G4VFX0_SCHMA Loading...

Putative tropinone reductase AlphaSync

AlphaFold DB , UniProt , Accession G4VFX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.3Confident94.7Very high243 Ų24360.2 Ų60.2100%1.19729%0.293SS*.  0138.60-136.5-179.5-70.800107.4
2I93.8Very high95Very high47 Ų4755.7 Ų55.724%0.24127%0.271CS..  trans-66.2135.8176.2-65.6169.9000108.1L29 A238 F239 A244I2-L29 HydrophobicContact CG2-CD1 3.94Å; I2-L29 WeakPolarHBondContact O-CD2 3.01Å; I2-A238 HydrophobicContact CG2-CB 4.45Å; I2-F239 HydrophobicContact CD1-CB 3.92Å; I2-A244 HydrophobicContact CG1-CB 4.44Å
3S95.3Very high95.3Very high65 Ų6552.7 Ų52.746%0.45526%0.264SS..  trans-137.6142.5172167.50000108.7S5S3-S5 PolarHBondContact OG-N 3.37Å; S3-S5 PolarHBondContact OG-OG 2.92Å; S3-S5 VanDerWaalsContact OG-OG 3.12Å
4L96.6Very high95.5Very high2 Ų248.9 Ų48.91%0.0125%0.245CC..  trans-122.723.3173.2-55.4177.5000110.6R6 K7 F26 L29 G30 A31 I95L4-R6 PolarHBondContact O-N 3.13Å; L4-K7 HydrophobicContact CB-CB 4.37Å; L4-K7 HydrophobicContact CB-CG 4.4Å; L4-K7 WeakPolarHBondContact O-CB 3.42Å; L4-K7 WeakPolarHBondContact O-CG 3.47Å; L4-K7 PolarHBondContact O-N 2.98Å; L4-K7 VanDerWaalsContact O-N 3.08Å; L4-F26 HydrophobicContact CD1-CB 4.28Å; L4-F26 HydrophobicContact CD1-CD1 3.56Å; L4-F26 HydrophobicContact CD1-CD2 3.93Å; L4-F26 HydrophobicContact CD1-CE1 3.78Å; L4-F26 HydrophobicContact CD1-CE2 4.14Å; L4-F26 HydrophobicContact CD1-CG 3.64Å; L4-F26 HydrophobicContact CD1-CZ 4.06Å; L4-L29 CarbonylContact C-O 3.42Å; L4-L29 WeakPolarHBondContact CA-O 3.43Å; L4-L29 HydrophobicContact CB-CB 4.09Å; L4-L29 HydrophobicContact CD1-CB 4.14Å; L4-L29 HydrophobicContact CD1-CD1 4.03Å; L4-L29 HydrophobicContact CG-CB 4Å; L4-L29 HydrophobicContact CG-CD1 4.25Å; L4-L29 PolarHBondContact N-O 3.42Å; L4-G30 CarbonylContact O-C 3.55Å; L4-A31 HydrophobicContact CB-CB 3.81Å; L4-A31 HydrophobicContact CD1-CB 4.39Å; L4-A31 WeakPolarHBondContact O-CA 3.39Å; L4-A31 PolarHBondContact O-N 3.42Å; L4-I95 HydrophobicContact CD1-CD1 4.32Å; L4-I95 HydrophobicContact CD2-CD1 3.91Å
5S94.7Very high95.6Very high37 Ų3746.3 Ų46.326%0.25923%0.233SC..THydrogen-bonded Turntrans-55.2136178.4-59.40000110.8S3 K7 L29 G30S3-S5 PolarHBondContact OG-N 3.37Å; S3-S5 PolarHBondContact OG-OG 2.92Å; S3-S5 VanDerWaalsContact OG-OG 3.12Å; S5-K7 PolarHBondContact O-N 3.47Å; S5-L29 PolarHBondContact N-O 3.14Å; S5-G30 WeakPolarHBondContact CA-O 3.23Å
6R93.4Very high95.7Very high189 Ų18944.5 Ų44.571%0.71323%0.226SC*.THydrogen-bonded Turntrans65.28.8-178.7-51.1179.1175.3-179-2.4115.1L4 G30 K61 Q92L4-R6 PolarHBondContact O-N 3.13Å; R6-G30 PolarHBondContact N-O 3.27Å; R6-K61 PolarHBondContact O-NZ 3.43Å; R6-Q92 PolarHBondContact O-NE2 3.38Å
7K96.6Very high95.8Very high77 Ų7743.2 Ų43.234%0.33523%0.227SC..  trans-88.7147.7174.6-57.9-63.8-180177.80111.4L4 S5 A31 C32 D94 I95L4-K7 HydrophobicContact CB-CB 4.37Å; L4-K7 HydrophobicContact CB-CG 4.4Å; L4-K7 WeakPolarHBondContact O-CB 3.42Å; L4-K7 WeakPolarHBondContact O-CG 3.47Å; L4-K7 PolarHBondContact O-N 2.98Å; L4-K7 VanDerWaalsContact O-N 3.08Å; S5-K7 PolarHBondContact O-N 3.47Å; K7-A31 HydrophobicContact CB-CB 4.47Å; K7-A31 CarbonylContact O-C 3.59Å; K7-A31 WeakPolarHBondContact O-CA 3.26Å; K7-C32 PolarHBondContact O-N 3.29Å; K7-D94 WeakPolarHBondContact CA-OD2 3.49Å; K7-D94 HydrophobicContact CB-CB 4.23Å; K7-D94 HydrophobicContact CD-CB 3.63Å; K7-D94 WeakPolarHBondContact CD-OD1 3.29Å; K7-D94 IonicContact NZ-OD1 2.81Å; K7-D94 PolarHBondContact NZ-OD1 3.39Å; K7-I95 HydrophobicContact CB-CD1 4.04Å; K7-I95 HydrophobicContact CG-CD1 4.49Å
8V98Very high95.9Very high1 Ų142 Ų421%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-114127.5171.7-179.20000108.6C32 F90 Q92 D94 I95V8-C32 WeakPolarHBondContact CA-O 3.46Å; V8-C32 HydrophobicContact CG2-CB 4.24Å; V8-F90 HydrophobicContact CB-CB 4.46Å; V8-F90 HydrophobicContact CG1-CB 3.64Å; V8-F90 HydrophobicContact CG1-CD1 4.18Å; V8-F90 HydrophobicContact CG1-CD2 3.64Å; V8-F90 HydrophobicContact CG1-CE2 4.34Å; V8-F90 HydrophobicContact CG1-CG 3.56Å; V8-F90 HydrophobicContact CG2-CB 4.09Å; V8-F90 HydrophobicContact CG2-CD1 4.39Å; V8-F90 HydrophobicContact CG2-CG 4.33Å; V8-Q92 HydrophobicContact CB-CB 4.49Å; V8-Q92 HydrophobicContact CB-CG 4.38Å; V8-Q92 WeakPolarHBondContact CB-O 3.25Å; V8-Q92 VanDerWaalsContact CG1-O 3.28Å; V8-Q92 WeakPolarHBondContact CG1-O 3.42Å; V8-Q92 HydrophobicContact CG2-CB 4.03Å; V8-Q92 HydrophobicContact CG2-CG 4.09Å; V8-D94 PolarHBondContact N-OD2 2.87Å; V8-D94 PolarHBondContact O-N 2.79Å; V8-I95 PolarHBondContact O-N 3.5Å; V8-I95 VanDerWaalsContact O-N 3.08Å
9A98.8Very high96Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-116.9143179.100000111.9I11 F26 C32 V33 A34 I95A9-I11 HydrophobicContact CB-CG1 4.49Å; A9-F26 HydrophobicContact CB-CD2 3.65Å; A9-F26 HydrophobicContact CB-CE2 3.84Å; A9-C32 PolarHBondContact N-O 3.11Å; A9-V33 CarbonylContact O-C 3.6Å; A9-V33 WeakPolarHBondContact O-CA 3.23Å; A9-A34 PolarHBondContact O-N 2.69Å; A9-I95 CarbonylContact C-O 3.54Å; A9-I95 WeakPolarHBondContact CA-O 3.33Å; A9-I95 HydrophobicContact CB-CB 3.92Å; A9-I95 HydrophobicContact CB-CG2 4.36Å
10I98.9Very high96.2Very high1 Ų142.4 Ų42.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-104128.4160.2-70.7168.6000107.8A34 I36 Y83 A86 L93 I95 L96 V97 L130I10-A34 HydrophobicContact CG1-CB 3.9Å; I10-I36 HydrophobicContact CG2-CD1 3.47Å; I10-I36 VanDerWaalsContact CG2-CD1 3.47Å; I10-I36 HydrophobicContact CG2-CG1 4.31Å; I10-Y83 HydrophobicContact CD1-CD2 4.11Å; I10-A86 HydrophobicContact CD1-CB 3.74Å; I10-A86 HydrophobicContact CG1-CB 3.91Å; I10-L93 HydrophobicContact CB-CD1 4.17Å; I10-L93 HydrophobicContact CD1-CD1 3.77Å; I10-L93 HydrophobicContact CD1-CD2 3.97Å; I10-L93 HydrophobicContact CG1-CD1 3.73Å; I10-I95 PolarHBondContact N-O 2.71Å; I10-L96 HydrophobicContact CB-CD1 4.02Å; I10-L96 HydrophobicContact CG2-CD1 3.88Å; I10-V97 PolarHBondContact O-N 3.41Å; I10-L130 HydrophobicContact CG2-CD2 4.25Å
11I98.9Very high96.3Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-124.6119.4176.1-54.7-179.1000109.3A9 A14 T22 A23 F26 V33 A34 I36 V97A9-I11 HydrophobicContact CB-CG1 4.49Å; I11-A14 HydrophobicContact CB-CB 4.36Å; I11-A14 HydrophobicContact CG2-CB 4.15Å; I11-T22 HydrophobicContact CD1-CG2 3.84Å; I11-A23 HydrophobicContact CD1-CB 4.05Å; I11-F26 HydrophobicContact CD1-CD2 3.94Å; I11-F26 HydrophobicContact CD1-CE2 4.26Å; I11-F26 HydrophobicContact CD1-CG 4.36Å; I11-V33 HydrophobicContact CB-CG1 4.33Å; I11-V33 HydrophobicContact CD1-CG1 3.64Å; I11-V33 HydrophobicContact CG1-CG1 3.8Å; I11-A34 PolarHBondContact N-O 3.42Å; I11-I36 PolarHBondContact O-N 2.96Å; I11-V97 HydrophobicContact CB-CB 4.44Å; I11-V97 HydrophobicContact CG1-CB 4.06Å; I11-V97 HydrophobicContact CG1-CG2 4.1Å; I11-V97 HydrophobicContact CG2-CB 4.28Å; I11-V97 HydrophobicContact CG2-CG1 4.48Å
12T98.8Very high97.4Very high6 Ų629.3 Ų29.34%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-88.9148.7174.5580000111.8A14 I36 L73 V97 N99 A100 L130T12-A14 PolarHBondContact O-N 2.83Å; T12-I36 CarbonylContact C-O 3.41Å; T12-I36 HydrophobicContact CG2-CB 4.38Å; T12-I36 HydrophobicContact CG2-CD1 4.39Å; T12-L73 HydrophobicContact CG2-CD1 3.81Å; T12-V97 PolarHBondContact N-O 3.42Å; T12-V97 VanDerWaalsContact N-O 3.13Å; T12-V97 PolarHBondContact OG1-O 3.3Å; T12-N99 WeakPolarHBondContact O-CB 3.32Å; T12-N99 PolarHBondContact O-ND2 3.06Å; T12-N99 PolarHBondContact OG1-N 3.29Å; T12-A100 PolarHBondContact O-N 3.32Å; T12-A100 PolarHBondContact OG1-N 3.47Å; T12-A100 VanDerWaalsContact OG1-N 3.1Å; T12-L130 HydrophobicContact CG2-CD2 3.44Å; T12-L130 VanDerWaalsContact CG2-CD2 3.44Å
13G98.2Very high97.6Very high17 Ų1727 Ų2718%0.17514%0.141CC..THydrogen-bonded Turntrans65.531.1-174.300000112.4S15 I36 N99G13-S15 PolarHBondContact O-N 3.45Å; G13-I36 PolarHBondContact N-O 3.19Å; G13-N99 PolarHBondContact O-ND2 3.34Å
14A98.4Very high97.8Very high0 Ų025.7 Ų25.70%013%0.128CC..THydrogen-bonded Turntrans-73.1-10.6-171.900000114.4I11 T12 S16 R20 L35 I36 L43 T46I11-A14 HydrophobicContact CB-CB 4.36Å; I11-A14 HydrophobicContact CG2-CB 4.15Å; T12-A14 PolarHBondContact O-N 2.83Å; A14-S16 VanDerWaalsContact C-N 3.33Å; A14-S16 PolarHBondContact O-N 3.39Å; A14-R20 WeakPolarHBondContact O-CA 3.38Å; A14-R20 WeakPolarHBondContact O-CB 3.24Å; A14-R20 PolarHBondContact O-N 2.95Å; A14-L35 HydrophobicContact CB-CB 3.86Å; A14-L35 HydrophobicContact CB-CD2 3.89Å; A14-I36 PolarHBondContact N-O 3.14Å; A14-I36 VanDerWaalsContact N-O 3.15Å; A14-L43 HydrophobicContact CB-CD2 4.14Å; A14-T46 WeakPolarHBondContact O-CG2 3.25Å; A14-T46 PolarHBondContact O-OG1 3.05Å
15S97.5Very high97.9Very high9 Ų926.6 Ų26.66%0.06313%0.133CC..THydrogen-bonded Turntrans-79-9.1-175.265.40000115.2G13 A37G13-S15 PolarHBondContact O-N 3.45Å; S15-A37 WeakPolarHBondContact OG-CB 3.21Å
16S96.8Very high98Very high18 Ų1824.9 Ų24.913%0.12612%0.121CC..SBendtrans-160.1166.1-178.457.50000112.9A14 G19 R20 R203A14-S16 VanDerWaalsContact C-N 3.33Å; A14-S16 PolarHBondContact O-N 3.39Å; S16-G19 PolarHBondContact O-N 2.99Å; S16-R20 PolarHBondContact O-N 3.21Å; S16-R203 PolarHBondContact OG-NH1 3.01Å
