8I114E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.43Å
113N92.5Very high96.1Very high158 Ų15843.2 Ų43.285%0.84520%0.203SC*.THydrogen-bonded Turntrans61.122.4168.8-54.9-51000117.4
114I97.6Very high96.1Very high27 Ų2744.1 Ų44.114%0.13821%0.21CC..  trans-76.8148171.162.8168.8000111.4A82 A85 L107 C111 E112 I116A82-I114 HydrophobicContact CB-CD1 4.14Å; A82-I114 WeakPolarHBondContact O-CG2 3.46Å; A85-I114 HydrophobicContact CB-CD1 4.1Å; L107-I114 HydrophobicContact CD1-CD1 4.19Å; L107-I114 HydrophobicContact CD2-CD1 4.38Å; L107-I114 HydrophobicContact CG-CD1 4.37Å; C111-I114 HydrophobicContact CB-CD1 3.79Å; C111-I114 HydrophobicContact CB-CG1 4.14Å; C111-I114 HydrophobicContact CB-CG2 3.97Å; E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.43Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 3.98Å; I114-I116 WeakPolarHBondContact O-CG1 3.41Å; I114-I116 PolarHBondContact O-N 3.16Å
115P98.4Very high96Very high29 Ų2946.5 Ų46.519%0.18822%0.222CC..  trans-64.3127.8170.125.4-34.5000111Q83 C84 A85 W162 L163 K166 L167Q83-P115 VanDerWaalsContact O-CD 3.3Å; Q83-P115 WeakPolarHBondContact O-CD 3.41Å; C84-P115 VanDerWaalsContact CA-O 3.31Å; C84-P115 WeakPolarHBondContact CA-O 3.11Å; C84-P115 HydrophobicContact CB-CG 4.02Å; A85-P115 PolarHBondContact N-O 2.86Å; P115-W162 HydrophobicContact CB-CH2 4.29Å; P115-W162 HydrophobicContact CB-CZ3 3.8Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 HydrophobicContact CG-CD2 4.21Å; P115-L163 WeakPolarHBondContact O-CD2 3.24Å; P115-K166 HydrophobicContact CB-CB 3.9Å; P115-K166 HydrophobicContact CB-CG 4.38Å; P115-K166 HydrophobicContact CG-CB 4.3Å; P115-L167 HydrophobicContact CG-CD2 3.75Å; P115-L167 HydrophobicContact CG-CG 4.02Å
116I98.6Very high95.8Very high7 Ų748.5 Ų48.54%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-126.8133.2-177.8-57.4165.3000109.5A85 I87 L107 V108 I114 L143 Q144A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.4Å; A85-I116 WeakPolarHBondContact O-CA 3.42Å; I87-I116 HydrophobicContact CD1-CG2 3.89Å; I87-I116 HydrophobicContact CG1-CG2 3.84Å; L107-I116 HydrophobicContact CD2-CD1 3.66Å; L107-I116 HydrophobicContact CD2-CG1 4Å; V108-I116 HydrophobicContact CG1-CD1 4Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 3.98Å; I114-I116 WeakPolarHBondContact O-CG1 3.41Å; I114-I116 PolarHBondContact O-N 3.16Å; I116-L143 HydrophobicContact CB-CD2 3.77Å; I116-L143 HydrophobicContact CD1-CD2 4.3Å; I116-L143 HydrophobicContact CG2-CD1 4.2Å; I116-L143 HydrophobicContact CG2-CD2 4.16Å; I116-Q144 PolarHBondContact O-N 3.33Å
117V98.7Very high95.9Very high0 Ų052 Ų520%025%0.253CS..EExtended strand (participates in β ladder)trans-108.7129.6171.1-1760000109.7A85 I86 I87 Q144 Y146 P159 W162 L163A85-V117 PolarHBondContact O-N 3.38Å; I86-V117 CarbonylContact C-O 3.59Å; I86-V117 VanDerWaalsContact CA-O 3.31Å; I86-V117 WeakPolarHBondContact CA-O 3.39Å; I86-V117 HydrophobicContact CG1-CB 4.39Å; I87-V117 PolarHBondContact N-O 3.48Å; V117-Q144 CarbonylContact C-O 3.6Å; V117-Q144 WeakPolarHBondContact CA-O 3.49Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.28Å; V117-P159 HydrophobicContact CB-CB 4.45Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; V117-W162 HydrophobicContact CG2-CD2 4.24Å; V117-W162 HydrophobicContact CG2-CE3 3.44Å; V117-W162 VanDerWaalsContact CG2-CE3 3.44Å; V117-W162 HydrophobicContact CG2-CZ3 3.87Å; V117-L163 HydrophobicContact CG2-CD1 4.28Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.74Å
118L98.7Very high96Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-91.4124.5168.6-17964.9000109.5I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.14Å; I87-L118 CarbonylContact O-C 3.5Å; I87-L118 WeakPolarHBondContact O-CA 3.31Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.21Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.63Å; V100-L118 HydrophobicContact CG1-CD2 4.43Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; L118-I135 HydrophobicContact CD2-CG2 4.34Å; L118-H138 HydrophobicContact CD2-CB 4.08Å; L118-Q144 PolarHBondContact N-O 3.4Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.45Å; L118-Y145 HydrophobicContact CG-CD2 3.88Å; L118-Y145 HydrophobicContact CG-CE2 4.31Å; L118-Y145 WeakPolarHBondContact O-CA 3.41Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.34Å; L118-Y146 PolarHBondContact O-N 3.34Å
119C98.7Very high96.1Very high0 Ų054.6 Ų54.60%026%0.26CS..EExtended strand (participates in β ladder)trans-116.9123179.7-68.80000111.5I86 I87 M88 F89 Y146 I148 P159I86-C119 HydrophobicContact CG2-CB 4.23Å; I87-C119 PolarHBondContact O-N 3.01Å; M88-C119 WeakPolarHBondContact CA-O 3.45Å; F89-C119 WeakPolarHBondContact CD1-O 3.28Å; F89-C119 PolarHBondContact N-O 3.41Å; C119-Y146 WeakPolarHBondContact CA-O 3.37Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; C119-P159 VanDerWaalsContact SG-CG 3.54Å
120G98.6Very high96.2Very high0 Ų046.2 Ų46.20%023%0.229CC..EExtended strand (participates in β ladder)trans-91.4102167.500000109.9F89 Y146 I148F89-G120 VanDerWaalsContact CZ-CA 3.47Å; G120-Y146 PolarHBondContact N-O 3.16Å; G120-I148 PolarHBondContact O-N 2.87Å
121N98.4Very high96.2Very high4 Ų450.5 Ų50.52%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-87.4165-177.4-169.228.6000112.5T20 M88 F89 V91 I148 S149 A150T20-N121 PolarHBondContact O-ND2 3.44Å; M88-N121 HydrophobicContact CG-CB 4.01Å; M88-N121 HydrophobicContact SD-CB 3.91Å; F89-N121 PolarHBondContact O-N 3.4Å; V91-N121 WeakPolarHBondContact CG2-O 3.1Å; V91-N121 PolarHBondContact N-O 3.34Å; N121-I148 CarbonylContact C-O 3.49Å; N121-I148 WeakPolarHBondContact CA-O 3.41Å; N121-I148 HydrophobicContact CB-CD1 4.18Å; N121-I148 HydrophobicContact CB-CG1 3.91Å; N121-I148 PolarHBondContact OD1-O 2.97Å; N121-S149 WeakPolarHBondContact OD1-CA 3.46Å; N121-A150 PolarHBondContact OD1-N 3.3Å
122K97Very high96.2Very high54 Ų5450.2 Ų50.224%0.23524%0.242CC..  trans70.532.5176.8-46.1-170-166.7166.20114.7G19 D90 D124 I125 I148G19-K122 WeakPolarHBondContact O-CE 3.38Å; G19-K122 PolarHBondContact O-NZ 2.72Å; D90-K122 WeakPolarHBondContact OD2-CD 3.43Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.48Å; D90-K122 IonicContact OD2-NZ 2.7Å; D90-K122 PolarHBondContact OD2-NZ 2.89Å; K122-D124 WeakPolarHBondContact CA-OD1 2.96Å; K122-D124 PolarHBondContact O-N 3.34Å; K122-I125 HydrophobicContact CB-CD1 4.04Å; K122-I125 HydrophobicContact CB-CG1 4.44Å; K122-I125 HydrophobicContact CD-CD1 4.21Å; K122-I125 PolarHBondContact O-N 3Å; K122-I125 VanDerWaalsContact O-N 3.09Å; K122-I148 PolarHBondContact N-O 3Å
123V97.1Very high96.2Very high0 Ų050.9 Ų50.90%024%0.243CC..THydrogen-bonded Turntrans-66.3-13176.1-58.10000113.6V91 I125 D147 I148 Y154 M188 Y196V91-V123 HydrophobicContact CG1-CG1 4.01Å; V91-V123 HydrophobicContact CG2-CG1 4.12Å; V123-I125 PolarHBondContact O-N 3.29Å; V123-D147 HydrophobicContact CG1-CB 3.85Å; V123-I148 WeakPolarHBondContact CG2-O 3.02Å; V123-I148 PolarHBondContact N-O 2.96Å; V123-Y154 HydrophobicContact CG2-CD1 3.66Å; V123-Y154 HydrophobicContact CG2-CE1 4.17Å; V123-M188 HydrophobicContact CB-CE 4.25Å; V123-M188 HydrophobicContact CG2-CE 3.75Å; V123-M188 HydrophobicContact CG2-SD 4.16Å; V123-Y196 HydrophobicContact CB-CD2 4.15Å; V123-Y196 HydrophobicContact CB-CE2 3.94Å; V123-Y196 WeakPolarHBondContact O-CE2 3.49Å
124D94.4Very high96.2Very high33 Ų3346 Ų4618%0.17622%0.221CC..THydrogen-bonded Turntrans-64.2-17.9170.158.2-70.7000113.2K122 S149 K151 M188K122-D124 WeakPolarHBondContact CA-OD1 2.96Å; K122-D124 PolarHBondContact O-N 3.34Å; D124-S149 VanDerWaalsContact CG-OG 3.25Å; D124-S149 WeakPolarHBondContact OD1-CB 3.19Å; D124-S149 PolarHBondContact OD1-OG 3.47Å; D124-K151 WeakPolarHBondContact OD2-CD 3.18Å; D124-M188 HydrophobicContact CB-SD 4.31Å