17G97Very high98.2Very high23 Ų2315.9 Ų15.924%0.2379%0.087CC..Hα-helixtrans57.1-136.8170.400000113.9G19 R20 A21G17-G19 VanDerWaalsContact C-N 3.34Å; G17-G19 PolarHBondContact O-N 3.41Å; G17-R20 PolarHBondContact O-N 3.13Å; G17-A21 PolarHBondContact O-N 3.49Å
18I98.4Very high98.3Very high21 Ų2118 Ų1811%0.10810%0.096CC..Hα-helixtrans-59.2-42.6-177.4-65163.7000111.5R20 A21 T22 N99 V148 P193 I196 T198 V230 V233 I237I18-R20 PolarHBondContact O-N 2.67Å; I18-A21 PolarHBondContact O-N 3.41Å; I18-T22 WeakPolarHBondContact O-CB 3.37Å; I18-T22 PolarHBondContact O-N 3.46Å; I18-T22 PolarHBondContact O-OG1 3.3Å; I18-N99 WeakPolarHBondContact CB-OD1 3.41Å; I18-N99 WeakPolarHBondContact CG2-OD1 3.44Å; I18-V148 HydrophobicContact CD1-CG1 4.3Å; I18-V148 HydrophobicContact CG2-CG1 4.45Å; I18-P193 HydrophobicContact CD1-CG 4.13Å; I18-I196 HydrophobicContact CD1-CG1 4.43Å; I18-I196 HydrophobicContact CG1-CG2 4.33Å; I18-T198 HydrophobicContact CG1-CG2 4.35Å; I18-V230 HydrophobicContact CG1-CG1 4.21Å; I18-V233 HydrophobicContact CD1-CB 4.39Å; I18-V233 HydrophobicContact CD1-CG1 4.14Å; I18-V233 HydrophobicContact CD1-CG2 4.23Å; I18-V233 HydrophobicContact CG1-CB 4.2Å; I18-V233 HydrophobicContact CG1-CG1 4.28Å; I18-V233 HydrophobicContact CG1-CG2 4.35Å; I18-V233 HydrophobicContact CG2-CB 4.06Å; I18-V233 HydrophobicContact CG2-CG1 3.59Å; I18-I237 HydrophobicContact CG2-CD1 3.7Å
19G98.6Very high98.2Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-61.4-45.3179.500000112.5S16 G17 T22 A23 N99S16-G19 PolarHBondContact O-N 2.99Å; G17-G19 VanDerWaalsContact C-N 3.34Å; G17-G19 PolarHBondContact O-N 3.41Å; G19-T22 PolarHBondContact O-N 2.81Å; G19-A23 PolarHBondContact O-N 3.31Å; G19-N99 WeakPolarHBondContact CA-ND2 3.45Å; G19-N99 PolarHBondContact N-ND2 2.92Å; G19-N99 PolarHBondContact N-OD1 2.87Å
20R98.6Very high98.1Very high91 Ų9119.4 Ų19.434%0.34310%0.104SC..Hα-helixtrans-61.6-48.2175.5178172.5-176.3-82.20.4111.9A14 S16 G17 I18 T22 A23 I24 T46A14-R20 WeakPolarHBondContact O-CA 3.38Å; A14-R20 WeakPolarHBondContact O-CB 3.24Å; A14-R20 PolarHBondContact O-N 2.95Å; S16-R20 PolarHBondContact O-N 3.21Å; G17-R20 PolarHBondContact O-N 3.13Å; I18-R20 PolarHBondContact O-N 2.67Å; R20-T22 VanDerWaalsContact C-N 3.28Å; R20-T22 PolarHBondContact O-N 3.43Å; R20-A23 PolarHBondContact O-N 3.49Å; R20-I24 HydrophobicContact CG-CD1 3.88Å; R20-I24 WeakPolarHBondContact O-CG1 3.49Å; R20-I24 PolarHBondContact O-N 3.39Å; R20-T46 HydrophobicContact CB-CG2 4.39Å; R20-T46 WeakPolarHBondContact CD-OG1 3.35Å; R20-T46 HydrophobicContact CG-CG2 3.86Å; R20-T46 WeakPolarHBondContact CG-OG1 3.43Å
21A98.7Very high98.1Very high11 Ų1119.4 Ų19.49%0.09110%0.104CC..Hα-helixtrans-62.3-38.2178.700000112G17 I18 I24 L25 V230 A234G17-A21 PolarHBondContact O-N 3.49Å; I18-A21 PolarHBondContact O-N 3.41Å; A21-I24 PolarHBondContact O-N 3.02Å; A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 3.23Å; A21-V230 HydrophobicContact CB-CB 3.7Å; A21-V230 HydrophobicContact CB-CG2 3.59Å; A21-A234 HydrophobicContact CB-CB 4.12Å
22T98.9Very high98Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-63.9-46.1175.6-55.60000111.1I11 I18 G19 R20 I24 L25 F26 I237I11-T22 HydrophobicContact CD1-CG2 3.84Å; I18-T22 WeakPolarHBondContact O-CB 3.37Å; I18-T22 PolarHBondContact O-N 3.46Å; I18-T22 PolarHBondContact O-OG1 3.3Å; G19-T22 PolarHBondContact O-N 2.81Å; R20-T22 VanDerWaalsContact C-N 3.28Å; R20-T22 PolarHBondContact O-N 3.43Å; T22-I24 PolarHBondContact O-N 3.36Å; T22-L25 PolarHBondContact O-N 2.73Å; T22-F26 HydrophobicContact CG2-CD1 3.86Å; T22-F26 HydrophobicContact CG2-CE1 3.54Å; T22-F26 HydrophobicContact CG2-CE2 4.37Å; T22-F26 HydrophobicContact CG2-CG 4.41Å; T22-F26 HydrophobicContact CG2-CZ 3.83Å; T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 VanDerWaalsContact O-CD1 3.23Å; T22-F26 WeakPolarHBondContact O-CD1 3.49Å; T22-F26 WeakPolarHBondContact O-CG 3.3Å; T22-F26 PolarHBondContact O-N 3.04Å; T22-I237 HydrophobicContact CG2-CB 4.19Å; T22-I237 HydrophobicContact CG2-CD1 4.31Å; T22-I237 HydrophobicContact CG2-CG2 3.62Å; T22-I237 WeakPolarHBondContact OG1-CD1 3.26Å
23A98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-58.4-47.8176.800000112.5I11 G19 R20 L25 F26 A27 V33 L35 T46I11-A23 HydrophobicContact CD1-CB 4.05Å; G19-A23 PolarHBondContact O-N 3.31Å; R20-A23 PolarHBondContact O-N 3.49Å; A23-L25 PolarHBondContact O-N 2.85Å; A23-F26 PolarHBondContact O-N 3.13Å; A23-A27 PolarHBondContact O-N 3.14Å; A23-V33 HydrophobicContact CB-CG1 4.47Å; A23-L35 HydrophobicContact CB-CD2 3.4Å; A23-L35 VanDerWaalsContact CB-CD2 3.4Å; A23-T46 HydrophobicContact CB-CG2 4.04Å
24I98.7Very high98Very high36 Ų3618.4 Ų18.419%0.18510%0.095CC..Hα-helixtrans-62.6-43.5178.6-65.9167.8000110.7R20 A21 T22 A27 K28 A49 I53R20-I24 HydrophobicContact CG-CD1 3.88Å; R20-I24 WeakPolarHBondContact O-CG1 3.49Å; R20-I24 PolarHBondContact O-N 3.39Å; A21-I24 PolarHBondContact O-N 3.02Å; T22-I24 PolarHBondContact O-N 3.36Å; I24-A27 PolarHBondContact O-N 3.06Å; I24-K28 PolarHBondContact O-N 3.21Å; I24-A49 HydrophobicContact CD1-CB 3.71Å; I24-A49 HydrophobicContact CG1-CB 3.94Å; I24-I53 HydrophobicContact CG2-CG2 3.77Å
25L98.5Very high98.1Very high22 Ų2218.4 Ų18.412%0.11510%0.095CC..Hα-helixtrans-64.9-40.9176.4-179.859.6000111.6A21 T22 A23 A27 K28 L29 A234 Q235 A238A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 3.23Å; T22-L25 PolarHBondContact O-N 2.73Å; A23-L25 PolarHBondContact O-N 2.85Å; L25-A27 PolarHBondContact O-N 3.22Å; L25-K28 WeakPolarHBondContact O-CB 3.21Å; L25-K28 PolarHBondContact O-N 3.47Å; L25-L29 HydrophobicContact CD1-CD1 4.06Å; L25-L29 HydrophobicContact CD1-CG 4.15Å; L25-L29 HydrophobicContact CG-CD1 3.88Å; L25-L29 HydrophobicContact CG-CG 4.38Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 VanDerWaalsContact O-CG 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.44Å; L25-A234 HydrophobicContact CB-CB 4.44Å; L25-A234 HydrophobicContact CD2-CB 3.93Å; L25-A234 WeakPolarHBondContact CD2-O 3.19Å; L25-Q235 HydrophobicContact CD2-CG 4.23Å; L25-A238 HydrophobicContact CD2-CB 3.86Å; L25-A238 HydrophobicContact CG-CB 4.45Å
26F98.3Very high98.1Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-63.8-41.3178.4-8531.7000111.7L4 A9 I11 T22 A23 K28 L29 G30 A31 V33 I95 V97 I237 A238 S241L4-F26 HydrophobicContact CD1-CB 4.28Å; L4-F26 HydrophobicContact CD1-CD1 3.56Å; L4-F26 HydrophobicContact CD1-CD2 3.93Å; L4-F26 HydrophobicContact CD1-CE1 3.78Å; L4-F26 HydrophobicContact CD1-CE2 4.14Å; L4-F26 HydrophobicContact CD1-CG 3.64Å; L4-F26 HydrophobicContact CD1-CZ 4.06Å; A9-F26 HydrophobicContact CB-CD2 3.65Å; A9-F26 HydrophobicContact CB-CE2 3.84Å; I11-F26 HydrophobicContact CD1-CD2 3.94Å; I11-F26 HydrophobicContact CD1-CE2 4.26Å; I11-F26 HydrophobicContact CD1-CG 4.36Å; T22-F26 HydrophobicContact CG2-CD1 3.86Å; T22-F26 HydrophobicContact CG2-CE1 3.54Å; T22-F26 HydrophobicContact CG2-CE2 4.37Å; T22-F26 HydrophobicContact CG2-CG 4.41Å; T22-F26 HydrophobicContact CG2-CZ 3.83Å; T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 VanDerWaalsContact O-CD1 3.23Å; T22-F26 WeakPolarHBondContact O-CD1 3.49Å; T22-F26 WeakPolarHBondContact O-CG 3.3Å; T22-F26 PolarHBondContact O-N 3.04Å; A23-F26 PolarHBondContact O-N 3.13Å; F26-K28 PolarHBondContact O-N 2.81Å; F26-L29 CarbonylContact O-C 3.37Å; F26-L29 PolarHBondContact O-N 2.94Å; F26-L29 VanDerWaalsContact O-N 3.14Å; F26-G30 PolarHBondContact O-N 3.09Å; F26-G30 VanDerWaalsContact O-N 3.11Å; F26-A31 HydrophobicContact CB-CB 4.14Å; F26-A31 PolarHBondContact O-N 2.96Å; F26-V33 HydrophobicContact CB-CG2 3.93Å; F26-I95 HydrophobicContact CE2-CD1 4.21Å; F26-I95 HydrophobicContact CE2-CG2 3.82Å; F26-I95 HydrophobicContact CZ-CG2 4.28Å; F26-V97 HydrophobicContact CE2-CG2 3.97Å; F26-V97 HydrophobicContact CZ-CG2 4.03Å; F26-I237 HydrophobicContact CE1-CG2 4.12Å; F26-I237 HydrophobicContact CZ-CG2 3.89Å; F26-A238 HydrophobicContact CD1-CB 4.47Å; F26-A238 HydrophobicContact CE1-CB 3.97Å; F26-S241 WeakPolarHBondContact CZ-OG 3.39Å
27A97.9Very high98.2Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-58-47.2172.200000111.7A23 I24 L25 L29 G30 C50 S54 H55 F66A23-A27 PolarHBondContact O-N 3.14Å; I24-A27 PolarHBondContact O-N 3.06Å; L25-A27 PolarHBondContact O-N 3.22Å; A27-L29 PolarHBondContact O-N 2.93Å; A27-G30 PolarHBondContact O-N 3.48Å; A27-G30 VanDerWaalsContact O-N 3.11Å; A27-C50 HydrophobicContact CB-CB 3.68Å; A27-S54 WeakPolarHBondContact O-CA 3.22Å; A27-H55 PolarHBondContact O-N 3.2Å; A27-F66 HydrophobicContact CB-CD1 4.37Å; A27-F66 HydrophobicContact CB-CE1 3.38Å; A27-F66 HydrophobicContact CB-CE2 4.45Å; A27-F66 HydrophobicContact CB-CZ 3.44Å; A27-F66 VanDerWaalsContact CB-CZ 3.44Å