125I94.2Very high96.1Very high69 Ų6944.9 Ų44.935%0.35422%0.215SC..SBendtrans-86.4120.5178-58.6177000109.9T92 K122 V123 D127T92-I125 HydrophobicContact CG2-CB 3.73Å; T92-I125 HydrophobicContact CG2-CD1 3.83Å; T92-I125 HydrophobicContact CG2-CG1 4.33Å; T92-I125 HydrophobicContact CG2-CG2 3.75Å; K122-I125 HydrophobicContact CB-CD1 4.04Å; K122-I125 HydrophobicContact CB-CG1 4.44Å; K122-I125 HydrophobicContact CD-CD1 4.21Å; K122-I125 PolarHBondContact O-N 3Å; K122-I125 VanDerWaalsContact O-N 3.09Å; V123-I125 PolarHBondContact O-N 3.29Å; I125-D127 VanDerWaalsContact C-N 3.3Å; I125-D127 PolarHBondContact O-N 2.96Å
126K91.1Very high96Very high176 Ų17645.1 Ų45.177%0.76522%0.216SC*.SBendtrans-59.9-34.7-177.3-65.5-171.1177.1-174.40113.9R128K126-R128 PolarHBondContact O-N 3Å
127D93.7Very high95.9Very high97 Ų9745.8 Ų45.852%0.51922%0.218SC..  trans-80.758.9-179.3-170.321.5000112.3I125 K129I125-D127 VanDerWaalsContact C-N 3.3Å; I125-D127 PolarHBondContact O-N 2.96Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 2.98Å; D127-K129 WeakPolarHBondContact OD1-CE 3.3Å; D127-K129 IonicContact OD1-NZ 2.69Å; D127-K129 PolarHBondContact OD1-NZ 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.33Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 3.36Å
128R96.6Very high95.7Very high21 Ų2147.3 Ų47.38%0.07923%0.226CC..  trans-67.1116.1178.3-179.2174.4-176.3155.69110.9V91 K126 V130 D147 Y196V91-R128 HydrophobicContact CB-CG 4.09Å; V91-R128 HydrophobicContact CG2-CG 4.08Å; K126-R128 PolarHBondContact O-N 3Å; R128-V130 WeakPolarHBondContact CG-O 3.46Å; R128-V130 PolarHBondContact NE-O 3.01Å; R128-D147 IonicContact CZ-OD1 3.89Å; R128-D147 IonicContact CZ-OD2 3.68Å; R128-D147 IonicContact NH1-OD1 3.37Å; R128-D147 IonicContact NH1-OD2 3Å; R128-D147 PolarHBondContact NH1-OD2 2.82Å; R128-D147 IonicContact NH2-OD1 3.47Å; R128-D147 PolarHBondContact NH2-OD1 3.4Å; R128-D147 IonicContact NH2-OD2 2.96Å; R128-D147 PolarHBondContact NH2-OD2 2.8Å; R128-D147 VanDerWaalsContact NH2-OD2 3.16Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R128-Y196 VanDerWaalsContact NH1-CG 3.27Å
129K97.1Very high95.4Very high80 Ų8051.3 Ų51.335%0.34824%0.241SC..SBendtrans-91.5-29.7-179.3-57.5-56.3-172.6-170.40113.9V91 T92 R94 D127V91-K129 PolarHBondContact O-N 3.45Å; T92-K129 WeakPolarHBondContact O-CG 3.31Å; R94-K129 HydrophobicContact CG-CB 3.95Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 2.98Å; D127-K129 WeakPolarHBondContact OD1-CE 3.3Å; D127-K129 IonicContact OD1-NZ 2.69Å; D127-K129 PolarHBondContact OD1-NZ 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.33Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 3.36Å
130V96.9Very high95.1Very high4 Ų455.1 Ų55.12%0.02426%0.257CS..SBendtrans-105.399.8178.1-173.40000108.3F89 V91 R94 Y97 R128 I135F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.87Å; F89-V130 HydrophobicContact CZ-CG1 4.49Å; V91-V130 PolarHBondContact O-N 3.19Å; R94-V130 HydrophobicContact CB-CG2 4.49Å; R94-V130 HydrophobicContact CG-CG2 4.16Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.85Å; R128-V130 WeakPolarHBondContact CG-O 3.46Å; R128-V130 PolarHBondContact NE-O 3.01Å; V130-I135 HydrophobicContact CG1-CD1 4.02Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å
131K94.8Very high94.9Very high140 Ų14060.4 Ų60.461%0.60928%0.28SS*.  trans-86.5159.6-175.8-62.4-172.2177.3-173.90111.2K133 S134 I135K131-K133 PolarHBondContact O-N 2.77Å; K131-K133 VanDerWaalsContact O-N 3.13Å; K131-S134 PolarHBondContact N-OG 2.69Å; K131-S134 VanDerWaalsContact N-OG 3.11Å; K131-S134 PolarHBondContact O-N 2.78Å; K131-S134 PolarHBondContact O-OG 3.35Å; K131-I135 PolarHBondContact O-N 3.24Å
132A93.8Very high94.6Very high4 Ų467.4 Ų67.43%0.03332%0.317CS..G310 helixtrans-45.6-46.5177.400000113.2S134 I135 D199 L200 A203A132-S134 PolarHBondContact O-N 2.86Å; A132-I135 PolarHBondContact O-N 3.32Å; A132-D199 HydrophobicContact CB-CB 3.86Å; A132-L200 HydrophobicContact CB-CD2 3.76Å; A132-L200 HydrophobicContact CB-CG 4.14Å; A132-A203 HydrophobicContact CB-CB 4.14Å
133K92.7Very high94.6Very high166 Ų16665.7 Ų65.772%0.72231%0.311SS*.G310 helixtrans-59.1-28.2178.7-63.8-173177.9-173.50114.8K131K131-K133 PolarHBondContact O-N 2.77Å; K131-K133 VanDerWaalsContact O-N 3.13Å
134S93.5Very high94.7Very high55 Ų5568.6 Ų68.639%0.38532%0.324SS..G310 helixtrans-84.6-12.317753.80000113.5Y97 K131 A132 V136Y97-S134 VanDerWaalsContact CE1-O 3.28Å; Y97-S134 WeakPolarHBondContact CE1-O 3.29Å; K131-S134 PolarHBondContact N-OG 2.69Å; K131-S134 VanDerWaalsContact N-OG 3.11Å; K131-S134 PolarHBondContact O-N 2.78Å; K131-S134 PolarHBondContact O-OG 3.35Å; A132-S134 PolarHBondContact O-N 2.86Å; S134-V136 PolarHBondContact O-N 2.91Å; S134-V136 VanDerWaalsContact O-N 3.16Å
135I95.5Very high94.8Very high3 Ų367.6 Ų67.62%0.01532%0.318CS..  trans-91.978-172.9-59.9158.3000109.4F89 Y97 L118 V130 K131 A132 H138 Y145F89-I135 HydrophobicContact CE2-CD1 4.48Å; F89-I135 HydrophobicContact CZ-CD1 3.94Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.48Å; Y97-I135 HydrophobicContact CE2-CB 4.38Å; Y97-I135 HydrophobicContact CE2-CG1 4.2Å; Y97-I135 HydrophobicContact CE2-CG2 3.94Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; L118-I135 HydrophobicContact CD2-CG2 4.34Å; V130-I135 HydrophobicContact CG1-CD1 4.02Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å; K131-I135 PolarHBondContact O-N 3.24Å; A132-I135 PolarHBondContact O-N 3.32Å; I135-H138 PolarHBondContact O-CE1 3.11Å; I135-H138 PolarHBondContact O-ND1 3.23Å; I135-Y145 HydrophobicContact CD1-CE1 4.34Å; I135-Y145 HydrophobicContact CD1-CE2 4.37Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.34Å; I135-Y145 HydrophobicContact CG2-CD2 3.87Å; I135-Y145 HydrophobicContact CG2-CE1 4.48Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.26Å
136V95.5Very high95Very high34 Ų3466.5 Ų66.521%0.20631%0.31CS..  trans-104.7-18.2-175.3-64.50000114Y97 S134 H138 R139 K140 L208Y97-V136 PolarHBondContact OH-N 2.99Å; S134-V136 PolarHBondContact O-N 2.91Å; S134-V136 VanDerWaalsContact O-N 3.16Å; V136-H138 VanDerWaalsContact C-N 3.28Å; V136-H138 PolarHBondContact O-N 2.97Å; V136-R139 WeakPolarHBondContact O-CB 3.44Å; V136-R139 PolarHBondContact O-N 3.38Å; V136-K140 PolarHBondContact O-N 3.16Å; V136-L208 HydrophobicContact CB-CD2 3.82Å; V136-L208 HydrophobicContact CG1-CD2 3.96Å
137F96.4Very high95.4Very high21 Ų2158.2 Ų58.29%0.09227%0.274CS..Hα-helixtrans-55-40-174.3-174.3-99.8000113.9Y97 V100 P101 H104 R139 K140 K141 L143Y97-F137 VanDerWaalsContact OH-CB 3.31Å; Y97-F137 WeakPolarHBondContact OH-CB 3.32Å; Y97-F137 PolarHBondContact OH-N 2.84Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.14Å; P101-F137 HydrophobicContact CB-CD2 4.33Å; P101-F137 HydrophobicContact CB-CE2 3.7Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.79Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.91Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.88Å; F137-K140 PolarHBondContact O-N 2.81Å; F137-K141 HydrophobicContact CD1-CG 4.43Å; F137-K141 HydrophobicContact CD2-CG 4.46Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.84Å; F137-K141 HydrophobicContact CE2-CG 3.88Å; F137-K141 HydrophobicContact CZ-CB 4.5Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.69Å; F137-L143 HydrophobicContact CD1-CD1 4.15Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å