28K97.3Very high98.2Very high121 Ų12123.2 Ų23.253%0.52610%0.103SC..Hα-helixtrans-60.8-33175.7-174.7178.4-179.9176.90112.8I24 L25 F26 G30 I53I24-K28 PolarHBondContact O-N 3.21Å; L25-K28 WeakPolarHBondContact O-CB 3.21Å; L25-K28 PolarHBondContact O-N 3.47Å; F26-K28 PolarHBondContact O-N 2.81Å; K28-G30 VanDerWaalsContact C-N 3.32Å; K28-I53 WeakPolarHBondContact CA-O 3.42Å; K28-I53 HydrophobicContact CB-CG1 4.34Å; K28-I53 HydrophobicContact CB-CG2 4.23Å; K28-I53 HydrophobicContact CD-CD1 4.34Å; K28-I53 HydrophobicContact CD-CG1 4.17Å; K28-I53 HydrophobicContact CG-CG1 4.22Å
29L97Very high98.1Very high31 Ų3125.1 Ų25.116%0.16211%0.113CC..THydrogen-bonded Turntrans-85.71.1178.8-65.4173.4000113.7I2 L4 S5 L25 F26 A27 A238I2-L29 HydrophobicContact CG2-CD1 3.94Å; I2-L29 WeakPolarHBondContact O-CD2 3.01Å; L4-L29 CarbonylContact C-O 3.42Å; L4-L29 WeakPolarHBondContact CA-O 3.43Å; L4-L29 HydrophobicContact CB-CB 4.09Å; L4-L29 HydrophobicContact CD1-CB 4.14Å; L4-L29 HydrophobicContact CD1-CD1 4.03Å; L4-L29 HydrophobicContact CG-CB 4Å; L4-L29 HydrophobicContact CG-CD1 4.25Å; L4-L29 PolarHBondContact N-O 3.42Å; S5-L29 PolarHBondContact N-O 3.14Å; L25-L29 HydrophobicContact CD1-CD1 4.06Å; L25-L29 HydrophobicContact CD1-CG 4.15Å; L25-L29 HydrophobicContact CG-CD1 3.88Å; L25-L29 HydrophobicContact CG-CG 4.38Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 VanDerWaalsContact O-CG 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.44Å; F26-L29 CarbonylContact O-C 3.37Å; F26-L29 PolarHBondContact O-N 2.94Å; F26-L29 VanDerWaalsContact O-N 3.14Å; A27-L29 PolarHBondContact O-N 2.93Å; L29-A238 HydrophobicContact CD1-CB 3.75Å
30G96.6Very high98Very high1 Ų131.7 Ų31.71%0.0114%0.142CC..THydrogen-bonded Turntrans91.915.2173.300000116.3L4 S5 R6 F26 A27 K28L4-G30 CarbonylContact O-C 3.55Å; S5-G30 WeakPolarHBondContact CA-O 3.23Å; R6-G30 PolarHBondContact N-O 3.27Å; F26-G30 PolarHBondContact O-N 3.09Å; F26-G30 VanDerWaalsContact O-N 3.11Å; A27-G30 PolarHBondContact O-N 3.48Å; A27-G30 VanDerWaalsContact O-N 3.11Å; K28-G30 VanDerWaalsContact C-N 3.32Å
31A97.6Very high98Very high0 Ų031.1 Ų31.10%015%0.152CC..  trans-86.2144.3174.300000112.1L4 K7 F26 V33 V58L4-A31 HydrophobicContact CB-CB 3.81Å; L4-A31 HydrophobicContact CD1-CB 4.39Å; L4-A31 WeakPolarHBondContact O-CA 3.39Å; L4-A31 PolarHBondContact O-N 3.42Å; K7-A31 HydrophobicContact CB-CB 4.47Å; K7-A31 CarbonylContact O-C 3.59Å; K7-A31 WeakPolarHBondContact O-CA 3.26Å; F26-A31 HydrophobicContact CB-CB 4.14Å; F26-A31 PolarHBondContact O-N 2.96Å; A31-V33 HydrophobicContact CB-CG2 4.48Å; A31-V58 WeakPolarHBondContact O-CG2 3.4Å
32C98.2Very high97.9Very high3 Ų334.1 Ų34.12%0.0216%0.161CC..EExtended strand (participates in β ladder)trans-78.3146.2158.6-61.40000109.3K7 V8 A9 V58 H62 P65 F90K7-C32 PolarHBondContact O-N 3.29Å; V8-C32 WeakPolarHBondContact CA-O 3.46Å; V8-C32 HydrophobicContact CG2-CB 4.24Å; A9-C32 PolarHBondContact N-O 3.11Å; C32-V58 VanDerWaalsContact SG-CG2 3.58Å; C32-H62 PolarHBondContact SG-CD2 3.11Å; C32-P65 CarbonylContact C-O 3.59Å; C32-P65 WeakPolarHBondContact CA-O 3.48Å; C32-P65 HydrophobicContact CB-CB 4.35Å; C32-P65 WeakPolarHBondContact CB-O 3.46Å; C32-F90 HydrophobicContact CB-CD1 4.08Å; C32-F90 HydrophobicContact CB-CE1 3.66Å; C32-F90 HydrophobicContact CB-CZ 4.23Å
33V98.6Very high97.9Very high0 Ų034.1 Ų34.10%016%0.161CC..EExtended strand (participates in β ladder)trans-138.3124-172.2-167.40000111.7A9 I11 A23 F26 A31 L35 P65 F66 L67A9-V33 CarbonylContact O-C 3.6Å; A9-V33 WeakPolarHBondContact O-CA 3.23Å; I11-V33 HydrophobicContact CB-CG1 4.33Å; I11-V33 HydrophobicContact CD1-CG1 3.64Å; I11-V33 HydrophobicContact CG1-CG1 3.8Å; A23-V33 HydrophobicContact CB-CG1 4.47Å; F26-V33 HydrophobicContact CB-CG2 3.93Å; A31-V33 HydrophobicContact CB-CG2 4.48Å; V33-L35 HydrophobicContact CB-CD2 4.2Å; V33-L35 HydrophobicContact CG1-CD2 3.58Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; V33-P65 PolarHBondContact N-O 3.49Å; V33-F66 HydrophobicContact CB-CD1 4.2Å; V33-F66 HydrophobicContact CG2-CD1 4.27Å; V33-F66 HydrophobicContact CG2-CE1 4.35Å; V33-F66 CarbonylContact O-C 3.36Å; V33-F66 VanDerWaalsContact O-CA 3.31Å; V33-F66 WeakPolarHBondContact O-CA 2.96Å; V33-L67 PolarHBondContact O-N 3.36Å
34A98.8Very high97.9Very high0 Ų037 Ų370%017%0.174CC..EExtended strand (participates in β ladder)trans-83.1117.4159.200000109.6A9 I10 I11 L67 I69 A86 F90A9-A34 PolarHBondContact O-N 2.69Å; I10-A34 HydrophobicContact CG1-CB 3.9Å; I11-A34 PolarHBondContact N-O 3.42Å; A34-L67 CarbonylContact C-O 3.01Å; A34-L67 WeakPolarHBondContact CA-O 3.19Å; A34-I69 HydrophobicContact CB-CD1 4.2Å; A34-A86 HydrophobicContact CB-CB 3.73Å; A34-F90 HydrophobicContact CB-CE2 3.98Å
35L98.8Very high97.9Very high0 Ų040.1 Ų40.10%019%0.188CC..EExtended strand (participates in β ladder)trans-97.8108-177.8-52.2169.9000108.7A14 A23 V33 L43 T46 R47 L67 I69A14-L35 HydrophobicContact CB-CB 3.86Å; A14-L35 HydrophobicContact CB-CD2 3.89Å; A23-L35 HydrophobicContact CB-CD2 3.4Å; A23-L35 VanDerWaalsContact CB-CD2 3.4Å; V33-L35 HydrophobicContact CB-CD2 4.2Å; V33-L35 HydrophobicContact CG1-CD2 3.58Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; L35-L43 HydrophobicContact CB-CD2 3.67Å; L35-T46 HydrophobicContact CD1-CG2 4.26Å; L35-T46 HydrophobicContact CD2-CG2 4.27Å; L35-R47 HydrophobicContact CD1-CB 4.04Å; L35-L67 PolarHBondContact N-O 2.95Å; L35-I69 PolarHBondContact O-N 3.41Å
36I98.8Very high97.9Very high1 Ų139 Ų391%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-108.4124.2-177.6-53.7177000110.3I10 I11 T12 G13 A14 I69 A71 L73 A82I10-I36 HydrophobicContact CG2-CD1 3.47Å; I10-I36 VanDerWaalsContact CG2-CD1 3.47Å; I10-I36 HydrophobicContact CG2-CG1 4.31Å; I11-I36 PolarHBondContact O-N 2.96Å; T12-I36 CarbonylContact C-O 3.41Å; T12-I36 HydrophobicContact CG2-CB 4.38Å; T12-I36 HydrophobicContact CG2-CD1 4.39Å; G13-I36 PolarHBondContact N-O 3.19Å; A14-I36 PolarHBondContact N-O 3.14Å; A14-I36 VanDerWaalsContact N-O 3.15Å; I36-I69 WeakPolarHBondContact CA-O 3.49Å; I36-I69 HydrophobicContact CG1-CB 4.21Å; I36-I69 HydrophobicContact CG1-CD1 4.38Å; I36-A71 HydrophobicContact CG2-CB 3.91Å; I36-L73 HydrophobicContact CG2-CD2 4.19Å; I36-A82 HydrophobicContact CD1-CB 4.01Å; I36-A82 HydrophobicContact CG2-CB 4.32Å
37A98.3Very high97.9Very high7 Ų742 Ų426%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-165.4173.6170.100000110.8S15 L43 I69 E70 A71S15-A37 WeakPolarHBondContact OG-CB 3.21Å; A37-L43 HydrophobicContact CB-CD1 4.12Å; A37-L43 HydrophobicContact CB-CD2 3.77Å; A37-L43 HydrophobicContact CB-CG 3.91Å; A37-I69 PolarHBondContact N-O 3.42Å; A37-E70 VanDerWaalsContact O-CA 3.25Å; A37-E70 WeakPolarHBondContact O-CA 3.38Å; A37-A71 CarbonylContact C-O 3.58Å; A37-A71 PolarHBondContact O-N 3.42Å
38R97.2Very high97.9Very high142 Ų14245.6 Ų45.654%0.53621%0.21SC..SBendtrans-78.4-31.3176.2-62.7175.9-62.3-174.41.4114K40 A71 D72R38-K40 PolarHBondContact O-N 3.01Å; R38-A71 WeakPolarHBondContact CG-O 3.48Å; R38-A71 PolarHBondContact N-O 3.03Å; R38-D72 HydrophobicContact CG-CB 4.09Å
39D96.5Very high98Very high61 Ų6140.6 Ų40.633%0.32619%0.192SC..  trans-92.297.9-172.9-173.5-29.5000110.3S41 R42 L43D39-S41 VanDerWaalsContact C-N 3.32Å; D39-S41 PolarHBondContact O-N 2.97Å; D39-S41 PolarHBondContact OD1-N 2.9Å; D39-S41 VanDerWaalsContact OD1-N 3.14Å; D39-R42 HydrophobicContact CB-CB 4.2Å; D39-R42 HydrophobicContact CB-CG 4.46Å; D39-R42 PolarHBondContact O-N 2.49Å; D39-R42 PolarHBondContact OD1-N 3Å; D39-R42 WeakPolarHBondContact OD2-CD 3.41Å; D39-R42 VanDerWaalsContact OD2-CG 3.24Å; D39-R42 WeakPolarHBondContact OD2-CG 3.39Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.37Å
40K96.3Very high98Very high139 Ų13939.1 Ų39.160%0.60418%0.184SC*.Hα-helixtrans-62.4-36-178.3-170.9176.1-178.3176.20113.2R38 L43 E44R38-K40 PolarHBondContact O-N 3.01Å; K40-L43 PolarHBondContact O-N 3.36Å; K40-E44 PolarHBondContact O-N 3.46Å
41S97.9Very high98.1Very high78 Ų7842 Ų4255%0.54520%0.198SC..Hα-helixtrans-64.6-48.1178.4-172.90000110.6D39 L43 E44 E45D39-S41 VanDerWaalsContact C-N 3.32Å; D39-S41 PolarHBondContact O-N 2.97Å; D39-S41 PolarHBondContact OD1-N 2.9Å; D39-S41 VanDerWaalsContact OD1-N 3.14Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.09Å; S41-E44 WeakPolarHBondContact O-CB 3.32Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact O-N 3.12Å; S41-E45 PolarHBondContact O-N 2.81Å
42R97.8Very high98Very high74 Ų7449.7 Ų49.728%0.27923%0.234SC..Hα-helixtrans-72.4-26.4179.6-64.3-174.697.4-173.712.6113.2D39 T46D39-R42 HydrophobicContact CB-CB 4.2Å; D39-R42 HydrophobicContact CB-CG 4.46Å; D39-R42 PolarHBondContact O-N 2.49Å; D39-R42 PolarHBondContact OD1-N 3Å; D39-R42 WeakPolarHBondContact OD2-CD 3.41Å; D39-R42 VanDerWaalsContact OD2-CG 3.24Å; D39-R42 WeakPolarHBondContact OD2-CG 3.39Å; R42-T46 WeakPolarHBondContact O-CB 3.31Å; R42-T46 PolarHBondContact O-N 2.66Å; R42-T46 PolarHBondContact O-OG1 2.91Å
43L98.2Very high98Very high0 Ų053.3 Ų53.30%025%0.253CS..Hα-helixtrans-62.4-45167-79.3176.2000110.8A14 L35 A37 D39 K40 S41 T46 R47 C68 I69A14-L43 HydrophobicContact CB-CD2 4.14Å; L35-L43 HydrophobicContact CB-CD2 3.67Å; A37-L43 HydrophobicContact CB-CD1 4.12Å; A37-L43 HydrophobicContact CB-CD2 3.77Å; A37-L43 HydrophobicContact CB-CG 3.91Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.37Å; K40-L43 PolarHBondContact O-N 3.36Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.09Å; L43-T46 CarbonylContact O-C 3.58Å; L43-T46 WeakPolarHBondContact O-CA 3.39Å; L43-T46 WeakPolarHBondContact O-CB 3.49Å; L43-T46 PolarHBondContact O-N 2.82Å; L43-T46 VanDerWaalsContact O-N 3.11Å; L43-R47 PolarHBondContact O-N 2.87Å; L43-C68 HydrophobicContact CB-CB 4.23Å; L43-I69 WeakPolarHBondContact CD1-O 3.21Å
44E98.4Very high97.8Very high61 Ų6154.4 Ų54.429%0.28526%0.26SS..Hα-helixtrans-63.7-43178.3-173.553.1-142.900112.1K40 S41 T46 R47 Q48K40-E44 PolarHBondContact O-N 3.46Å; S41-E44 WeakPolarHBondContact O-CB 3.32Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact O-N 3.12Å; E44-T46 PolarHBondContact O-N 3.06Å; E44-R47 VanDerWaalsContact CD-NE 3.25Å; E44-R47 VanDerWaalsContact CD-NH2 3.26Å; E44-R47 WeakPolarHBondContact O-CB 3.3Å; E44-R47 PolarHBondContact O-N 3.06Å; E44-R47 VanDerWaalsContact O-N 3.11Å; E44-R47 IonicContact OE1-CZ 3.4Å; E44-R47 IonicContact OE1-NE 2.68Å; E44-R47 PolarHBondContact OE1-NE 3.31Å; E44-R47 IonicContact OE1-NH2 3.9Å; E44-R47 PolarHBondContact OE1-NH2 2.88Å; E44-R47 IonicContact OE2-CZ 3.2Å; E44-R47 VanDerWaalsContact OE2-CZ 3.24Å; E44-R47 IonicContact OE2-NE 2.89Å; E44-R47 PolarHBondContact OE2-NE 3.12Å; E44-R47 IonicContact OE2-NH2 2.68Å; E44-R47 PolarHBondContact OE2-NH2 3.36Å; E44-Q48 WeakPolarHBondContact O-CG 3.46Å; E44-Q48 PolarHBondContact O-N 2.95Å; E44-Q48 PolarHBondContact OE1-NE2 2.78Å
45E98.5Very high97.4Very high101 Ų10157.7 Ų57.747%0.47228%0.275SS..Hα-helixtrans-57.2-39.1171.7-69.6168.1-154.300112.2S41 A49S41-E45 PolarHBondContact O-N 2.81Å; E45-A49 PolarHBondContact O-N 3.08Å; E45-A49 VanDerWaalsContact O-N 3.12Å
46T98.7Very high96.9Very high0 Ų062.3 Ų62.30%031%0.305CS..Hα-helixtrans-68.4-41.6175.8-58.90000111.3A14 R20 A23 L35 R42 L43 E44 Q48 A49 C50A14-T46 WeakPolarHBondContact O-CG2 3.25Å; A14-T46 PolarHBondContact O-OG1 3.05Å; R20-T46 HydrophobicContact CB-CG2 4.39Å; R20-T46 WeakPolarHBondContact CD-OG1 3.35Å; R20-T46 HydrophobicContact CG-CG2 3.86Å; R20-T46 WeakPolarHBondContact CG-OG1 3.43Å; A23-T46 HydrophobicContact CB-CG2 4.04Å; L35-T46 HydrophobicContact CD1-CG2 4.26Å; L35-T46 HydrophobicContact CD2-CG2 4.27Å; R42-T46 WeakPolarHBondContact O-CB 3.31Å; R42-T46 PolarHBondContact O-N 2.66Å; R42-T46 PolarHBondContact O-OG1 2.91Å; L43-T46 CarbonylContact O-C 3.58Å; L43-T46 WeakPolarHBondContact O-CA 3.39Å; L43-T46 WeakPolarHBondContact O-CB 3.49Å; L43-T46 PolarHBondContact O-N 2.82Å; L43-T46 VanDerWaalsContact O-N 3.11Å; E44-T46 PolarHBondContact O-N 3.06Å; T46-Q48 PolarHBondContact O-N 2.99Å; T46-A49 PolarHBondContact O-N 2.93Å; T46-C50 PolarHBondContact O-N 2.79Å; T46-C50 PolarHBondContact O-SG 2.94Å
47R98.6Very high96.4Very high62 Ų6265.5 Ų65.523%0.23432%0.323CS..Hα-helixtrans-57.8-48.2175.1-171.5178.973145.50.1111.2L35 L43 E44 A49 C50 I51 E64 F66L35-R47 HydrophobicContact CD1-CB 4.04Å; L43-R47 PolarHBondContact O-N 2.87Å; E44-R47 VanDerWaalsContact CD-NE 3.25Å; E44-R47 VanDerWaalsContact CD-NH2 3.26Å; E44-R47 WeakPolarHBondContact O-CB 3.3Å; E44-R47 PolarHBondContact O-N 3.06Å; E44-R47 VanDerWaalsContact O-N 3.11Å; E44-R47 IonicContact OE1-CZ 3.4Å; E44-R47 IonicContact OE1-NE 2.68Å; E44-R47 PolarHBondContact OE1-NE 3.31Å; E44-R47 IonicContact OE1-NH2 3.9Å; E44-R47 PolarHBondContact OE1-NH2 2.88Å; E44-R47 IonicContact OE2-CZ 3.2Å; E44-R47 VanDerWaalsContact OE2-CZ 3.24Å; E44-R47 IonicContact OE2-NE 2.89Å; E44-R47 PolarHBondContact OE2-NE 3.12Å; E44-R47 IonicContact OE2-NH2 2.68Å; E44-R47 PolarHBondContact OE2-NH2 3.36Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 2.84Å; R47-C50 WeakPolarHBondContact O-CB 3.35Å; R47-C50 PolarHBondContact O-N 3.47Å; R47-C50 VanDerWaalsContact O-N 3.11Å; R47-I51 HydrophobicContact CG-CD1 4.15Å; R47-I51 WeakPolarHBondContact O-CG1 3.4Å; R47-I51 PolarHBondContact O-N 3.18Å; R47-E64 IonicContact NH1-OE1 2.86Å; R47-E64 PolarHBondContact NH1-OE1 3.02Å; R47-F66 WeakPolarHBondContact CD-O 3.24Å; R47-F66 HydrophobicContact CG-CB 3.81Å
48Q98.4Very high95.9Very high76 Ų7665.4 Ų65.436%0.35532%0.321SS..Hα-helixtrans-60.7-42.5177.7-66.2-54.8-39.500112.1E44 T46 C50 I51 Q52E44-Q48 WeakPolarHBondContact O-CG 3.46Å; E44-Q48 PolarHBondContact O-N 2.95Å; E44-Q48 PolarHBondContact OE1-NE2 2.78Å; T46-Q48 PolarHBondContact O-N 2.99Å; Q48-C50 VanDerWaalsContact C-N 3.31Å; Q48-C50 PolarHBondContact O-N 3.35Å; Q48-I51 PolarHBondContact O-N 3.36Å; Q48-Q52 VanDerWaalsContact O-CG 3.31Å; Q48-Q52 WeakPolarHBondContact O-CG 3.17Å; Q48-Q52 PolarHBondContact O-N 3.31Å
49A98.4Very high95.3Very high16 Ų1662.9 Ų62.913%0.13231%0.312CS..Hα-helixtrans-63.3-35.617500000112.7I24 E45 T46 R47I24-A49 HydrophobicContact CD1-CB 3.71Å; I24-A49 HydrophobicContact CG1-CB 3.94Å; E45-A49 PolarHBondContact O-N 3.08Å; E45-A49 VanDerWaalsContact O-N 3.12Å; T46-A49 PolarHBondContact O-N 2.93Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 2.84Å
50C98.3Very high94.5Very high0 Ų067.2 Ų67.20%033%0.33CS..Hα-helixtrans-65.3-47.2174.1-65.40000111.4A27 T46 R47 Q48 Q52 I53 S54 F66A27-C50 HydrophobicContact CB-CB 3.68Å; T46-C50 PolarHBondContact O-N 2.79Å; T46-C50 PolarHBondContact O-SG 2.94Å; R47-C50 WeakPolarHBondContact O-CB 3.35Å; R47-C50 PolarHBondContact O-N 3.47Å; R47-C50 VanDerWaalsContact O-N 3.11Å; Q48-C50 VanDerWaalsContact C-N 3.31Å; Q48-C50 PolarHBondContact O-N 3.35Å; C50-Q52 VanDerWaalsContact C-N 3.3Å; C50-Q52 PolarHBondContact O-N 3.01Å; C50-I53 PolarHBondContact O-N 3.19Å; C50-S54 WeakPolarHBondContact O-CA 3.41Å; C50-S54 VanDerWaalsContact O-CB 3.29Å; C50-S54 WeakPolarHBondContact O-CB 3.38Å; C50-S54 PolarHBondContact O-N 3.02Å; C50-F66 HydrophobicContact CB-CD1 3.83Å; C50-F66 HydrophobicContact CB-CD2 3.85Å; C50-F66 HydrophobicContact CB-CE1 3.97Å; C50-F66 HydrophobicContact CB-CE2 3.98Å; C50-F66 HydrophobicContact CB-CG 3.79Å; C50-F66 HydrophobicContact CB-CZ 4.05Å
51I97.2Very high93.6Very high61 Ų6164.5 Ų64.531%0.31332%0.319SS..Hα-helixtrans-57.2-43.8177.8-66.8168.2000111R47 Q48 I53 S54 F66R47-I51 HydrophobicContact CG-CD1 4.15Å; R47-I51 WeakPolarHBondContact O-CG1 3.4Å; R47-I51 PolarHBondContact O-N 3.18Å; Q48-I51 PolarHBondContact O-N 3.36Å; I51-I53 PolarHBondContact O-N 3.26Å; I51-S54 PolarHBondContact O-OG 3.37Å; I51-S54 VanDerWaalsContact O-OG 3.05Å; I51-F66 HydrophobicContact CG1-CD2 3.67Å; I51-F66 HydrophobicContact CG1-CE2 4.11Å
52Q97Very high92.9Very high162 Ų16262 Ų6276%0.75730%0.299SS*.Hα-helixtrans-63.2-27.2-176.9-75.1172.59.900114.1Q48 C50Q48-Q52 VanDerWaalsContact O-CG 3.31Å; Q48-Q52 WeakPolarHBondContact O-CG 3.17Å; Q48-Q52 PolarHBondContact O-N 3.31Å; C50-Q52 VanDerWaalsContact C-N 3.3Å; C50-Q52 PolarHBondContact O-N 3.01Å
53I96.6Very high92.4Very high79 Ų7968.5 Ų68.541%0.40533%0.328SS..Hα-helixtrans-118.22.4-175.1-156.2145.2000113.9I24 K28 C50 I51I24-I53 HydrophobicContact CG2-CG2 3.77Å; K28-I53 WeakPolarHBondContact CA-O 3.42Å; K28-I53 HydrophobicContact CB-CG1 4.34Å; K28-I53 HydrophobicContact CB-CG2 4.23Å; K28-I53 HydrophobicContact CD-CD1 4.34Å; K28-I53 HydrophobicContact CD-CG1 4.17Å; K28-I53 HydrophobicContact CG-CG1 4.22Å; C50-I53 PolarHBondContact O-N 3.19Å; I51-I53 PolarHBondContact O-N 3.26Å
54S94.9Very high92.2Very high22 Ų2272.4 Ų72.415%0.15435%0.347CS..  trans-62.5143.6-173.357.70000112.5A27 C50 I51 Y59A27-S54 WeakPolarHBondContact O-CA 3.22Å; C50-S54 WeakPolarHBondContact O-CA 3.41Å; C50-S54 VanDerWaalsContact O-CB 3.29Å; C50-S54 WeakPolarHBondContact O-CB 3.38Å; C50-S54 PolarHBondContact O-N 3.02Å; I51-S54 PolarHBondContact O-OG 3.37Å; I51-S54 VanDerWaalsContact O-OG 3.05Å; S54-Y59 WeakPolarHBondContact OG-CE2 3.4Å
55H91.7Very high92.1Very high70 Ų7069.7 Ų69.732%0.32433%0.334SS..  trans-63.6135.5170-164.1-81.1000110.2A27 D57 V58A27-H55 PolarHBondContact O-N 3.2Å; H55-D57 VanDerWaalsContact C-N 3.29Å; H55-D57 IonicContact CE1-OD1 3.18Å; H55-D57 PolarHBondContact CE1-OD1 3.25Å; H55-D57 VanDerWaalsContact CE1-OD1 3.22Å; H55-D57 IonicContact CE1-OD2 3.24Å; H55-D57 PolarHBondContact CE1-OD2 2.71Å; H55-D57 VanDerWaalsContact CE1-OD2 3.27Å; H55-D57 VanDerWaalsContact ND1-CG 3.28Å; H55-D57 PolarHBondContact ND1-N 3.08Å; H55-D57 IonicContact ND1-OD1 2.9Å; H55-D57 PolarHBondContact ND1-OD1 3.47Å; H55-D57 IonicContact ND1-OD2 3.23Å; H55-D57 PolarHBondContact O-N 3.41Å; H55-V58 WeakPolarHBondContact O-CB 3.2Å; H55-V58 WeakPolarHBondContact O-CG1 3.34Å; H55-V58 PolarHBondContact O-N 2.9Å
56P88.2Confident92.1Very high97 Ų9765 Ų6563%0.6331%0.312SS*.THydrogen-bonded Turntrans-51.6-43.4-177.2-29.535.4000114.3V58 Y59P56-V58 PolarHBondContact O-N 2.88Å; P56-Y59 PolarHBondContact O-N 3.21Å