138H94.4Very high95.6Very high33 Ų3353.6 Ų53.615%0.15325%0.249CC..Hα-helixtrans-61.3-34.9179.872.3-81.9000112.4L118 I135 V136 K141 N142 L143L118-H138 HydrophobicContact CD2-CB 4.08Å; I135-H138 PolarHBondContact O-CE1 3.11Å; I135-H138 PolarHBondContact O-ND1 3.23Å; V136-H138 VanDerWaalsContact C-N 3.28Å; V136-H138 PolarHBondContact O-N 2.97Å; H138-K141 PolarHBondContact O-N 2.92Å; H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.37Å; H138-N142 PolarHBondContact O-N 3.44Å; H138-L143 HydrophobicContact CB-CB 4.02Å; H138-L143 PolarHBondContact O-N 2.85Å
139R92.7Very high95.6Very high84 Ų8452.6 Ų52.632%0.31725%0.245SC..Hα-helixtrans-69.9-44.1176-61.7175.362.8-1703.3111V136 F137 K141 N142 A203 T206 L208V136-R139 WeakPolarHBondContact O-CB 3.44Å; V136-R139 PolarHBondContact O-N 3.38Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.88Å; R139-K141 PolarHBondContact O-N 2.81Å; R139-N142 PolarHBondContact O-N 2.85Å; R139-A203 PolarHBondContact NH1-O 2.97Å; R139-T206 VanDerWaalsContact CZ-O 3.25Å; R139-T206 PolarHBondContact NH1-O 3.31Å; R139-T206 PolarHBondContact NH2-O 3.44Å; R139-L208 HydrophobicContact CB-CD1 4.12Å; R139-L208 HydrophobicContact CB-CD2 4.02Å
140K92Very high95.3Very high80 Ų8048.9 Ų48.935%0.34823%0.23SC..Hα-helixtrans-61.1-30.3177.3-67.3-169.9175.8-167.30112.9V136 F137 L208V136-K140 PolarHBondContact O-N 3.16Å; F137-K140 PolarHBondContact O-N 2.81Å; K140-L208 HydrophobicContact CG-CD1 4.43Å
141K94.6Very high95.1Very high111 Ų11151.3 Ų51.348%0.48324%0.24SC..Hα-helixtrans-111.67.8-176.9-61.2-56.3-178.3-170.50114.8F137 H138 R139 L143F137-K141 HydrophobicContact CD1-CG 4.43Å; F137-K141 HydrophobicContact CD2-CG 4.46Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.84Å; F137-K141 HydrophobicContact CE2-CG 3.88Å; F137-K141 HydrophobicContact CZ-CB 4.5Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.69Å; H138-K141 PolarHBondContact O-N 2.92Å; R139-K141 PolarHBondContact O-N 2.81Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.21Å; K141-L143 HydrophobicContact CB-CD2 4.18Å; K141-L143 HydrophobicContact CB-CG 3.86Å; K141-L143 WeakPolarHBondContact O-CD2 3.36Å; K141-L143 PolarHBondContact O-N 3.07Å
142N93.5Very high94.9Very high150 Ų15045.2 Ų45.280%0.80222%0.215SC*.THydrogen-bonded Turntrans54.142.9-177.4-166.432.3000113.8H138 R139H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.37Å; H138-N142 PolarHBondContact O-N 3.44Å; R139-N142 PolarHBondContact O-N 2.85Å
143L97.2Very high94.8Very high19 Ų1946.3 Ų46.310%0.09922%0.22CC..  trans-96151175.6-45.5-178.3000110.3I116 F137 H138 K141I116-L143 HydrophobicContact CB-CD2 3.77Å; I116-L143 HydrophobicContact CD1-CD2 4.3Å; I116-L143 HydrophobicContact CG2-CD1 4.2Å; I116-L143 HydrophobicContact CG2-CD2 4.16Å; F137-L143 HydrophobicContact CD1-CD1 4.15Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å; H138-L143 HydrophobicContact CB-CB 4.02Å; H138-L143 PolarHBondContact O-N 2.85Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.21Å; K141-L143 HydrophobicContact CB-CD2 4.18Å; K141-L143 HydrophobicContact CB-CG 3.86Å; K141-L143 WeakPolarHBondContact O-CD2 3.36Å; K141-L143 PolarHBondContact O-N 3.07Å
144Q97.4Very high94.8Very high60 Ų6039.8 Ų39.828%0.2819%0.191SC..EExtended strand (participates in β ladder)trans-77140.4166.4-177.261.244.100110.1I116 V117 L118 Y146 W162I116-Q144 PolarHBondContact O-N 3.33Å; V117-Q144 CarbonylContact C-O 3.6Å; V117-Q144 WeakPolarHBondContact CA-O 3.49Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; L118-Q144 PolarHBondContact N-O 3.4Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.38Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.43Å; Q144-W162 HydrophobicContact CB-CE3 4.08Å; Q144-W162 HydrophobicContact CB-CG 4.14Å; Q144-W162 HydrophobicContact CB-CH2 4.03Å; Q144-W162 HydrophobicContact CB-CZ2 3.63Å; Q144-W162 HydrophobicContact CB-CZ3 4.23Å; Q144-W162 HydrophobicContact CG-CD2 3.95Å; Q144-W162 HydrophobicContact CG-CG 3.84Å
145Y98.3Very high94.9Very high13 Ų1338 Ų385%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-112.9140.9173.4179.9-102.8000111.9F89 L118 I135 D147 L200F89-Y145 AromaticContact CE1-CE2 3.68Å; F89-Y145 HydrophobicContact CE1-CE2 3.68Å; F89-Y145 AromaticContact CZ-CE2 3.78Å; F89-Y145 HydrophobicContact CZ-CE2 3.78Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.45Å; L118-Y145 HydrophobicContact CG-CD2 3.88Å; L118-Y145 HydrophobicContact CG-CE2 4.31Å; L118-Y145 WeakPolarHBondContact O-CA 3.41Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.34Å; I135-Y145 HydrophobicContact CD1-CE1 4.34Å; I135-Y145 HydrophobicContact CD1-CE2 4.37Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.34Å; I135-Y145 HydrophobicContact CG2-CD2 3.87Å; I135-Y145 HydrophobicContact CG2-CE1 4.48Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.26Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 2.88Å; Y145-L200 HydrophobicContact CD1-CD1 4.2Å; Y145-L200 HydrophobicContact CD1-CD2 3.68Å; Y145-L200 HydrophobicContact CE1-CD1 3.86Å; Y145-L200 HydrophobicContact CE1-CD2 3.43Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.43Å; Y145-L200 HydrophobicContact CE1-CG 4.3Å
146Y98.3Very high94.6Very high46 Ų4637.8 Ų37.818%0.1818%0.176CC..EExtended strand (participates in β ladder)trans-137.5134.5165.7-66.9-64.9000111.5V117 L118 C119 G120 Q144 K158 P159 W162V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.28Å; L118-Y146 PolarHBondContact O-N 3.34Å; C119-Y146 WeakPolarHBondContact CA-O 3.37Å; G120-Y146 PolarHBondContact N-O 3.16Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.38Å; Y146-K158 HydrophobicContact CD1-CB 3.97Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; Y146-P159 HydrophobicContact CD2-CG 4.14Å; Y146-W162 HydrophobicContact CE2-CB 4.06Å
147D98.1Very high94.5Very high1 Ų138.8 Ų38.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-71.4129.9156.3-89.2-5.1000108.4V123 R128 Y145 Y154 N155 L200V123-D147 HydrophobicContact CG1-CB 3.85Å; R128-D147 IonicContact CZ-OD1 3.89Å; R128-D147 IonicContact CZ-OD2 3.68Å; R128-D147 IonicContact NH1-OD1 3.37Å; R128-D147 IonicContact NH1-OD2 3Å; R128-D147 PolarHBondContact NH1-OD2 2.82Å; R128-D147 IonicContact NH2-OD1 3.47Å; R128-D147 PolarHBondContact NH2-OD1 3.4Å; R128-D147 IonicContact NH2-OD2 2.96Å; R128-D147 PolarHBondContact NH2-OD2 2.8Å; R128-D147 VanDerWaalsContact NH2-OD2 3.16Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 2.88Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; D147-N155 WeakPolarHBondContact O-CB 3.36Å; D147-N155 PolarHBondContact O-ND2 3.46Å; D147-L200 HydrophobicContact CB-CD1 4.25Å
148I97.8Very high94.5Very high0 Ų041 Ų410%019%0.188CC..  trans-134.3158.1177.868.5168.8000111.2F25 M88 C119 G120 N121 K122 V123 Y154 N155 P159F25-I148 HydrophobicContact CD2-CD1 3.67Å; F25-I148 HydrophobicContact CE2-CD1 3.65Å; F25-I148 HydrophobicContact CZ-CD1 4.47Å; M88-I148 HydrophobicContact CE-CD1 3.81Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; G120-I148 PolarHBondContact O-N 2.87Å; N121-I148 CarbonylContact C-O 3.49Å; N121-I148 WeakPolarHBondContact CA-O 3.41Å; N121-I148 HydrophobicContact CB-CD1 4.18Å; N121-I148 HydrophobicContact CB-CG1 3.91Å; N121-I148 PolarHBondContact OD1-O 2.97Å; K122-I148 PolarHBondContact N-O 3Å; V123-I148 WeakPolarHBondContact CG2-O 3.02Å; V123-I148 PolarHBondContact N-O 2.96Å; I148-Y154 WeakPolarHBondContact CA-O 2.95Å; I148-N155 HydrophobicContact CG2-CB 4.14Å; I148-P159 HydrophobicContact CG2-CG 4.29Å