57D86.5Confident92.1Very high68 Ų6866 Ų6636%0.36432%0.318SS..THydrogen-bonded Turntrans-56.3-19-179.6-55.112.3000114.6H55 Y59 E60H55-D57 VanDerWaalsContact C-N 3.29Å; H55-D57 IonicContact CE1-OD1 3.18Å; H55-D57 PolarHBondContact CE1-OD1 3.25Å; H55-D57 VanDerWaalsContact CE1-OD1 3.22Å; H55-D57 IonicContact CE1-OD2 3.24Å; H55-D57 PolarHBondContact CE1-OD2 2.71Å; H55-D57 VanDerWaalsContact CE1-OD2 3.27Å; H55-D57 VanDerWaalsContact ND1-CG 3.28Å; H55-D57 PolarHBondContact ND1-N 3.08Å; H55-D57 IonicContact ND1-OD1 2.9Å; H55-D57 PolarHBondContact ND1-OD1 3.47Å; H55-D57 IonicContact ND1-OD2 3.23Å; H55-D57 PolarHBondContact O-N 3.41Å; D57-Y59 PolarHBondContact O-N 3.12Å; D57-E60 PolarHBondContact O-N 3.22Å
58V88.4Confident92.1Very high4 Ų464.8 Ų64.82%0.02432%0.319CS..Hα-helixtrans-63.1-32.5-179.289.70000111.2A31 C32 H55 P56 H62 P65 F66A31-V58 WeakPolarHBondContact O-CG2 3.4Å; C32-V58 VanDerWaalsContact SG-CG2 3.58Å; H55-V58 WeakPolarHBondContact O-CB 3.2Å; H55-V58 WeakPolarHBondContact O-CG1 3.34Å; H55-V58 PolarHBondContact O-N 2.9Å; P56-V58 PolarHBondContact O-N 2.88Å; V58-H62 PolarHBondContact O-N 2.86Å; V58-P65 HydrophobicContact CB-CB 4.38Å; V58-P65 HydrophobicContact CG1-CB 3.84Å; V58-P65 HydrophobicContact CG1-CG 3.8Å; V58-P65 HydrophobicContact CG2-CB 3.75Å; V58-F66 HydrophobicContact CG1-CZ 4.15Å
59Y84.1Confident92.1Very high89 Ų8961.5 Ų61.535%0.34930%0.303SS..Hα-helixtrans-83.8-17-178.7-68.7-80000114S54 P56 D57 K61 H62 P65S54-Y59 WeakPolarHBondContact OG-CE2 3.4Å; P56-Y59 PolarHBondContact O-N 3.21Å; D57-Y59 PolarHBondContact O-N 3.12Å; Y59-K61 PolarHBondContact O-N 2.93Å; Y59-H62 WeakPolarHBondContact CA-O 3.38Å; Y59-P65 HydrophobicContact CD1-CG 3.82Å; Y59-P65 HydrophobicContact CE1-CG 3.39Å; Y59-P65 HydrophobicContact CE2-CG 4.36Å; Y59-P65 HydrophobicContact CG-CG 4.47Å
60E81.6Confident92.1Very high152 Ų15266.6 Ų66.671%0.7132%0.324SS*.Hα-helixtrans-62.7-31.7173.2-64.8-175.4167.300111.1D57D57-E60 PolarHBondContact O-N 3.22Å
61K76Confident92.1Very high83 Ų8366.8 Ų66.836%0.36133%0.326SS..Hα-helixtrans-95.5-42.8-177.2-166.5-178172.9178.90113.2R6 Y59 Q92R6-K61 PolarHBondContact O-NZ 3.43Å; Y59-K61 PolarHBondContact O-N 2.93Å; K61-Q92 VanDerWaalsContact NZ-NE2 3.16Å
62H84.4Confident92.2Very high26 Ų2666 Ų6612%0.1232%0.323CS..  trans-133124.1-176.9-68.1-82.3000111.1C32 V58 Y59 E64 P65 F90C32-H62 PolarHBondContact SG-CD2 3.11Å; V58-H62 PolarHBondContact O-N 2.86Å; Y59-H62 WeakPolarHBondContact CA-O 3.38Å; H62-E64 PolarHBondContact O-N 3.5Å; H62-P65 HydrophobicContact CB-CB 4.46Å; H62-P65 WeakPolarHBondContact O-CD 3.32Å; H62-F90 AromaticContact CE1-CD1 3.78Å; H62-F90 PolarHBondContact CE1-O 3.41Å; H62-F90 AromaticContact CG-CD1 3.96Å; H62-F90 AromaticContact ND1-CD1 3.73Å
63K86.5Confident92.2Very high209 Ų20958.9 Ų58.991%0.90929%0.289SS*.SBendtrans-62.3-31.3174.6-69-173.1177.8-177.70112.6P65K63-P65 WeakPolarHBondContact O-CD 3.14Å
64E94.1Very high92.2Very high82 Ų8255.3 Ų55.338%0.38327%0.272SS..SBendtrans-120.983.1173.7-173.8170-15500109.4R47 H62 F66 H89R47-E64 IonicContact NH1-OE1 2.86Å; R47-E64 PolarHBondContact NH1-OE1 3.02Å; H62-E64 PolarHBondContact O-N 3.5Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 3.33Å; E64-H89 PolarHBondContact O-NE2 2.84Å; E64-H89 IonicContact OE2-CE1 3.57Å; E64-H89 PolarHBondContact OE2-CE1 2.89Å
65P97.1Very high92.4Very high4 Ų458.7 Ų58.73%0.02629%0.285CS..  trans-76.9-14-174.130.4-35.4000113.3C32 V33 V58 Y59 H62 K63C32-P65 CarbonylContact C-O 3.59Å; C32-P65 WeakPolarHBondContact CA-O 3.48Å; C32-P65 HydrophobicContact CB-CB 4.35Å; C32-P65 WeakPolarHBondContact CB-O 3.46Å; V33-P65 PolarHBondContact N-O 3.49Å; V58-P65 HydrophobicContact CB-CB 4.38Å; V58-P65 HydrophobicContact CG1-CB 3.84Å; V58-P65 HydrophobicContact CG1-CG 3.8Å; V58-P65 HydrophobicContact CG2-CB 3.75Å; Y59-P65 HydrophobicContact CD1-CG 3.82Å; Y59-P65 HydrophobicContact CE1-CG 3.39Å; Y59-P65 HydrophobicContact CE2-CG 4.36Å; Y59-P65 HydrophobicContact CG-CG 4.47Å; H62-P65 HydrophobicContact CB-CB 4.46Å; H62-P65 WeakPolarHBondContact O-CD 3.32Å; K63-P65 WeakPolarHBondContact O-CD 3.14Å
66F98.2Very high92.5Very high2 Ų259 Ų591%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-125.497.5-176.1-51.2-58.6000110A27 V33 R47 C50 I51 V58 E64A27-F66 HydrophobicContact CB-CD1 4.37Å; A27-F66 HydrophobicContact CB-CE1 3.38Å; A27-F66 HydrophobicContact CB-CE2 4.45Å; A27-F66 HydrophobicContact CB-CZ 3.44Å; A27-F66 VanDerWaalsContact CB-CZ 3.44Å; V33-F66 HydrophobicContact CB-CD1 4.2Å; V33-F66 HydrophobicContact CG2-CD1 4.27Å; V33-F66 HydrophobicContact CG2-CE1 4.35Å; V33-F66 CarbonylContact O-C 3.36Å; V33-F66 VanDerWaalsContact O-CA 3.31Å; V33-F66 WeakPolarHBondContact O-CA 2.96Å; R47-F66 WeakPolarHBondContact CD-O 3.24Å; R47-F66 HydrophobicContact CG-CB 3.81Å; C50-F66 HydrophobicContact CB-CD1 3.83Å; C50-F66 HydrophobicContact CB-CD2 3.85Å; C50-F66 HydrophobicContact CB-CE1 3.97Å; C50-F66 HydrophobicContact CB-CE2 3.98Å; C50-F66 HydrophobicContact CB-CG 3.79Å; C50-F66 HydrophobicContact CB-CZ 4.05Å; I51-F66 HydrophobicContact CG1-CD2 3.67Å; I51-F66 HydrophobicContact CG1-CE2 4.11Å; V58-F66 HydrophobicContact CG1-CZ 4.15Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 3.33Å
67L98.2Very high92.9Very high23 Ų2358.5 Ų58.512%0.1229%0.29CS..EExtended strand (participates in β ladder)trans-96.8120.4-173.8177.668.1000110.7V33 A34 L35 I69 H89 F90V33-L67 PolarHBondContact O-N 3.36Å; A34-L67 CarbonylContact C-O 3.01Å; A34-L67 WeakPolarHBondContact CA-O 3.19Å; L35-L67 PolarHBondContact N-O 2.95Å; L67-I69 HydrophobicContact CD2-CD1 3.8Å; L67-I69 HydrophobicContact CD2-CG1 4.02Å; L67-I69 HydrophobicContact CG-CD1 4.25Å; L67-I69 HydrophobicContact CG-CG1 3.97Å; L67-H89 HydrophobicContact CD2-CB 3.67Å; L67-F90 HydrophobicContact CB-CE2 3.89Å; L67-F90 HydrophobicContact CB-CZ 3.89Å; L67-F90 HydrophobicContact CD2-CE2 4.24Å
68C98.7Very high93.5Very high36 Ų3658.9 Ų58.924%0.24329%0.29CS..EExtended strand (participates in β ladder)trans-85127.1173.2-68.50000111L43L43-C68 HydrophobicContact CB-CB 4.23Å
69I98.7Very high94Very high7 Ų758.8 Ų58.84%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-128.2117.5176.5-58167.9000109.2A34 L35 I36 A37 L43 L67 A82 L85 A86A34-I69 HydrophobicContact CB-CD1 4.2Å; L35-I69 PolarHBondContact O-N 3.41Å; I36-I69 WeakPolarHBondContact CA-O 3.49Å; I36-I69 HydrophobicContact CG1-CB 4.21Å; I36-I69 HydrophobicContact CG1-CD1 4.38Å; A37-I69 PolarHBondContact N-O 3.42Å; L43-I69 WeakPolarHBondContact CD1-O 3.21Å; L67-I69 HydrophobicContact CD2-CD1 3.8Å; L67-I69 HydrophobicContact CD2-CG1 4.02Å; L67-I69 HydrophobicContact CG-CD1 4.25Å; L67-I69 HydrophobicContact CG-CG1 3.97Å; I69-A82 WeakPolarHBondContact CD1-O 3.19Å; I69-A82 HydrophobicContact CG2-CB 3.65Å; I69-L85 HydrophobicContact CD1-CB 4.01Å; I69-L85 HydrophobicContact CG1-CB 4.43Å; I69-L85 HydrophobicContact CG2-CD1 4.04Å; I69-A86 HydrophobicContact CD1-CB 3.94Å
70E98.5Very high94.7Very high123 Ų12358.2 Ų58.258%0.57529%0.29SS*.EExtended strand (participates in β ladder)trans-78.8123.1172.8-171.1176.9170.100110.1A37A37-E70 VanDerWaalsContact O-CA 3.25Å; A37-E70 WeakPolarHBondContact O-CA 3.38Å
71A98.4Very high95.5Very high4 Ų457.5 Ų57.53%0.03328%0.284CS..  trans-158.6139.4175.500000112.3I36 A37 R38 E78 A82I36-A71 HydrophobicContact CG2-CB 3.91Å; A37-A71 CarbonylContact C-O 3.58Å; A37-A71 PolarHBondContact O-N 3.42Å; R38-A71 WeakPolarHBondContact CG-O 3.48Å; R38-A71 PolarHBondContact N-O 3.03Å; A71-E78 WeakPolarHBondContact CA-OE2 3.5Å; A71-E78 HydrophobicContact CB-CB 4.21Å; A71-A82 HydrophobicContact CB-CB 3.96Å
72D98.1Very high96.6Very high45 Ų4553.6 Ų53.624%0.24127%0.267CS..  trans-88.4114.3162.4-162.8-20.2000110.6R38 A74 E75 E78R38-D72 HydrophobicContact CG-CB 4.09Å; D72-A74 PolarHBondContact O-N 3.31Å; D72-A74 WeakPolarHBondContact OD1-CB 3.36Å; D72-A74 PolarHBondContact OD1-N 3.49Å; D72-E75 PolarHBondContact O-N 2.83Å; D72-E75 VanDerWaalsContact O-N 3.08Å; D72-E78 PolarHBondContact N-OE2 2.99Å
73L97.8Very high97.2Very high11 Ų1153.6 Ų53.66%0.05827%0.266CS..THydrogen-bonded Turntrans-77.5-3.4-178.7-59.7178000113.1T12 I36 I79 A100 A126T12-L73 HydrophobicContact CG2-CD1 3.81Å; I36-L73 HydrophobicContact CG2-CD2 4.19Å; L73-I79 HydrophobicContact CD2-CG1 3.86Å; L73-A100 HydrophobicContact CD1-CB 3.3Å; L73-A126 HydrophobicContact CB-CB 3.84Å; L73-A126 WeakPolarHBondContact O-CB 3.09Å
74A97.3Very high97.8Very high5 Ų550.5 Ų50.54%0.04125%0.249CC..THydrogen-bonded Turntrans-71.4-20.3164.700000112.4D72 K121 V122D72-A74 PolarHBondContact O-N 3.31Å; D72-A74 WeakPolarHBondContact OD1-CB 3.36Å; D72-A74 PolarHBondContact OD1-N 3.49Å; A74-K121 HydrophobicContact CB-CB 4.49Å; A74-V122 HydrophobicContact CB-CG2 3.91Å
75E97.7Very high98Very high92 Ų9250.5 Ų50.543%0.4325%0.251SS..SBendtrans-107.1111.4-175.2-62.3-53.3137.700111.4D72 C77 E78 I79D72-E75 PolarHBondContact O-N 2.83Å; D72-E75 VanDerWaalsContact O-N 3.08Å; E75-C77 VanDerWaalsContact C-N 3.26Å; E75-C77 PolarHBondContact O-N 2.65Å; E75-E78 HydrophobicContact CB-CB 4.33Å; E75-E78 HydrophobicContact CB-CG 4.05Å; E75-E78 PolarHBondContact O-N 2.99Å; E75-I79 PolarHBondContact O-N 3.34Å