149S96.3Very high94.7Very high0 Ų039.4 Ų39.40%018%0.181CC..BIsolated β-bridgetrans-134.3113.4161.1171.30000110N121 D124 K151 S152 N153 Y154N121-S149 WeakPolarHBondContact OD1-CA 3.46Å; D124-S149 VanDerWaalsContact CG-OG 3.25Å; D124-S149 WeakPolarHBondContact OD1-CB 3.19Å; D124-S149 PolarHBondContact OD1-OG 3.47Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.46Å; S149-K151 VanDerWaalsContact OG-N 3.09Å; S149-S152 WeakPolarHBondContact CB-OG 3.16Å; S149-S152 PolarHBondContact O-N 2.72Å; S149-S152 PolarHBondContact OG-N 3.4Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 2.99Å; S149-N153 WeakPolarHBondContact O-CA 3.09Å; S149-N153 PolarHBondContact O-N 3.32Å; S149-Y154 PolarHBondContact N-O 3.24Å; S149-Y154 PolarHBondContact O-N 3.19Å
150A92.7Very high94.9Very high2 Ų235.5 Ų35.52%0.01717%0.166CC..THydrogen-bonded Turntrans-62-15.9169.900000112.4T24 F25 R28 F34 N121 F156T24-A150 HydrophobicContact CG2-CB 4.22Å; F25-A150 HydrophobicContact CB-CB 4.26Å; R28-A150 WeakPolarHBondContact CD-O 3.46Å; R28-A150 PolarHBondContact NH1-O 2.99Å; F34-A150 WeakPolarHBondContact CD2-O 3.03Å; N121-A150 PolarHBondContact OD1-N 3.3Å; A150-F156 HydrophobicContact CB-CE2 4.29Å
151K91Very high95.2Very high56 Ų5633.1 Ų33.124%0.24316%0.157CC..THydrogen-bonded Turntrans-88.8-34-180-167.7174.7-171.3179.60113.5R28 F34 D124 S149 E185 I186R28-K151 VanDerWaalsContact NH1-CA 3.35Å; R28-K151 PolarHBondContact NH1-O 3.5Å; F34-K151 HydrophobicContact CD2-CB 4.3Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CD 4.49Å; F34-K151 HydrophobicContact CE1-CG 4.28Å; F34-K151 VanDerWaalsContact CE2-CA 3.45Å; F34-K151 HydrophobicContact CE2-CB 3.6Å; F34-K151 HydrophobicContact CE2-CG 3.85Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.11Å; F34-K151 HydrophobicContact CZ-CG 3.79Å; D124-K151 WeakPolarHBondContact OD2-CD 3.18Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.46Å; S149-K151 VanDerWaalsContact OG-N 3.09Å; K151-E185 HydrophobicContact CG-CB 4.16Å; K151-E185 PolarHBondContact O-N 3.09Å; K151-I186 HydrophobicContact CD-CD1 4.04Å; K151-I186 HydrophobicContact CD-CG1 4.39Å; K151-I186 VanDerWaalsContact CE-CD1 3.41Å
152S91Very high95.4Very high11 Ų1129.9 Ų29.98%0.07714%0.142CC..THydrogen-bonded Turntrans-105.50.818065.80000114.5S149 Y154 I186S149-S152 WeakPolarHBondContact CB-OG 3.16Å; S149-S152 PolarHBondContact O-N 2.72Å; S149-S152 PolarHBondContact OG-N 3.4Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 2.99Å; S152-Y154 PolarHBondContact O-N 3.22Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 3.06Å; S152-I186 WeakPolarHBondContact CA-O 3.48Å; S152-I186 WeakPolarHBondContact CB-O 3.49Å
153N91.2Very high95.6Very high27 Ų2722.7 Ų22.714%0.14410%0.104CC..THydrogen-bonded Turntrans59.819.8-170.1-57.3-24.8000113.3R28 S149 N155 F156 L181 A182R28-N153 WeakPolarHBondContact CD-OD1 3.5Å; R28-N153 PolarHBondContact NE-OD1 3.1Å; R28-N153 PolarHBondContact NH1-OD1 2.96Å; S149-N153 WeakPolarHBondContact O-CA 3.09Å; S149-N153 PolarHBondContact O-N 3.32Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-F156 HydrophobicContact CB-CB 4.39Å; N153-F156 WeakPolarHBondContact O-CB 3.34Å; N153-F156 PolarHBondContact O-N 3.04Å; N153-L181 HydrophobicContact CB-CD1 4.29Å; N153-A182 PolarHBondContact ND2-O 2.9Å
154Y94.2Very high95.7Very high29 Ų2921.8 Ų21.811%0.11410%0.099CC..BIsolated β-bridgetrans-68.7124.9179.5-179.8-110000110.8V123 D147 I148 S149 S152 F156 M188 A193 E197V123-Y154 HydrophobicContact CG2-CD1 3.66Å; V123-Y154 HydrophobicContact CG2-CE1 4.17Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; I148-Y154 WeakPolarHBondContact CA-O 2.95Å; S149-Y154 PolarHBondContact N-O 3.24Å; S149-Y154 PolarHBondContact O-N 3.19Å; S152-Y154 PolarHBondContact O-N 3.22Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 3.06Å; Y154-F156 PolarHBondContact O-N 3.01Å; Y154-M188 HydrophobicContact CD2-CB 4.43Å; Y154-M188 HydrophobicContact CD2-CG 4.06Å; Y154-M188 HydrophobicContact CG-CB 4.48Å; Y154-M188 HydrophobicContact CG-CG 4.05Å; Y154-A193 HydrophobicContact CD2-CB 4.38Å; Y154-A193 HydrophobicContact CE2-CB 3.71Å; Y154-E197 WeakPolarHBondContact OH-CG 3.09Å; Y154-E197 PolarHBondContact OH-OE1 3.15Å
155N94.3Very high95.7Very high17 Ų1722.8 Ų22.89%0.09110%0.1CC..THydrogen-bonded Turntrans5427.6-178.3-67.9-23.5000114.5D147 I148 N153 E157 K158 P159D147-N155 WeakPolarHBondContact O-CB 3.36Å; D147-N155 PolarHBondContact O-ND2 3.46Å; I148-N155 HydrophobicContact CG2-CB 4.14Å; N153-N155 PolarHBondContact O-N 3.33Å; N155-E157 VanDerWaalsContact C-N 3.33Å; N155-E157 PolarHBondContact O-N 3.33Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.87Å; N155-K158 HydrophobicContact CB-CG 4.21Å; N155-K158 PolarHBondContact O-N 2.97Å; N155-K158 WeakPolarHBondContact OD1-CD 3.18Å; N155-K158 WeakPolarHBondContact OD1-CE 3.44Å; N155-K158 PolarHBondContact OD1-NZ 3.45Å; N155-P159 VanDerWaalsContact O-CD 3.31Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å
156F90.2Very high95.7Very high0 Ų028.1 Ų28.10%012%0.124CC..  trans-64.8-37.3-166.5-159.8-124.2000112.9F25 R28 H29 A150 N153 Y154 L181F25-F156 HydrophobicContact CB-CE2 4.45Å; F25-F156 AromaticContact CD2-CD2 3.6Å; F25-F156 HydrophobicContact CD2-CD2 3.6Å; F25-F156 AromaticContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CZ 4.14Å; F25-F156 AromaticContact CE2-CD2 3.53Å; F25-F156 HydrophobicContact CE2-CD2 3.53Å; F25-F156 AromaticContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CG 4.34Å; F25-F156 HydrophobicContact CE2-CZ 4.47Å; F25-F156 HydrophobicContact CG-CE2 4.02Å; F25-F156 WeakPolarHBondContact O-CZ 3.48Å; R28-F156 HydrophobicContact CB-CE1 4.22Å; R28-F156 HydrophobicContact CB-CE2 4.46Å; R28-F156 HydrophobicContact CB-CZ 3.6Å; R28-F156 HydrophobicContact CG-CE1 3.86Å; R28-F156 HydrophobicContact CG-CE2 4.44Å; R28-F156 HydrophobicContact CG-CZ 3.6Å; H29-F156 HydrophobicContact CB-CE1 4.26Å; H29-F156 AromaticContact CD2-CD1 3.8Å; H29-F156 AromaticContact CD2-CE1 3.6Å; H29-F156 AromaticContact CE1-CD1 3.09Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.26Å; H29-F156 AromaticContact CE1-CD2 3.7Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.4Å; H29-F156 AromaticContact CE1-CE2 3.56Å; H29-F156 AromaticContact CE1-CG 3.46Å; H29-F156 VanDerWaalsContact CE1-CG 3.46Å; H29-F156 WeakPolarHBondContact CE1-CG 3.15Å; H29-F156 AromaticContact CE1-CZ 3.16Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H29-F156 PolarHBondContact CE1-O 3.18Å; H29-F156 AromaticContact CG-CE1 3.39Å; H29-F156 AromaticContact CG-CZ 3.83Å; H29-F156 AromaticContact ND1-CD1 3.69Å; H29-F156 AromaticContact ND1-CE1 3.02Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.41Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.03Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.21Å; H29-F156 AromaticContact NE2-CD1 3.19Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.5Å; H29-F156 AromaticContact NE2-CE1 3.36Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.39Å; H29-F156 AromaticContact NE2-CG 3.78Å; H29-F156 PolarHBondContact NE2-O 3.05Å; A150-F156 HydrophobicContact CB-CE2 4.29Å; N153-F156 HydrophobicContact CB-CB 4.39Å; N153-F156 WeakPolarHBondContact O-CB 3.34Å; N153-F156 PolarHBondContact O-N 3.04Å; Y154-F156 PolarHBondContact O-N 3.01Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.89Å; F156-L181 HydrophobicContact CD1-CG 4.47Å; F156-L181 HydrophobicContact CE1-CD1 4.24Å; F156-L181 HydrophobicContact CE1-CD2 3.6Å
157E92.8Very high95.7Very high54 Ų5428 Ų2825%0.25213%0.125SC..SBendtrans-84-21.2-179.471.6-71.4163.100114.1N155 F160 L161 F175N155-E157 VanDerWaalsContact C-N 3.33Å; N155-E157 PolarHBondContact O-N 3.33Å; E157-F160 PolarHBondContact O-N 2.92Å; E157-F160 VanDerWaalsContact O-N 3.16Å; E157-L161 PolarHBondContact O-N 2.73Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4Å; E157-F175 HydrophobicContact CG-CD2 4.45Å
158K96.5Very high95.7Very high68 Ų6831 Ų3130%0.29614%0.141SC..Hα-helixtrans-57.8-43.3-172.9-68.4-169.9179.5167.90113.7Y146 N155 F160 L161 W162Y146-K158 HydrophobicContact CD1-CB 3.97Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.87Å; N155-K158 HydrophobicContact CB-CG 4.21Å; N155-K158 PolarHBondContact O-N 2.97Å; N155-K158 WeakPolarHBondContact OD1-CD 3.18Å; N155-K158 WeakPolarHBondContact OD1-CE 3.44Å; N155-K158 PolarHBondContact OD1-NZ 3.45Å; K158-F160 PolarHBondContact O-N 2.9Å; K158-L161 PolarHBondContact O-N 3.44Å; K158-W162 PolarHBondContact O-N 3.19Å
159P98.2Very high95.7Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-57.7-46.9175.7-26.335.9000112.7F25 I86 V117 C119 Y146 I148 N155 W162 L163F25-P159 HydrophobicContact CZ-CG 4.37Å; I86-P159 HydrophobicContact CD1-CB 3.8Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; V117-P159 HydrophobicContact CB-CB 4.45Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; C119-P159 VanDerWaalsContact SG-CG 3.54Å; Y146-P159 HydrophobicContact CD2-CG 4.14Å; I148-P159 HydrophobicContact CG2-CG 4.29Å; N155-P159 VanDerWaalsContact O-CD 3.31Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å; P159-W162 PolarHBondContact O-N 3.17Å; P159-L163 WeakPolarHBondContact O-CB 3.24Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.26Å; P159-L163 PolarHBondContact O-N 2.61Å
160F97.8Very high95.7Very high1 Ų135.3 Ų35.30%0.00418%0.179CC..Hα-helixtrans-68-38.5-178.8-66.6-80.3000112.5L12 F25 H29 L49 F51 Y60 V62 I86 E157 K158 A164 F175L12-F160 HydrophobicContact CD1-CD1 4.09Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.2Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.94Å; H29-F160 AromaticContact CE1-CE2 3.3Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.34Å; H29-F160 AromaticContact ND1-CE2 3.72Å; H29-F160 AromaticContact NE2-CD2 3.62Å; H29-F160 AromaticContact NE2-CE2 3.41Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.23Å; L49-F160 HydrophobicContact CD1-CE1 3.98Å; L49-F160 HydrophobicContact CD1-CZ 3.73Å; F51-F160 HydrophobicContact CD1-CB 4.5Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.18Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.04Å; F51-F160 AromaticContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD2 4.32Å; F51-F160 HydrophobicContact CE2-CE1 4.01Å; F51-F160 AromaticContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.67Å; F51-F160 HydrophobicContact CZ-CD1 3.67Å; F51-F160 AromaticContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CE1 4.11Å; F51-F160 HydrophobicContact CZ-CE2 4.03Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CE1 4.28Å; Y60-F160 HydrophobicContact CE2-CB 4.18Å; Y60-F160 AromaticContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CG-CD1 4.14Å; Y60-F160 HydrophobicContact CG-CE1 4.44Å; Y60-F160 PolarHBondContact OH-O 2.98Å; V62-F160 HydrophobicContact CG2-CE1 4.16Å; I86-F160 HydrophobicContact CD1-CZ 4.4Å; E157-F160 PolarHBondContact O-N 2.92Å; E157-F160 VanDerWaalsContact O-N 3.16Å; K158-F160 PolarHBondContact O-N 2.9Å; F160-A164 VanDerWaalsContact O-CB 3.31Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.5Å; F160-F175 HydrophobicContact CB-CE2 4.28Å; F160-F175 HydrophobicContact CB-CZ 3.97Å
161L97.8Very high95.9Very high30 Ų3039.7 Ų39.716%0.15721%0.207CC..Hα-helixtrans-65.7-45177.7-177.859.9000111.4E157 K158 A164 R165 L173 F175E157-L161 PolarHBondContact O-N 2.73Å; K158-L161 PolarHBondContact O-N 3.44Å; L161-A164 PolarHBondContact O-N 2.89Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 2.85Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; L161-F175 HydrophobicContact CB-CD2 4.27Å; L161-F175 HydrophobicContact CB-CE2 3.71Å; L161-F175 HydrophobicContact CB-CZ 3.86Å; L161-F175 HydrophobicContact CD1-CD1 3.97Å; L161-F175 HydrophobicContact CD1-CD2 4.34Å; L161-F175 HydrophobicContact CD1-CE1 3.97Å; L161-F175 HydrophobicContact CD1-CE2 4.34Å; L161-F175 HydrophobicContact CD1-CG 4.18Å; L161-F175 HydrophobicContact CD1-CZ 4.17Å
162W98.5Very high96.3Very high43 Ų4342.2 Ų42.216%0.16322%0.224CC..Hα-helixtrans-63.2-44.2177.4-174.897.3000111.7P115 V117 Q144 Y146 K158 P159 A164 R165 K166P115-W162 HydrophobicContact CB-CH2 4.29Å; P115-W162 HydrophobicContact CB-CZ3 3.8Å; V117-W162 HydrophobicContact CG2-CD2 4.24Å; V117-W162 HydrophobicContact CG2-CE3 3.44Å; V117-W162 VanDerWaalsContact CG2-CE3 3.44Å; V117-W162 HydrophobicContact CG2-CZ3 3.87Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.43Å; Q144-W162 HydrophobicContact CB-CE3 4.08Å; Q144-W162 HydrophobicContact CB-CG 4.14Å; Q144-W162 HydrophobicContact CB-CH2 4.03Å; Q144-W162 HydrophobicContact CB-CZ2 3.63Å; Q144-W162 HydrophobicContact CB-CZ3 4.23Å; Q144-W162 HydrophobicContact CG-CD2 3.95Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Y146-W162 HydrophobicContact CE2-CB 4.06Å; K158-W162 PolarHBondContact O-N 3.19Å; P159-W162 PolarHBondContact O-N 3.17Å; W162-A164 VanDerWaalsContact C-N 3.31Å; W162-A164 PolarHBondContact O-N 2.68Å; W162-R165 PolarHBondContact O-N 3.09Å; W162-K166 HydrophobicContact CD2-CG 4.01Å; W162-K166 HydrophobicContact CE3-CG 3.96Å; W162-K166 HydrophobicContact CH2-CD 4.4Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.82Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.32Å
163L98.6Very high96.6Very high0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-59.7-42.9174.4-72.7176.2000111.4L12 Y60 C84 I86 P115 V117 P159 R165 K166 L167L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.39Å; Y60-L163 HydrophobicContact CE1-CB 4.38Å; Y60-L163 WeakPolarHBondContact OH-CB 3.5Å; C84-L163 HydrophobicContact CB-CD1 4.13Å; C84-L163 HydrophobicContact CB-CD2 3.71Å; C84-L163 HydrophobicContact CB-CG 4.38Å; I86-L163 HydrophobicContact CD1-CD1 4.36Å; I86-L163 HydrophobicContact CG1-CD1 3.99Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 HydrophobicContact CG-CD2 4.21Å; P115-L163 WeakPolarHBondContact O-CD2 3.24Å; V117-L163 HydrophobicContact CG2-CD1 4.28Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.74Å; P159-L163 WeakPolarHBondContact O-CB 3.24Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.26Å; P159-L163 PolarHBondContact O-N 2.61Å; L163-R165 PolarHBondContact O-N 3.3Å; L163-K166 PolarHBondContact O-N 2.63Å; L163-L167 HydrophobicContact CB-CD1 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CD1 3.39Å; L163-L167 WeakPolarHBondContact O-CG 3.11Å; L163-L167 PolarHBondContact O-N 3.02Å
164A98.1Very high96.8Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-62.5-46.4-179.300000110.6I58 Y60 F160 L161 W162 K166 L167 I168 L173I58-A164 HydrophobicContact CD1-CB 3.96Å; Y60-A164 WeakPolarHBondContact OH-CA 3.33Å; Y60-A164 WeakPolarHBondContact OH-CB 3.47Å; Y60-A164 PolarHBondContact OH-N 3.04Å; F160-A164 VanDerWaalsContact O-CB 3.31Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.5Å; L161-A164 PolarHBondContact O-N 2.89Å; W162-A164 VanDerWaalsContact C-N 3.31Å; W162-A164 PolarHBondContact O-N 2.68Å; A164-K166 VanDerWaalsContact C-N 3.3Å; A164-K166 PolarHBondContact O-N 3.2Å; A164-L167 PolarHBondContact O-N 3.48Å; A164-I168 VanDerWaalsContact O-CB 3.27Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.81Å; A164-L173 HydrophobicContact CB-CD1 4.25Å; A164-L173 HydrophobicContact CB-CD2 3.79Å