76T94.7Very high98.1Very high76 Ų7650.4 Ų50.447%0.46625%0.25SS..Hα-helixtrans-60.9-33.6-171.8-48.40000113.2E78 I79 E80 T129T76-E78 VanDerWaalsContact C-N 3.32Å; T76-E78 PolarHBondContact O-N 3.09Å; T76-I79 WeakPolarHBondContact O-CB 3.2Å; T76-I79 PolarHBondContact O-N 3.36Å; T76-E80 PolarHBondContact O-N 3.32Å; T76-T129 HydrophobicContact CG2-CG2 3.9Å
77C97.3Very high98.1Very high88 Ų8851.5 Ų51.560%0.59526%0.256SS*.Hα-helixtrans-65.9-33.1176.359.50000112.6E75 K81E75-C77 VanDerWaalsContact C-N 3.26Å; E75-C77 PolarHBondContact O-N 2.65Å; C77-K81 WeakPolarHBondContact O-CB 3.32Å; C77-K81 PolarHBondContact O-N 3.17Å
78E98.4Very high98.1Very high75 Ų7555.7 Ų55.735%0.3528%0.279SS..Hα-helixtrans-74.9-32.2177.1-62.4-151.5160.400111.9A71 D72 E75 T76 K81 A82A71-E78 WeakPolarHBondContact CA-OE2 3.5Å; A71-E78 HydrophobicContact CB-CB 4.21Å; D72-E78 PolarHBondContact N-OE2 2.99Å; E75-E78 HydrophobicContact CB-CB 4.33Å; E75-E78 HydrophobicContact CB-CG 4.05Å; E75-E78 PolarHBondContact O-N 2.99Å; T76-E78 VanDerWaalsContact C-N 3.32Å; T76-E78 PolarHBondContact O-N 3.09Å; E78-K81 PolarHBondContact O-N 3.01Å; E78-A82 VanDerWaalsContact O-CB 3.23Å; E78-A82 WeakPolarHBondContact O-CB 3.28Å; E78-A82 PolarHBondContact O-N 3.33Å
79I98.5Very high98Very high2 Ų256.7 Ų56.71%0.0128%0.28CS..Hα-helixtrans-59.9-49.3171.6-54.5178.5000110.4L73 E75 T76 A82 Y83 A126 T129 L130 L133L73-I79 HydrophobicContact CD2-CG1 3.86Å; E75-I79 PolarHBondContact O-N 3.34Å; T76-I79 WeakPolarHBondContact O-CB 3.2Å; T76-I79 PolarHBondContact O-N 3.36Å; I79-A82 PolarHBondContact O-N 3.03Å; I79-Y83 WeakPolarHBondContact O-CB 3.26Å; I79-Y83 PolarHBondContact O-N 2.79Å; I79-A126 HydrophobicContact CD1-CB 3.79Å; I79-T129 HydrophobicContact CG2-CG2 4.24Å; I79-L130 HydrophobicContact CG2-CB 3.85Å; I79-L130 HydrophobicContact CG2-CD1 4.11Å; I79-L130 HydrophobicContact CG2-CG 4.48Å; I79-L133 HydrophobicContact CG2-CD1 4.39Å
80E98.3Very high97.9Very high78 Ų7856.6 Ų56.636%0.36428%0.279SS..Hα-helixtrans-62.9-45.2179.6-172.8-175.816200111.4T76 A82 Y83 R84 L133T76-E80 PolarHBondContact O-N 3.32Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.11Å; E80-Y83 PolarHBondContact O-N 2.96Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.97Å; E80-R84 IonicContact OE1-CZ 2.97Å; E80-R84 VanDerWaalsContact OE1-CZ 3.23Å; E80-R84 IonicContact OE1-NE 3.23Å; E80-R84 PolarHBondContact OE1-NE 3.3Å; E80-R84 IonicContact OE1-NH2 2.71Å; E80-R84 PolarHBondContact OE1-NH2 2.83Å; E80-L133 HydrophobicContact CB-CD1 4.18Å; E80-L133 HydrophobicContact CG-CD1 4.35Å; E80-L133 HydrophobicContact CG-CD2 4.38Å
81K98.5Very high97.9Very high137 Ų13757.9 Ų57.960%0.59629%0.285SS*.Hα-helixtrans-58.9-45.5175.9-177-177.2175.6-172.30111.4C77 E78 R84 L85C77-K81 WeakPolarHBondContact O-CB 3.32Å; C77-K81 PolarHBondContact O-N 3.17Å; E78-K81 PolarHBondContact O-N 3.01Å; K81-R84 PolarHBondContact O-N 2.85Å; K81-L85 HydrophobicContact CG-CD1 4.24Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 2.83Å
82A98.6Very high97.8Very high1 Ų160.3 Ų60.31%0.00830%0.296CS..Hα-helixtrans-63.7-43.7-179.900000112I36 I69 A71 E78 I79 E80 L85 A86I36-A82 HydrophobicContact CD1-CB 4.01Å; I36-A82 HydrophobicContact CG2-CB 4.32Å; I69-A82 WeakPolarHBondContact CD1-O 3.19Å; I69-A82 HydrophobicContact CG2-CB 3.65Å; A71-A82 HydrophobicContact CB-CB 3.96Å; E78-A82 VanDerWaalsContact O-CB 3.23Å; E78-A82 WeakPolarHBondContact O-CB 3.28Å; E78-A82 PolarHBondContact O-N 3.33Å; I79-A82 PolarHBondContact O-N 3.03Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.11Å; A82-L85 PolarHBondContact O-N 2.9Å; A82-A86 PolarHBondContact O-N 2.61Å; A82-A86 VanDerWaalsContact O-N 3.08Å
83Y98.8Very high97.8Very high25 Ų2558.2 Ų58.210%0.09828%0.284CS..Hα-helixtrans-60.4-48.8174.2169.2-103.3000111.9I10 I79 E80 L85 A86 I87 L93 L130 L133 A134 D137I10-Y83 HydrophobicContact CD1-CD2 4.11Å; I79-Y83 WeakPolarHBondContact O-CB 3.26Å; I79-Y83 PolarHBondContact O-N 2.79Å; E80-Y83 PolarHBondContact O-N 2.96Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 2.88Å; Y83-A86 PolarHBondContact O-N 2.81Å; Y83-A86 VanDerWaalsContact O-N 3.15Å; Y83-I87 HydrophobicContact CD2-CD1 4.48Å; Y83-I87 HydrophobicContact CD2-CG1 3.9Å; Y83-I87 HydrophobicContact CE1-CG1 4.14Å; Y83-I87 HydrophobicContact CE2-CD1 3.8Å; Y83-I87 HydrophobicContact CE2-CG1 3.37Å; Y83-I87 HydrophobicContact CG-CG1 4.46Å; Y83-I87 WeakPolarHBondContact O-CG1 3.34Å; Y83-I87 PolarHBondContact O-N 2.94Å; Y83-L93 HydrophobicContact CE2-CD2 4.3Å; Y83-L130 HydrophobicContact CD2-CD1 4.19Å; Y83-L130 HydrophobicContact CG-CD1 4.34Å; Y83-L133 HydrophobicContact CD1-CB 3.79Å; Y83-L133 HydrophobicContact CD1-CD1 4.28Å; Y83-L133 HydrophobicContact CD1-CD2 4.5Å; Y83-L133 HydrophobicContact CD1-CG 4.43Å; Y83-L133 HydrophobicContact CD2-CB 4.34Å; Y83-L133 HydrophobicContact CE1-CB 3.91Å; Y83-L133 HydrophobicContact CE2-CB 4.48Å; Y83-L133 HydrophobicContact CG-CB 4Å; Y83-L133 HydrophobicContact CG-CD1 4.39Å; Y83-L133 VanDerWaalsContact CZ-O 3.25Å; Y83-L133 PolarHBondContact OH-O 3.1Å; Y83-A134 HydrophobicContact CE2-CB 4.08Å; Y83-D137 PolarHBondContact OH-OD2 2.82Å
84R98.6Very high97.9Very high145 Ų14558.1 Ų58.155%0.54728%0.284SS..Hα-helixtrans-58.9-41.5177.8-73.8178-178.2-110.16.3112.2E80 K81 N88E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.97Å; E80-R84 IonicContact OE1-CZ 2.97Å; E80-R84 VanDerWaalsContact OE1-CZ 3.23Å; E80-R84 IonicContact OE1-NE 3.23Å; E80-R84 PolarHBondContact OE1-NE 3.3Å; E80-R84 IonicContact OE1-NH2 2.71Å; E80-R84 PolarHBondContact OE1-NH2 2.83Å; K81-R84 PolarHBondContact O-N 2.85Å; R84-N88 WeakPolarHBondContact O-CB 3.34Å; R84-N88 PolarHBondContact O-N 2.9Å; R84-N88 PolarHBondContact O-ND2 2.88Å
85L98.5Very high97.9Very high82 Ų8258 Ų5843%0.42928%0.282SS..Hα-helixtrans-60.8-45.4175.8-74.1170.7000111.6I69 K81 A82 Y83 H89I69-L85 HydrophobicContact CD1-CB 4.01Å; I69-L85 HydrophobicContact CG1-CB 4.43Å; I69-L85 HydrophobicContact CG2-CD1 4.04Å; K81-L85 HydrophobicContact CG-CD1 4.24Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 2.83Å; A82-L85 PolarHBondContact O-N 2.9Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 2.88Å; L85-H89 WeakPolarHBondContact O-CB 3.33Å; L85-H89 PolarHBondContact O-N 3.42Å; L85-H89 VanDerWaalsContact O-N 3.12Å
86A98.4Very high98Very high1 Ų153.6 Ų53.61%0.00826%0.262CS..Hα-helixtrans-63.1-47.9178.300000112.2I10 A34 I69 A82 Y83 H89 F90I10-A86 HydrophobicContact CD1-CB 3.74Å; I10-A86 HydrophobicContact CG1-CB 3.91Å; A34-A86 HydrophobicContact CB-CB 3.73Å; I69-A86 HydrophobicContact CD1-CB 3.94Å; A82-A86 PolarHBondContact O-N 2.61Å; A82-A86 VanDerWaalsContact O-N 3.08Å; Y83-A86 PolarHBondContact O-N 2.81Å; Y83-A86 VanDerWaalsContact O-N 3.15Å; A86-H89 PolarHBondContact O-N 2.84Å; A86-F90 WeakPolarHBondContact O-CD2 3.38Å; A86-F90 PolarHBondContact O-N 2.97Å
87I98.2Very high98.2Very high25 Ų2550 Ų5013%0.12824%0.239CC..Hα-helixtrans-68.3-39.1-179.3-62.7-54.8000111.9Y83 H89 H91 L93 D137Y83-I87 HydrophobicContact CD2-CD1 4.48Å; Y83-I87 HydrophobicContact CD2-CG1 3.9Å; Y83-I87 HydrophobicContact CE1-CG1 4.14Å; Y83-I87 HydrophobicContact CE2-CD1 3.8Å; Y83-I87 HydrophobicContact CE2-CG1 3.37Å; Y83-I87 HydrophobicContact CG-CG1 4.46Å; Y83-I87 WeakPolarHBondContact O-CG1 3.34Å; Y83-I87 PolarHBondContact O-N 2.94Å; I87-H89 PolarHBondContact O-N 3.35Å; I87-H91 WeakPolarHBondContact O-CA 3.45Å; I87-H91 PolarHBondContact O-N 2.85Å; I87-L93 HydrophobicContact CD1-CB 3.73Å; I87-L93 HydrophobicContact CD1-CD2 4.26Å; I87-D137 HydrophobicContact CD1-CB 4.37Å; I87-D137 WeakPolarHBondContact CD1-OD2 3.39Å
88N97.9Very high98.3Very high111 Ų11146 Ų4659%0.59421%0.213SC*.Hα-helixtrans-66.3-27.5176.4-72.9-16.8000112.8R84 H91R84-N88 WeakPolarHBondContact O-CB 3.34Å; R84-N88 PolarHBondContact O-N 2.9Å; R84-N88 PolarHBondContact O-ND2 2.88Å; N88-H91 PolarHBondContact O-CE1 2.88Å; N88-H91 PolarHBondContact O-NE2 3.36Å
89H97.6Very high98.3Very high58 Ų5843.3 Ų43.327%0.26920%0.201SC..Hα-helixtrans-82.4-43.9179.2-17492000112.6E64 L67 L85 A86 I87E64-H89 PolarHBondContact O-NE2 2.84Å; E64-H89 IonicContact OE2-CE1 3.57Å; E64-H89 PolarHBondContact OE2-CE1 2.89Å; L67-H89 HydrophobicContact CD2-CB 3.67Å; L85-H89 WeakPolarHBondContact O-CB 3.33Å; L85-H89 PolarHBondContact O-N 3.42Å; L85-H89 VanDerWaalsContact O-N 3.12Å; A86-H89 PolarHBondContact O-N 2.84Å; I87-H89 PolarHBondContact O-N 3.35Å
90F97.3Very high98.2Very high5 Ų544.1 Ų44.12%0.02221%0.207CC..Hα-helixtrans-98.3-21-173.7-67.7-63.9000114.4V8 C32 A34 H62 L67 A86 Q92V8-F90 HydrophobicContact CB-CB 4.46Å; V8-F90 HydrophobicContact CG1-CB 3.64Å; V8-F90 HydrophobicContact CG1-CD1 4.18Å; V8-F90 HydrophobicContact CG1-CD2 3.64Å; V8-F90 HydrophobicContact CG1-CE2 4.34Å; V8-F90 HydrophobicContact CG1-CG 3.56Å; V8-F90 HydrophobicContact CG2-CB 4.09Å; V8-F90 HydrophobicContact CG2-CD1 4.39Å; V8-F90 HydrophobicContact CG2-CG 4.33Å; C32-F90 HydrophobicContact CB-CD1 4.08Å; C32-F90 HydrophobicContact CB-CE1 3.66Å; C32-F90 HydrophobicContact CB-CZ 4.23Å; A34-F90 HydrophobicContact CB-CE2 3.98Å; H62-F90 AromaticContact CE1-CD1 3.78Å; H62-F90 PolarHBondContact CE1-O 3.41Å; H62-F90 AromaticContact CG-CD1 3.96Å; H62-F90 AromaticContact ND1-CD1 3.73Å; L67-F90 HydrophobicContact CB-CE2 3.89Å; L67-F90 HydrophobicContact CB-CZ 3.89Å; L67-F90 HydrophobicContact CD2-CE2 4.24Å; A86-F90 WeakPolarHBondContact O-CD2 3.38Å; A86-F90 PolarHBondContact O-N 2.97Å; F90-Q92 PolarHBondContact O-N 3.34Å; F90-Q92 VanDerWaalsContact O-N 3.09Å