165R98.4Very high96.9Very high80 Ų8046.5 Ų46.530%0.30224%0.242SC..Hα-helixtrans-57.2-42.7175.5-71.6170.9174177.4-5.4112.1L161 W162 L163 G169 D170 P171 L173L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 2.85Å; W162-R165 PolarHBondContact O-N 3.09Å; L163-R165 PolarHBondContact O-N 3.3Å; R165-G169 WeakPolarHBondContact O-CA 3.42Å; R165-G169 PolarHBondContact O-N 2.86Å; R165-D170 WeakPolarHBondContact CA-O 3.49Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3Å; R165-P171 PolarHBondContact NE-O 3.19Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.31Å; R165-L173 PolarHBondContact NE-O 2.81Å; R165-L173 PolarHBondContact NH2-O 3.27Å
166K98.2Very high96.8Very high126 Ų12650 Ų5055%0.54826%0.264SS..Hα-helixtrans-69.9-42.6179-72.1-63.2-172.5179.80113.1P115 W162 L163 A164P115-K166 HydrophobicContact CB-CB 3.9Å; P115-K166 HydrophobicContact CB-CG 4.38Å; P115-K166 HydrophobicContact CG-CB 4.3Å; W162-K166 HydrophobicContact CD2-CG 4.01Å; W162-K166 HydrophobicContact CE3-CG 3.96Å; W162-K166 HydrophobicContact CH2-CD 4.4Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.82Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.32Å; L163-K166 PolarHBondContact O-N 2.63Å; A164-K166 VanDerWaalsContact C-N 3.3Å; A164-K166 PolarHBondContact O-N 3.2Å
167L98Very high96.4Very high42 Ų4255.7 Ų55.722%0.2229%0.29CS..Hα-helixtrans-73-37.5-177.4-69.6164.6000112.5F10 Y60 Q83 C84 P115 L163 A164F10-L167 HydrophobicContact CB-CD1 4.11Å; F10-L167 HydrophobicContact CD1-CB 4.33Å; F10-L167 HydrophobicContact CD1-CD1 3.98Å; F10-L167 HydrophobicContact CD1-CD2 4.08Å; F10-L167 HydrophobicContact CD1-CG 4.37Å; F10-L167 HydrophobicContact CD2-CB 4.44Å; F10-L167 HydrophobicContact CD2-CD1 3.77Å; F10-L167 HydrophobicContact CE1-CB 3.88Å; F10-L167 HydrophobicContact CE1-CD1 4.36Å; F10-L167 HydrophobicContact CE1-CD2 4.22Å; F10-L167 HydrophobicContact CE1-CG 4.39Å; F10-L167 HydrophobicContact CE2-CB 3.97Å; F10-L167 HydrophobicContact CE2-CD1 4.14Å; F10-L167 HydrophobicContact CG-CD1 3.69Å; F10-L167 HydrophobicContact CZ-CB 3.69Å; F10-L167 HydrophobicContact CZ-CD1 4.44Å; Y60-L167 HydrophobicContact CE1-CD1 3.79Å; Q83-L167 HydrophobicContact CB-CD2 4.31Å; Q83-L167 WeakPolarHBondContact O-CD2 3.34Å; C84-L167 HydrophobicContact CB-CD1 3.97Å; C84-L167 HydrophobicContact CB-CD2 4.4Å; P115-L167 HydrophobicContact CG-CD2 3.75Å; P115-L167 HydrophobicContact CG-CG 4.02Å; L163-L167 HydrophobicContact CB-CD1 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CD1 3.39Å; L163-L167 WeakPolarHBondContact O-CG 3.11Å; L163-L167 PolarHBondContact O-N 3.02Å; A164-L167 PolarHBondContact O-N 3.48Å
168I97.4Very high95.3Very high65 Ų6560.4 Ų60.433%0.33331%0.314SS..Hα-helixtrans-82.1-25.1177.6-59-61.5000111.6V8 F10 I58 A164 D170 L173V8-I168 HydrophobicContact CG1-CD1 3.93Å; F10-I168 HydrophobicContact CE2-CD1 4.03Å; F10-I168 HydrophobicContact CZ-CD1 3.87Å; I58-I168 HydrophobicContact CD1-CD1 3.93Å; I58-I168 HydrophobicContact CD1-CG1 3.67Å; A164-I168 VanDerWaalsContact O-CB 3.27Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.81Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 HydrophobicContact CG2-CB 4.14Å; I168-L173 HydrophobicContact CB-CD1 4.08Å; I168-L173 HydrophobicContact CG1-CD1 3.82Å; I168-L173 HydrophobicContact CG2-CD1 4.21Å
169G97.7Very high93.9Very high63 Ų6358.7 Ų58.765%0.64931%0.31SS*.THydrogen-bonded Turntrans7719.6-175.300000113.7R165R165-G169 WeakPolarHBondContact O-CA 3.42Å; R165-G169 PolarHBondContact O-N 2.86Å
170D97.8Very high92.4Very high27 Ų2763.7 Ų63.714%0.14435%0.351CS..  trans-116.5105.6177.2-173.4-5.7000110.5R55 R165 I168 N172 L173R55-D170 IonicContact CZ-OD2 3.67Å; R55-D170 IonicContact NE-OD2 3.04Å; R55-D170 PolarHBondContact NE-OD2 2.84Å; R55-D170 IonicContact NH2-OD2 2.68Å; R55-D170 PolarHBondContact NH2-OD2 3Å; R165-D170 WeakPolarHBondContact CA-O 3.49Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 HydrophobicContact CG2-CB 4.14Å; D170-N172 PolarHBondContact O-N 3.42Å; D170-N172 WeakPolarHBondContact OD1-CA 3.36Å; D170-N172 WeakPolarHBondContact OD1-CB 3.19Å; D170-N172 PolarHBondContact OD1-N 3.3Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 3.11Å
171P97.4Very high91Very high95 Ų9566 Ų6662%0.61736%0.364SS*.THydrogen-bonded Turntrans-66.8-18.6177.327.9-34.2000113.5R165 L173R165-P171 PolarHBondContact NE-O 3.19Å; P171-L173 VanDerWaalsContact C-N 3.32Å
172N97.6Very high89.7Confident109 Ų10966.5 Ų66.558%0.58337%0.371SS*.THydrogen-bonded Turntrans-92.48.5178.8-52.7-57.8000112.6N54 D170 E174N54-N172 PolarHBondContact ND2-O 3.06Å; D170-N172 PolarHBondContact O-N 3.42Å; D170-N172 WeakPolarHBondContact OD1-CA 3.36Å; D170-N172 WeakPolarHBondContact OD1-CB 3.19Å; D170-N172 PolarHBondContact OD1-N 3.3Å; N172-E174 PolarHBondContact O-N 3.03Å
173L97.6Very high88.6Confident0 Ų069.6 Ų69.60%040%0.397CS..  trans-64132.4172-175.9154.3000109.5T53 N54 I58 L161 A164 R165 I168 D170 P171 F175T53-L173 HydrophobicContact CG2-CD1 4.37Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.3Å; N54-L173 WeakPolarHBondContact OD1-CA 3.35Å; I58-L173 HydrophobicContact CD1-CD1 3.81Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; A164-L173 HydrophobicContact CB-CD1 4.25Å; A164-L173 HydrophobicContact CB-CD2 3.79Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.31Å; R165-L173 PolarHBondContact NE-O 2.81Å; R165-L173 PolarHBondContact NH2-O 3.27Å; I168-L173 HydrophobicContact CB-CD1 4.08Å; I168-L173 HydrophobicContact CG1-CD1 3.82Å; I168-L173 HydrophobicContact CG2-CD1 4.21Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 3.11Å; P171-L173 VanDerWaalsContact C-N 3.32Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å
174E96.4Very high87.6Confident115 Ų11572.5 Ų72.554%0.53742%0.416SS..  trans-134.9147.9179.9-68.2-177.3169.800110.2T53 N54 N172T53-E174 CarbonylContact C-O 3.53Å; T53-E174 WeakPolarHBondContact CA-O 3.05Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; N54-E174 PolarHBondContact N-O 2.93Å; N54-E174 PolarHBondContact OD1-N 2.98Å; N54-E174 PolarHBondContact OD1-O 2.97Å; N172-E174 PolarHBondContact O-N 3.03Å
175F94.9Very high86.6Confident42 Ų4276 Ų7618%0.18443%0.433CS..BIsolated β-bridgetrans-76.5126.6168.6-64.4-24.6000109.4F51 H52 T53 E157 F160 L161 L173F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 3.95Å; F51-F175 HydrophobicContact CD1-CD2 4.16Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.58Å; F51-F175 HydrophobicContact CD1-CE2 3.58Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.03Å; F51-F175 HydrophobicContact CE1-CZ 4.19Å; F51-F175 HydrophobicContact CG-CE1 4.06Å; F51-F175 HydrophobicContact CG-CE2 4.35Å; F51-F175 AromaticContact CG-CZ 3.82Å; F51-F175 HydrophobicContact CG-CZ 3.82Å; H52-F175 WeakPolarHBondContact O-CA 3.18Å; T53-F175 HydrophobicContact CG2-CD1 3.94Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4Å; E157-F175 HydrophobicContact CG-CD2 4.45Å; F160-F175 HydrophobicContact CB-CE2 4.28Å; F160-F175 HydrophobicContact CB-CZ 3.97Å; L161-F175 HydrophobicContact CB-CD2 4.27Å; L161-F175 HydrophobicContact CB-CE2 3.71Å; L161-F175 HydrophobicContact CB-CZ 3.86Å; L161-F175 HydrophobicContact CD1-CD1 3.97Å; L161-F175 HydrophobicContact CD1-CD2 4.34Å; L161-F175 HydrophobicContact CD1-CE1 3.97Å; L161-F175 HydrophobicContact CD1-CE2 4.34Å; L161-F175 HydrophobicContact CD1-CG 4.18Å; L161-F175 HydrophobicContact CD1-CZ 4.17Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å
176V93.1Very high85.8Confident90 Ų9076 Ų7655%0.54544%0.438SS..SBendtrans-92.3-19.8-179.1-67.10000112.4H52 N54H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 WeakPolarHBondContact O-CG2 3.21Å; H52-V176 PolarHBondContact O-N 3.38Å; N54-V176 HydrophobicContact CB-CG1 3.94Å
177E81.8Confident85.2Confident120 Ų12073.8 Ų73.856%0.56144%0.443SS*.SBendtrans-134.2134.9175.9-66.1176.7179.800108.5H52H52-E177 HydrophobicContact CB-CB 4.36Å; H52-E177 IonicContact CG-OE2 3.26Å; H52-E177 IonicContact ND1-OE2 3.87Å
178M70.3Confident84.7Confident152 Ų15273 Ų7375%0.74944%0.438SS*.  trans-73.8136.6167.4-74.5-171.3145.800108.6A180M178-A180 PolarHBondContact O-N 2.91Å
179P65.9Low84.4Confident33 Ų3373.3 Ų73.321%0.21444%0.441CS..  trans-50.6142.7165.7-22.532.1000109.4F51 L181F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.91Å; P179-L181 HydrophobicContact CB-CD2 4.39Å; P179-L181 HydrophobicContact CB-CG 4.48Å; P179-L181 PolarHBondContact O-N 3.18Å
180A67.1Low84.1Confident104 Ų10475.3 Ų75.386%0.8644%0.442SS*.  trans-67.880.7177.400000110.3M178M178-A180 PolarHBondContact O-N 2.91Å
181L69.7Low83.9Confident51 Ų5179 Ų7927%0.26747%0.465SS..PPolyproline II helixtrans-80.5134.7177.9-61.1176.2000109.3R28 N153 F156 P179R28-L181 WeakPolarHBondContact O-CD2 3.46Å; N153-L181 HydrophobicContact CB-CD1 4.29Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.89Å; F156-L181 HydrophobicContact CD1-CG 4.47Å; F156-L181 HydrophobicContact CE1-CD1 4.24Å; F156-L181 HydrophobicContact CE1-CD2 3.6Å; P179-L181 HydrophobicContact CB-CD2 4.39Å; P179-L181 HydrophobicContact CB-CG 4.48Å; P179-L181 PolarHBondContact O-N 3.18Å
182A69.8Low83.6Confident39 Ų3975.6 Ų75.632%0.32244%0.442SS..PPolyproline II helixtrans-64.4150.8168.700000109.4R28 G32 N153R28-A182 PolarHBondContact NH2-O 3.18Å; G32-A182 WeakPolarHBondContact O-CB 3.14Å; G32-A182 PolarHBondContact O-N 3.28Å; N153-A182 PolarHBondContact ND2-O 2.9Å
183P75.7Confident83.3Confident109 Ų10971 Ų7171%0.70842%0.419SS*.PPolyproline II helixtrans-48.5144.4178.7-28.234.6000112.4R28 E185R28-P183 PolarHBondContact NH2-O 2.82Å; P183-E185 PolarHBondContact O-N 2.59Å
184P77.8Confident83.1Confident60 Ų6073.6 Ų73.639%0.3944%0.441SS..PPolyproline II helixtrans-54.7137.7176.223.1-32.4000110.8R28 I186R28-P184 VanDerWaalsContact NH2-CA 3.31Å; P184-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 PolarHBondContact O-N 3.26Å
185E77.1Confident83Confident75 Ų7573 Ų7335%0.3544%0.438SS..SBendtrans-66.3-31172.2-68.6-155.2156.800111.3F34 K36 K151 P183F34-E185 HydrophobicContact CB-CG 3.78Å; F34-E185 HydrophobicContact CD1-CG 3.98Å; F34-E185 VanDerWaalsContact CD1-OE1 3.26Å; F34-E185 WeakPolarHBondContact CD1-OE1 3.41Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.25Å; F34-E185 HydrophobicContact CG-CG 3.98Å; K36-E185 VanDerWaalsContact CE-CD 3.44Å; K36-E185 WeakPolarHBondContact CE-OE1 3.4Å; K36-E185 WeakPolarHBondContact CE-OE2 3.43Å; K36-E185 IonicContact NZ-OE1 3.67Å; K151-E185 HydrophobicContact CG-CB 4.16Å; K151-E185 PolarHBondContact O-N 3.09Å; P183-E185 PolarHBondContact O-N 2.59Å
186I81.6Confident82.8Confident80 Ų8071.8 Ų71.841%0.4143%0.432SS..SBendtrans-140.6130176.7-64-177.8000106.7K151 S152 P184K151-I186 HydrophobicContact CD-CD1 4.04Å; K151-I186 HydrophobicContact CD-CG1 4.39Å; K151-I186 VanDerWaalsContact CE-CD1 3.41Å; S152-I186 WeakPolarHBondContact CA-O 3.48Å; S152-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 PolarHBondContact O-N 3.26Å
187A84.4Confident82.8Confident79 Ų7972 Ų7265%0.65343%0.427SS*.PPolyproline II helixtrans-69.3135.517100000110D189A187-D189 PolarHBondContact O-N 3.13Å
188M88.6Confident83.4Confident24 Ų2471.7 Ų71.712%0.11843%0.426CS..PPolyproline II helixtrans-63.4130.2168.6-171.464.1-178.100108.5V123 D124 Y154 P190 L192 A193 Y196V123-M188 HydrophobicContact CB-CE 4.25Å; V123-M188 HydrophobicContact CG2-CE 3.75Å; V123-M188 HydrophobicContact CG2-SD 4.16Å; D124-M188 HydrophobicContact CB-SD 4.31Å; Y154-M188 HydrophobicContact CD2-CB 4.43Å; Y154-M188 HydrophobicContact CD2-CG 4.06Å; Y154-M188 HydrophobicContact CG-CB 4.48Å; Y154-M188 HydrophobicContact CG-CG 4.05Å; M188-P190 VanDerWaalsContact O-CD 3.24Å; M188-P190 WeakPolarHBondContact O-CD 3.47Å; M188-L192 HydrophobicContact CE-CB 4.43Å; M188-L192 HydrophobicContact CE-CD2 4.1Å; M188-L192 HydrophobicContact CE-CG 4.13Å; M188-A193 HydrophobicContact CE-CB 4.36Å; M188-A193 HydrophobicContact CG-CB 3.99Å; M188-Y196 HydrophobicContact CE-CD2 3.86Å; M188-Y196 HydrophobicContact CE-CE2 3.87Å
189D90.8Very high84.5Confident73 Ų7367.5 Ų67.539%0.3941%0.406SS..PPolyproline II helixtrans-61.9117.1173.6176.9-9.8000109A187 T191 L192 A193A187-D189 PolarHBondContact O-N 3.13Å; D189-T191 PolarHBondContact O-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.01Å; D189-T191 PolarHBondContact OD1-N 3.39Å; D189-T191 PolarHBondContact OD1-OG1 3.09Å; D189-L192 HydrophobicContact CB-CB 3.83Å; D189-L192 WeakPolarHBondContact O-CB 3.2Å; D189-L192 PolarHBondContact O-N 2.98Å; D189-L192 VanDerWaalsContact O-N 3.08Å; D189-A193 PolarHBondContact O-N 2.72Å
190P91Very high85.7Confident104 Ų10467.8 Ų67.868%0.67541%0.406SS*.Hα-helixtrans-59-32.8-177.4-24.734.8000113.2M188 A193 A194M188-P190 VanDerWaalsContact O-CD 3.24Å; M188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-A193 PolarHBondContact O-N 3.44Å; P190-A194 WeakPolarHBondContact O-CB 3.34Å; P190-A194 PolarHBondContact O-N 3.09Å
191T92.8Very high86.9Confident104 Ų10468.9 Ų68.964%0.63839%0.391SS*.Hα-helixtrans-67.3-42.5177.9-45.90000110.2D189 Q195D189-T191 PolarHBondContact O-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.01Å; D189-T191 PolarHBondContact OD1-N 3.39Å; D189-T191 PolarHBondContact OD1-OG1 3.09Å; T191-Q195 WeakPolarHBondContact O-CB 3.24Å; T191-Q195 PolarHBondContact O-N 2.8Å
192L91.1Very high88Confident25 Ų2569 Ų6913%0.13139%0.394CS..Hα-helixtrans-69-40.6178.1-171.863000111.7M188 D189 Q195 Y196M188-L192 HydrophobicContact CE-CB 4.43Å; M188-L192 HydrophobicContact CE-CD2 4.1Å; M188-L192 HydrophobicContact CE-CG 4.13Å; D189-L192 HydrophobicContact CB-CB 3.83Å; D189-L192 WeakPolarHBondContact O-CB 3.2Å; D189-L192 PolarHBondContact O-N 2.98Å; D189-L192 VanDerWaalsContact O-N 3.08Å; L192-Q195 PolarHBondContact O-N 3.14Å; L192-Y196 HydrophobicContact CD1-CE1 3.86Å; L192-Y196 HydrophobicContact CD1-CE2 3.88Å; L192-Y196 HydrophobicContact CD2-CE2 3.88Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.41Å; L192-Y196 HydrophobicContact CG-CE2 3.53Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.16Å
193A91.9Very high88.9Confident11 Ų1167.8 Ų67.89%0.09138%0.384CS..Hα-helixtrans-59.9-48.8174.600000111.5Y154 M188 D189 P190 Q195 Y196 E197Y154-A193 HydrophobicContact CD2-CB 4.38Å; Y154-A193 HydrophobicContact CE2-CB 3.71Å; M188-A193 HydrophobicContact CE-CB 4.36Å; M188-A193 HydrophobicContact CG-CB 3.99Å; D189-A193 PolarHBondContact O-N 2.72Å; P190-A193 PolarHBondContact O-N 3.44Å; A193-Q195 VanDerWaalsContact C-N 3.31Å; A193-Q195 PolarHBondContact O-N 3.02Å; A193-Y196 PolarHBondContact O-N 3.46Å; A193-E197 WeakPolarHBondContact O-CG 3.32Å; A193-E197 PolarHBondContact O-N 3.26Å
194A93.1Very high89.5Confident56 Ų5665.7 Ų65.746%0.46337%0.372SS..Hα-helixtrans-61.2-39.2176.700000112.3P190 H198P190-A194 WeakPolarHBondContact O-CB 3.34Å; P190-A194 PolarHBondContact O-N 3.09Å; A194-H198 WeakPolarHBondContact O-CB 3.43Å; A194-H198 PolarHBondContact O-N 3.42Å
195Q93.8Very high89.9Confident103 Ų10369.3 Ų69.348%0.48138%0.383SS..Hα-helixtrans-62.1-46.6175-177.3177.313.100111.8T191 L192 A193 H198 D199T191-Q195 WeakPolarHBondContact O-CB 3.24Å; T191-Q195 PolarHBondContact O-N 2.8Å; L192-Q195 PolarHBondContact O-N 3.14Å; A193-Q195 VanDerWaalsContact C-N 3.31Å; A193-Q195 PolarHBondContact O-N 3.02Å; Q195-H198 WeakPolarHBondContact O-CB 3.12Å; Q195-H198 PolarHBondContact O-N 2.86Å; Q195-D199 WeakPolarHBondContact O-CB 3.2Å; Q195-D199 PolarHBondContact O-N 3.42Å