91H96.6Very high98.1Very high150 Ų15042 Ų4269%0.69421%0.206SC*.SBendtrans53.224.6-173.7-54.1-63.7000114.2I87 N88I87-H91 WeakPolarHBondContact O-CA 3.45Å; I87-H91 PolarHBondContact O-N 2.85Å; N88-H91 PolarHBondContact O-CE1 2.88Å; N88-H91 PolarHBondContact O-NE2 3.36Å
92Q96.8Very high98Very high55 Ų5536.8 Ų36.826%0.25719%0.187SC..  trans-162.6147.8-175.3178.7174.7-38.200109.8R6 V8 K61 F90 D94R6-Q92 PolarHBondContact O-NE2 3.38Å; V8-Q92 HydrophobicContact CB-CB 4.49Å; V8-Q92 HydrophobicContact CB-CG 4.38Å; V8-Q92 WeakPolarHBondContact CB-O 3.25Å; V8-Q92 VanDerWaalsContact CG1-O 3.28Å; V8-Q92 WeakPolarHBondContact CG1-O 3.42Å; V8-Q92 HydrophobicContact CG2-CB 4.03Å; V8-Q92 HydrophobicContact CG2-CG 4.09Å; K61-Q92 VanDerWaalsContact NZ-NE2 3.16Å; F90-Q92 PolarHBondContact O-N 3.34Å; F90-Q92 VanDerWaalsContact O-N 3.09Å; Q92-D94 PolarHBondContact NE2-OD2 3.31Å
93L98.6Very high97.8Very high1 Ų137.6 Ų37.61%0.00519%0.191CC..  trans-143.9124.7166.3-178.862.8000110.1I10 Y83 I87 I95 A134 D137 L138 S141I10-L93 HydrophobicContact CB-CD1 4.17Å; I10-L93 HydrophobicContact CD1-CD1 3.77Å; I10-L93 HydrophobicContact CD1-CD2 3.97Å; I10-L93 HydrophobicContact CG1-CD1 3.73Å; Y83-L93 HydrophobicContact CE2-CD2 4.3Å; I87-L93 HydrophobicContact CD1-CB 3.73Å; I87-L93 HydrophobicContact CD1-CD2 4.26Å; L93-I95 VanDerWaalsContact CD1-O 3.32Å; L93-I95 WeakPolarHBondContact CD1-O 3.44Å; L93-A134 HydrophobicContact CD2-CB 3.59Å; L93-D137 HydrophobicContact CB-CB 3.71Å; L93-L138 HydrophobicContact CD2-CD2 4.27Å; L93-L138 HydrophobicContact CD2-CG 4.08Å; L93-L138 HydrophobicContact CG-CD2 3.97Å; L93-L138 HydrophobicContact CG-CG 4.27Å; L93-S141 VanDerWaalsContact O-CB 3.3Å; L93-S141 WeakPolarHBondContact O-CB 3.15Å; L93-S141 PolarHBondContact O-OG 3.22Å
94D98.7Very high97.5Very high8 Ų837.6 Ų37.64%0.04319%0.192CC..  trans-111.6-29.7174.9-53.7-104.6000112.9K7 V8 Q92 L138 S141 G143 S144K7-D94 WeakPolarHBondContact CA-OD2 3.49Å; K7-D94 HydrophobicContact CB-CB 4.23Å; K7-D94 HydrophobicContact CD-CB 3.63Å; K7-D94 WeakPolarHBondContact CD-OD1 3.29Å; K7-D94 IonicContact NZ-OD1 2.81Å; K7-D94 PolarHBondContact NZ-OD1 3.39Å; V8-D94 PolarHBondContact N-OD2 2.87Å; V8-D94 PolarHBondContact O-N 2.79Å; Q92-D94 PolarHBondContact NE2-OD2 3.31Å; D94-L138 WeakPolarHBondContact O-CD2 3.4Å; D94-S141 WeakPolarHBondContact CA-OG 3.46Å; D94-G143 CarbonylContact O-C 3.55Å; D94-G143 WeakPolarHBondContact O-CA 3.42Å; D94-S144 PolarHBondContact O-N 2.94Å
95I98.9Very high97.2Very high2 Ų236.8 Ų36.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-135127.1-170.4-56159.8000109.5L4 K7 V8 A9 I10 F26 L93 V97 S144L4-I95 HydrophobicContact CD1-CD1 4.32Å; L4-I95 HydrophobicContact CD2-CD1 3.91Å; K7-I95 HydrophobicContact CB-CD1 4.04Å; K7-I95 HydrophobicContact CG-CD1 4.49Å; V8-I95 PolarHBondContact O-N 3.5Å; V8-I95 VanDerWaalsContact O-N 3.08Å; A9-I95 CarbonylContact C-O 3.54Å; A9-I95 WeakPolarHBondContact CA-O 3.33Å; A9-I95 HydrophobicContact CB-CB 3.92Å; A9-I95 HydrophobicContact CB-CG2 4.36Å; I10-I95 PolarHBondContact N-O 2.71Å; F26-I95 HydrophobicContact CE2-CD1 4.21Å; F26-I95 HydrophobicContact CE2-CG2 3.82Å; F26-I95 HydrophobicContact CZ-CG2 4.28Å; L93-I95 VanDerWaalsContact CD1-O 3.32Å; L93-I95 WeakPolarHBondContact CD1-O 3.44Å; I95-V97 HydrophobicContact CG2-CG2 3.95Å; I95-S144 CarbonylContact C-O 3.57Å; I95-S144 VanDerWaalsContact CA-O 3.3Å; I95-S144 WeakPolarHBondContact CA-O 3.28Å
96L98.9Very high97.1Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-114.3120.8168.4173.961.4000109.3I10 L130 A134 L138 S144 I145 V146I10-L96 HydrophobicContact CB-CD1 4.02Å; I10-L96 HydrophobicContact CG2-CD1 3.88Å; L96-L130 HydrophobicContact CD1-CD2 3.63Å; L96-L130 HydrophobicContact CD1-CG 3.85Å; L96-L130 HydrophobicContact CD2-CG 4.22Å; L96-A134 HydrophobicContact CD2-CB 4.1Å; L96-L138 HydrophobicContact CB-CD1 4.32Å; L96-S144 PolarHBondContact N-O 3.29Å; L96-I145 HydrophobicContact CB-CG1 4.15Å; L96-I145 HydrophobicContact CD2-CG1 4.39Å; L96-I145 HydrophobicContact CD2-CG2 4.46Å; L96-I145 CarbonylContact O-C 3.4Å; L96-I145 VanDerWaalsContact O-CA 3.31Å; L96-I145 WeakPolarHBondContact O-CA 3.37Å; L96-V146 PolarHBondContact O-N 2.95Å
97V98.9Very high97.1Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-108.8102.8172.6-172.40000109.2I10 I11 T12 F26 I95 N99 V146 V148 I237I10-V97 PolarHBondContact O-N 3.41Å; I11-V97 HydrophobicContact CB-CB 4.44Å; I11-V97 HydrophobicContact CG1-CB 4.06Å; I11-V97 HydrophobicContact CG1-CG2 4.1Å; I11-V97 HydrophobicContact CG2-CB 4.28Å; I11-V97 HydrophobicContact CG2-CG1 4.48Å; T12-V97 PolarHBondContact N-O 3.42Å; T12-V97 VanDerWaalsContact N-O 3.13Å; T12-V97 PolarHBondContact OG1-O 3.3Å; F26-V97 HydrophobicContact CE2-CG2 3.97Å; F26-V97 HydrophobicContact CZ-CG2 4.03Å; I95-V97 HydrophobicContact CG2-CG2 3.95Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 HydrophobicContact CG1-CB 3.99Å; V97-N99 PolarHBondContact O-N 3.27Å; V97-V146 CarbonylContact C-O 3.48Å; V97-V146 WeakPolarHBondContact CA-O 3.45Å; V97-V148 HydrophobicContact CG1-CG2 4.28Å; V97-I237 HydrophobicContact CG1-CD1 4.42Å; V97-I237 HydrophobicContact CG1-CG2 4Å; V97-I237 HydrophobicContact CG2-CG2 3.89Å
98N98.9Very high97Very high6 Ų638.2 Ų38.23%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-81.682.3173.5-66-47.8000109A127 T131 V146 N147 V148N98-A127 HydrophobicContact CB-CB 3.85Å; N98-T131 PolarHBondContact ND2-OG1 2.97Å; N98-T131 VanDerWaalsContact ND2-OG1 3.17Å; N98-V146 PolarHBondContact N-O 3.4Å; N98-N147 WeakPolarHBondContact CB-OD1 3.44Å; N98-N147 PolarHBondContact ND2-OD1 3.14Å; N98-V148 PolarHBondContact O-N 2.96Å
99N98.7Very high97Very high18 Ų1842.1 Ų42.110%0.09623%0.226CC..  trans-102.2-26.1-176.7161.489.9000114T12 G13 I18 G19 V97 G101 V148T12-N99 WeakPolarHBondContact O-CB 3.32Å; T12-N99 PolarHBondContact O-ND2 3.06Å; T12-N99 PolarHBondContact OG1-N 3.29Å; G13-N99 PolarHBondContact O-ND2 3.34Å; I18-N99 WeakPolarHBondContact CB-OD1 3.41Å; I18-N99 WeakPolarHBondContact CG2-OD1 3.44Å; G19-N99 WeakPolarHBondContact CA-ND2 3.45Å; G19-N99 PolarHBondContact N-ND2 2.92Å; G19-N99 PolarHBondContact N-OD1 2.87Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 HydrophobicContact CG1-CB 3.99Å; V97-N99 PolarHBondContact O-N 3.27Å; N99-G101 PolarHBondContact O-N 3.38Å; N99-V148 HydrophobicContact CB-CB 4.23Å; N99-V148 HydrophobicContact CB-CG2 3.6Å
100A97.2Very high97Very high18 Ų1842.5 Ų42.515%0.14924%0.235CC..  trans-55.2138.4-17900000111.8T12 L73T12-A100 PolarHBondContact O-N 3.32Å; T12-A100 PolarHBondContact OG1-N 3.47Å; T12-A100 VanDerWaalsContact OG1-N 3.1Å; L73-A100 HydrophobicContact CD1-CB 3.3Å
101G96.3Very high97Very high34 Ų3446.7 Ų46.735%0.35125%0.253SS..  trans-170.3156175.900000112N99 N123N99-G101 PolarHBondContact O-N 3.38Å; G101-N123 WeakPolarHBondContact CA-OD1 3.31Å
102C96Very high97Very high27 Ų2743 Ų4318%0.18224%0.239CC..  trans-124.8169.2169.958.30000110.2L119 N123 Y163C102-L119 WeakPolarHBondContact O-CD1 3.44Å; C102-N123 PolarHBondContact N-OD1 3.24Å; C102-N123 PolarHBondContact O-ND2 3.46Å; C102-N123 PolarHBondContact O-OD1 3.31Å; C102-Y163 VanDerWaalsContact O-CD2 3.31Å; C102-Y163 WeakPolarHBondContact O-CD2 3.4Å; C102-Y163 WeakPolarHBondContact O-CE2 3.46Å
103M94.2Very high97Very high19 Ų1944.4 Ų44.49%0.09425%0.251CS..  trans-133.3136.2177.7178.1-177.7-74.900107.5V160 Y163 L200M103-V160 HydrophobicContact CG-CG1 4.46Å; M103-V160 HydrophobicContact SD-CG1 4.24Å; M103-Y163 HydrophobicContact CB-CD2 3.88Å; M103-Y163 HydrophobicContact CB-CE2 4.1Å; M103-Y163 HydrophobicContact CB-CG 4.44Å; M103-Y163 HydrophobicContact CE-CD1 3.76Å; M103-Y163 HydrophobicContact CE-CD2 4.23Å; M103-Y163 HydrophobicContact CE-CE1 3.54Å; M103-Y163 HydrophobicContact CE-CE2 4.03Å; M103-Y163 HydrophobicContact CE-CG 4.1Å; M103-Y163 HydrophobicContact CG-CD2 4.01Å; M103-Y163 HydrophobicContact CG-CE2 4.48Å; M103-Y163 HydrophobicContact CG-CG 4.06Å; M103-L200 HydrophobicContact CB-CD1 4.13Å; M103-L200 HydrophobicContact CB-CG 4.24Å; M103-L200 HydrophobicContact CE-CD2 4.02Å
104I93.4Very high97Very high25 Ų2547.1 Ų47.113%0.12827%0.274CS..  trans-117158.2168.564.7177.7000108.5E115 L119I104-E115 HydrophobicContact CD1-CB 3.85Å; I104-L119 HydrophobicContact CD1-CB 4.21Å; I104-L119 HydrophobicContact CD1-CD2 4.01Å; I104-L119 HydrophobicContact CG1-CD1 4.35Å; I104-L119 HydrophobicContact CG1-CD2 3.96Å; I104-L119 HydrophobicContact CG2-CD1 4.4Å
105R92.3Very high96.9Very high127 Ų12751.2 Ų51.248%0.47929%0.293SS..  trans-103.8117.3174.8-71.3177.9173.1-89.910.5108.9G159R105-G159 CarbonylContact C-O 3.56Å; R105-G159 VanDerWaalsContact CA-O 3.26Å; R105-G159 WeakPolarHBondContact CA-O 3.23Å