196Y92.5Very high90.3Very high15 Ų1569.2 Ų69.26%0.05939%0.388CS..Hα-helixtrans-66-38.3179.2-68.4-27.1000113V123 R128 M188 L192 A193 H198 D199 L200V123-Y196 HydrophobicContact CB-CD2 4.15Å; V123-Y196 HydrophobicContact CB-CE2 3.94Å; V123-Y196 WeakPolarHBondContact O-CE2 3.49Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R128-Y196 VanDerWaalsContact NH1-CG 3.27Å; M188-Y196 HydrophobicContact CE-CD2 3.86Å; M188-Y196 HydrophobicContact CE-CE2 3.87Å; L192-Y196 HydrophobicContact CD1-CE1 3.86Å; L192-Y196 HydrophobicContact CD1-CE2 3.88Å; L192-Y196 HydrophobicContact CD2-CE2 3.88Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.41Å; L192-Y196 HydrophobicContact CG-CE2 3.53Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.16Å; A193-Y196 PolarHBondContact O-N 3.46Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; Y196-D199 PolarHBondContact O-N 3.47Å; Y196-L200 WeakPolarHBondContact O-CB 3.26Å; Y196-L200 WeakPolarHBondContact O-CG 3.46Å; Y196-L200 PolarHBondContact O-N 2.73Å
197E92.4Very high90.4Very high94 Ų9469.4 Ų69.444%0.43940%0.402SS..Hα-helixtrans-62.6-42.5173.2-72.7178.4-173.300111.7Y154 A193 L200 K201Y154-E197 WeakPolarHBondContact OH-CG 3.09Å; Y154-E197 PolarHBondContact OH-OE1 3.15Å; A193-E197 WeakPolarHBondContact O-CG 3.32Å; A193-E197 PolarHBondContact O-N 3.26Å; E197-L200 PolarHBondContact O-N 3.08Å; E197-K201 PolarHBondContact O-N 2.92Å
198H94.4Very high90.1Very high115 Ų11568.5 Ų68.553%0.53239%0.385SS..Hα-helixtrans-61.4-49174.3179.272.2000111.8A194 Q195 Y196 L200 K201 V202A194-H198 WeakPolarHBondContact O-CB 3.43Å; A194-H198 PolarHBondContact O-N 3.42Å; Q195-H198 WeakPolarHBondContact O-CB 3.12Å; Q195-H198 PolarHBondContact O-N 2.86Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; H198-L200 VanDerWaalsContact C-N 3.29Å; H198-L200 PolarHBondContact O-N 3.29Å; H198-K201 WeakPolarHBondContact O-CB 3.46Å; H198-K201 PolarHBondContact O-N 3.22Å; H198-K201 VanDerWaalsContact O-N 3.16Å; H198-V202 WeakPolarHBondContact O-CG2 3.09Å; H198-V202 PolarHBondContact O-N 3.31Å
199D92.9Very high89.4Confident63 Ų6370.7 Ų70.734%0.33740%0.401SS..Hα-helixtrans-59.8-38.7179.5-76.7-9.1000112A132 Q195 Y196 A203A132-D199 HydrophobicContact CB-CB 3.86Å; Q195-D199 WeakPolarHBondContact O-CB 3.2Å; Q195-D199 PolarHBondContact O-N 3.42Å; Y196-D199 PolarHBondContact O-N 3.47Å; D199-A203 VanDerWaalsContact O-CB 3.28Å; D199-A203 WeakPolarHBondContact O-CB 3.44Å; D199-A203 PolarHBondContact O-N 3.4Å
200L91.7Very high88.2Confident40 Ų4074 Ų7421%0.20942%0.419CS..Hα-helixtrans-67.2-41.4175.6-75.6171.6000112.4A132 Y145 D147 Y196 E197 H198 A203 S204A132-L200 HydrophobicContact CB-CD2 3.76Å; A132-L200 HydrophobicContact CB-CG 4.14Å; Y145-L200 HydrophobicContact CD1-CD1 4.2Å; Y145-L200 HydrophobicContact CD1-CD2 3.68Å; Y145-L200 HydrophobicContact CE1-CD1 3.86Å; Y145-L200 HydrophobicContact CE1-CD2 3.43Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.43Å; Y145-L200 HydrophobicContact CE1-CG 4.3Å; D147-L200 HydrophobicContact CB-CD1 4.25Å; Y196-L200 WeakPolarHBondContact O-CB 3.26Å; Y196-L200 WeakPolarHBondContact O-CG 3.46Å; Y196-L200 PolarHBondContact O-N 2.73Å; E197-L200 PolarHBondContact O-N 3.08Å; H198-L200 VanDerWaalsContact C-N 3.29Å; H198-L200 PolarHBondContact O-N 3.29Å; L200-A203 PolarHBondContact O-N 3.22Å; L200-S204 PolarHBondContact O-N 2.79Å
201K92.1Very high86.7Confident127 Ų12776 Ų7655%0.55242%0.42SS*.Hα-helixtrans-60.9-49.9175.5-174.2-178.9176.9-174.40110.7E197 H198 A203 S204 E205E197-K201 PolarHBondContact O-N 2.92Å; H198-K201 WeakPolarHBondContact O-CB 3.46Å; H198-K201 PolarHBondContact O-N 3.22Å; H198-K201 VanDerWaalsContact O-N 3.16Å; K201-A203 VanDerWaalsContact C-N 3.32Å; K201-A203 PolarHBondContact O-N 3.39Å; K201-S204 PolarHBondContact O-N 2.65Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 2.78Å; K201-E205 VanDerWaalsContact CE-OE1 3.26Å; K201-E205 WeakPolarHBondContact CE-OE1 3.46Å; K201-E205 PolarHBondContact O-N 3.29Å
202V92.6Very high84.7Confident52 Ų5278.7 Ų78.732%0.31543%0.43SS..Hα-helixtrans-59.8-42.7177.3174.30000111.4H198 S204 E205 T206H198-V202 WeakPolarHBondContact O-CG2 3.09Å; H198-V202 PolarHBondContact O-N 3.31Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.7Å; V202-E205 PolarHBondContact O-N 3.27Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 2.71Å
203A89.5Confident82.7Confident15 Ų1583.9 Ų83.912%0.12446%0.458CS..Hα-helixtrans-65.1-32.9177.400000113A132 R139 D199 L200 K201 E205 T206A132-A203 HydrophobicContact CB-CB 4.14Å; R139-A203 PolarHBondContact NH1-O 2.97Å; D199-A203 VanDerWaalsContact O-CB 3.28Å; D199-A203 WeakPolarHBondContact O-CB 3.44Å; D199-A203 PolarHBondContact O-N 3.4Å; L200-A203 PolarHBondContact O-N 3.22Å; K201-A203 VanDerWaalsContact C-N 3.32Å; K201-A203 PolarHBondContact O-N 3.39Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-T206 PolarHBondContact O-N 3.4Å
204S86.9Confident80.4Confident64 Ų6490 Ų9045%0.44849%0.489SS..Hα-helixtrans-69.6-30.3176.472.50000113.4L200 K201 V202L200-S204 PolarHBondContact O-N 2.79Å; K201-S204 PolarHBondContact O-N 2.65Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 2.78Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.7Å
205E87.5Confident78Confident136 Ų13696.6 Ų96.664%0.63652%0.515SS*.Hα-helixtrans-83.7-17.5178.3-67.5169.9-17300112.5K201 V202 A203K201-E205 VanDerWaalsContact CE-OE1 3.26Å; K201-E205 WeakPolarHBondContact CE-OE1 3.46Å; K201-E205 PolarHBondContact O-N 3.29Å; V202-E205 PolarHBondContact O-N 3.27Å; A203-E205 VanDerWaalsContact C-N 3.34Å
206T85.4Confident77.2Confident74 Ų7496.3 Ų96.345%0.45452%0.517SS..SBendtrans-76.3141.2177.5-52.60000110.4R139 V202 A203R139-T206 VanDerWaalsContact CZ-O 3.25Å; R139-T206 PolarHBondContact NH1-O 3.31Å; R139-T206 PolarHBondContact NH2-O 3.44Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 2.71Å; A203-T206 PolarHBondContact O-N 3.4Å
207A82.5Confident76.4Confident83 Ų83100.5 Ų100.569%0.68654%0.541SS*.PPolyproline II helixtrans-57.9148172.900000111
208L79.3Confident75.5Confident60 Ų60100.9 Ų100.931%0.31455%0.547SS..PPolyproline II helixtrans-67.9140.8171.2-72172.6000108.6V136 R139 K140V136-L208 HydrophobicContact CB-CD2 3.82Å; V136-L208 HydrophobicContact CG1-CD2 3.96Å; R139-L208 HydrophobicContact CB-CD1 4.12Å; R139-L208 HydrophobicContact CB-CD2 4.02Å; K140-L208 HydrophobicContact CG-CD1 4.43Å
209P73.4Confident74.4Confident70 Ų70100.1 Ų100.146%0.45555%0.548SS..PPolyproline II helixtrans-58.6143.9167.625.7-31.2000109.1
210D66.3Low73.2Confident142 Ų142102.4 Ų102.476%0.75956%0.561SS**PPolyproline II helixtrans-54.8147178.9-65.5-41.2000110.5D212D210-D212 PolarHBondContact O-N 3.36Å
211E58.7Low72Confident148 Ų148106.5 Ų106.569%0.69258%0.584SS**THydrogen-bonded Turntrans-61.8-10.4-169.1-70.2-171.7146.700114.7D213E211-D213 PolarHBondContact O-N 2.97Å; E211-D213 VanDerWaalsContact O-N 3.16Å
212D50.3Low70.6Confident159 Ų159105.1 Ų105.185%0.8559%0.587SS**THydrogen-bonded Turntrans-71.9-6.1-176.4-65.2-31000114.8D210 D214D210-D212 PolarHBondContact O-N 3.36Å; D212-D214 VanDerWaalsContact C-N 3.34Å; D212-D214 PolarHBondContact O-N 3.18Å
213D49.3Very low68.9Low135 Ų135109.2 Ų109.272%0.72261%0.608SS**  trans-93.647.6171.6-88.4-20.3000112.3E211 L215E211-D213 PolarHBondContact O-N 2.97Å; E211-D213 VanDerWaalsContact O-N 3.16Å; D213-L215 PolarHBondContact O-N 3.2Å
214D43.8Very low67.2Low138 Ų138117 Ų11774%0.73865%0.648SS**  trans-68111.1176.4-85.9-24.8000111.7D212D212-D214 VanDerWaalsContact C-N 3.34Å; D212-D214 PolarHBondContact O-N 3.18Å
215L42.7Very low65.4Low195 Ų195121.8 Ų121.8100%1.02167%0.666SS**  trans-90.50173.2-88.2169.6000113.7K98 D213K98-L215 WeakPolarHBondContact CE-OXT 2.73Å; D213-L215 PolarHBondContact O-N 3.2Å

Retrieved 215 of 215 residues in 70.5 ms (Link to these results)