106D96.3Very high96.9Very high2 Ų254.2 Ų54.21%0.01130%0.304CS..BIsolated β-bridgetrans-154.7158.3-177.874.5-43.7000112.8S110 G159 V160 M161 S162D106-S110 WeakPolarHBondContact CA-OG 3.48Å; D106-G159 PolarHBondContact N-O 3.11Å; D106-G159 CarbonylContact O-C 3.58Å; D106-G159 VanDerWaalsContact O-CA 3.31Å; D106-G159 WeakPolarHBondContact O-CA 3.48Å; D106-V160 PolarHBondContact O-N 2.97Å; D106-M161 PolarHBondContact O-N 2.88Å; D106-M161 PolarHBondContact OD1-N 3.5Å; D106-S162 WeakPolarHBondContact OD1-CB 3.46Å; D106-S162 PolarHBondContact OD1-N 3.41Å; D106-S162 WeakPolarHBondContact OD2-CB 3.45Å; D106-S162 PolarHBondContact OD2-N 3.36Å; D106-S162 PolarHBondContact OD2-OG 2.94Å
107T97.1Very high96.9Very high51 Ų5159.2 Ų59.231%0.31333%0.328SS..  trans-130.7176.2171.571.40000109.5E109 S110 F111T107-E109 PolarHBondContact O-N 3.19Å; T107-E109 PolarHBondContact OG1-N 3.46Å; T107-E109 VanDerWaalsContact OG1-N 3.16Å; T107-S110 PolarHBondContact N-OG 3.06Å; T107-S110 PolarHBondContact O-N 3.27Å; T107-S110 PolarHBondContact OG1-N 3.34Å; T107-F111 PolarHBondContact O-N 3.22Å; T107-F111 VanDerWaalsContact O-N 3.13Å
108A96.6Very high96.8Very high86 Ų8662.9 Ų62.971%0.71135%0.345SS*.SBendtrans-58.7-26.4171.400000113M161A108-M161 HydrophobicContact CB-SD 4.32Å
109E97.4Very high96.8Very high192 Ų19262.6 Ų62.690%0.89734%0.343SS*.SBendtrans-88.5-28.9-179.9-62.5175.9124.300112.6T107T107-E109 PolarHBondContact O-N 3.19Å; T107-E109 PolarHBondContact OG1-N 3.46Å; T107-E109 VanDerWaalsContact OG1-N 3.16Å
110S96.9Very high96.8Very high66 Ų6663.2 Ų63.246%0.46235%0.346SS..SBendtrans-103.916.3-177.581.20000113.3D106 T107 N112D106-S110 WeakPolarHBondContact CA-OG 3.48Å; T107-S110 PolarHBondContact N-OG 3.06Å; T107-S110 PolarHBondContact O-N 3.27Å; T107-S110 PolarHBondContact OG1-N 3.34Å; S110-N112 PolarHBondContact O-N 3.21Å
111F97.4Very high96.8Very high93 Ų9366.8 Ų66.841%0.40836%0.358SS..  trans-61.3128.8-174.2177.2-100.1000111.6T107 V113 Y116 M161T107-F111 PolarHBondContact O-N 3.22Å; T107-F111 VanDerWaalsContact O-N 3.13Å; F111-V113 HydrophobicContact CE1-CB 4.16Å; F111-Y116 HydrophobicContact CE2-CD1 4.33Å; F111-Y116 AromaticContact CE2-CD2 3.89Å; F111-Y116 HydrophobicContact CE2-CD2 3.89Å; F111-Y116 AromaticContact CE2-CG 3.66Å; F111-Y116 HydrophobicContact CE2-CG 3.66Å; F111-Y116 HydrophobicContact CZ-CD1 4.06Å; F111-Y116 HydrophobicContact CZ-CD2 4.44Å; F111-Y116 AromaticContact CZ-CG 3.82Å; F111-Y116 HydrophobicContact CZ-CG 3.82Å; F111-M161 HydrophobicContact CB-CE 4.41Å; F111-M161 HydrophobicContact CD2-CE 3.83Å; F111-M161 HydrophobicContact CG-CE 4.5Å
112N97.4Very high96.9Very high72 Ų7265.9 Ų65.939%0.38535%0.346SS..  trans-120.2119.4174.6-176.1-57.7000109.8S110 A114 E115 Y116S110-N112 PolarHBondContact O-N 3.21Å; N112-A114 PolarHBondContact O-N 3.46Å; N112-A114 WeakPolarHBondContact OD1-CB 3.48Å; N112-A114 PolarHBondContact OD1-N 3.31Å; N112-E115 HydrophobicContact CB-CB 4.14Å; N112-E115 HydrophobicContact CB-CG 4.11Å; N112-E115 PolarHBondContact O-N 3.47Å; N112-E115 PolarHBondContact OD1-N 3.07Å; N112-E115 VanDerWaalsContact OD1-N 3.1Å; N112-Y116 WeakPolarHBondContact O-CB 3.2Å; N112-Y116 PolarHBondContact O-N 2.97Å
113V97.9Very high97.1Very high85 Ų8564.7 Ų64.752%0.51534%0.338SS..Hα-helixtrans-62.4-40.1-176.366.90000112.8F111 Y116 E117F111-V113 HydrophobicContact CE1-CB 4.16Å; V113-Y116 PolarHBondContact O-N 2.87Å; V113-E117 HydrophobicContact CG2-CG 4.35Å; V113-E117 WeakPolarHBondContact O-CB 3.49Å; V113-E117 VanDerWaalsContact O-CG 3.27Å; V113-E117 WeakPolarHBondContact O-CG 3.36Å; V113-E117 PolarHBondContact O-N 3.22Å
114A98.1Very high97.3Very high59 Ų5964.3 Ų64.349%0.48834%0.336SS..Hα-helixtrans-70.3-40.2-177.600000111.7N112 E117 H118N112-A114 PolarHBondContact O-N 3.46Å; N112-A114 WeakPolarHBondContact OD1-CB 3.48Å; N112-A114 PolarHBondContact OD1-N 3.31Å; A114-E117 PolarHBondContact O-N 2.92Å; A114-H118 WeakPolarHBondContact O-CB 3.43Å; A114-H118 PolarHBondContact O-N 3.36Å
115E97Very high97.5Very high93 Ų9365.8 Ų65.844%0.43535%0.347SS..Hα-helixtrans-66.6-41.7174.7-65.1-171.1143.600111.5I104 N112 H118 L119I104-E115 HydrophobicContact CD1-CB 3.85Å; N112-E115 HydrophobicContact CB-CB 4.14Å; N112-E115 HydrophobicContact CB-CG 4.11Å; N112-E115 PolarHBondContact O-N 3.47Å; N112-E115 PolarHBondContact OD1-N 3.07Å; N112-E115 VanDerWaalsContact OD1-N 3.1Å; E115-H118 PolarHBondContact O-N 2.84Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.45Å
116Y98.2Very high97.8Very high65 Ų6560 Ų6026%0.25533%0.326SS..Hα-helixtrans-59.7-48.9173.6170.9-99.8000111.8F111 N112 V113 H118 L119 M120 S162 I165F111-Y116 HydrophobicContact CE2-CD1 4.33Å; F111-Y116 AromaticContact CE2-CD2 3.89Å; F111-Y116 HydrophobicContact CE2-CD2 3.89Å; F111-Y116 AromaticContact CE2-CG 3.66Å; F111-Y116 HydrophobicContact CE2-CG 3.66Å; F111-Y116 HydrophobicContact CZ-CD1 4.06Å; F111-Y116 HydrophobicContact CZ-CD2 4.44Å; F111-Y116 AromaticContact CZ-CG 3.82Å; F111-Y116 HydrophobicContact CZ-CG 3.82Å; N112-Y116 WeakPolarHBondContact O-CB 3.2Å; N112-Y116 PolarHBondContact O-N 2.97Å; V113-Y116 PolarHBondContact O-N 2.87Å; Y116-H118 PolarHBondContact O-N 3.45Å; Y116-L119 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 3.32Å; Y116-M120 HydrophobicContact CD1-CG 4.3Å; Y116-M120 HydrophobicContact CD2-CG 4.06Å; Y116-M120 HydrophobicContact CE1-CG 3.86Å; Y116-M120 HydrophobicContact CE2-CG 3.61Å; Y116-M120 HydrophobicContact CE2-SD 3.98Å; Y116-M120 HydrophobicContact CG-CG 4.4Å; Y116-M120 VanDerWaalsContact CZ-CG 3.5Å; Y116-M120 WeakPolarHBondContact O-CB 3.46Å; Y116-M120 VanDerWaalsContact O-CG 3.3Å; Y116-M120 WeakPolarHBondContact O-CG 3.48Å; Y116-M120 PolarHBondContact O-N 3.37Å; Y116-S162 WeakPolarHBondContact CD2-OG 3.44Å; Y116-I165 HydrophobicContact CE2-CG2 4.36Å
117E98.2Very high97.9Very high106 Ų10660.3 Ų60.350%0.49533%0.328SS..Hα-helixtrans-61.2-43.7178.9-77.2179.6169.100111.5V113 A114 M120 K121V113-E117 HydrophobicContact CG2-CG 4.35Å; V113-E117 WeakPolarHBondContact O-CB 3.49Å; V113-E117 VanDerWaalsContact O-CG 3.27Å; V113-E117 WeakPolarHBondContact O-CG 3.36Å; V113-E117 PolarHBondContact O-N 3.22Å; A114-E117 PolarHBondContact O-N 2.92Å; E117-M120 PolarHBondContact O-N 2.95Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.4Å; E117-K121 PolarHBondContact O-N 3.39Å
118H98Very high98Very high76 Ų7661.3 Ų61.335%0.35233%0.331SS..Hα-helixtrans-61.7-46.6175.2-179.674.7000111.8A114 E115 Y116 M120 K121 V122A114-H118 WeakPolarHBondContact O-CB 3.43Å; A114-H118 PolarHBondContact O-N 3.36Å; E115-H118 PolarHBondContact O-N 2.84Å; Y116-H118 PolarHBondContact O-N 3.45Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 2.95Å; H118-K121 WeakPolarHBondContact O-CB 3.26Å; H118-K121 PolarHBondContact O-N 2.89Å; H118-V122 WeakPolarHBondContact O-CG2 3.24Å; H118-V122 PolarHBondContact O-N 3.27Å; H118-V122 VanDerWaalsContact O-N 3.09Å
119L98.1Very high98.1Very high0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-57.1-46.4175.9179.282.9000111.5C102 I104 E115 Y116 V122 N123 S162 Y163C102-L119 WeakPolarHBondContact O-CD1 3.44Å; I104-L119 HydrophobicContact CD1-CB 4.21Å; I104-L119 HydrophobicContact CD1-CD2 4.01Å; I104-L119 HydrophobicContact CG1-CD1 4.35Å; I104-L119 HydrophobicContact CG1-CD2 3.96Å; I104-L119 HydrophobicContact CG2-CD1 4.4Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.45Å; Y116-L119 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 3.32Å; L119-V122 PolarHBondContact O-N 2.9Å; L119-N123 WeakPolarHBondContact CD1-ND2 3.2Å; L119-N123 VanDerWaalsContact O-CB 3.25Å; L119-N123 WeakPolarHBondContact O-CB 3.33Å; L119-N123 PolarHBondContact O-N 3.21Å; L119-S162 VanDerWaalsContact CD2-O 3.31Å; L119-S162 WeakPolarHBondContact CD2-O 3.47Å; L119-Y163 HydrophobicContact CD1-CD2 4.44Å
120M98.6Very high98.2Very high32 Ų3249.7 Ų49.716%0.15827%0.265CS..Hα-helixtrans-66.8-38.4179.6-70.7-59.5-67.400111.9Y116 E117 H118 V122 V124 T125 A169Y116-M120 HydrophobicContact CD1-CG 4.3Å; Y116-M120 HydrophobicContact CD2-CG 4.06Å; Y116-M120 HydrophobicContact CE1-CG 3.86Å; Y116-M120 HydrophobicContact CE2-CG 3.61Å; Y116-M120 HydrophobicContact CE2-SD 3.98Å; Y116-M120 HydrophobicContact CG-CG 4.4Å; Y116-M120 VanDerWaalsContact CZ-CG 3.5Å; Y116-M120 WeakPolarHBondContact O-CB 3.46Å; Y116-M120 VanDerWaalsContact O-CG 3.3Å; Y116-M120 WeakPolarHBondContact O-CG 3.48Å; Y116-M120 PolarHBondContact O-N 3.37Å; E117-M120 PolarHBondContact O-N 2.95Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 2.95Å; M120-V122 PolarHBondContact O-N 2.92Å; M120-V124 HydrophobicContact CE-CB 4.05Å; M120-V124 HydrophobicContact CE-CG1 4.35Å; M120-V124 HydrophobicContact CE-CG2 3.68Å; M120-V124 WeakPolarHBondContact O-CA 3.34Å; M120-V124 WeakPolarHBondContact O-CB 3.43Å; M120-V124 PolarHBondContact O-N 3.35Å; M120-V124 HydrophobicContact SD-CG2 4.04Å; M120-T125 PolarHBondContact O-N 3.15Å; M120-A169 HydrophobicContact CE-CB 4.42Å
121K98.5Very high98.3Very high93 Ų9346.7 Ų46.740%0.40424%0.244SC..Iπ-helixtrans-55.9-50.6173.2-78.1176.1176.4-172.80111.1A74 E117 H118 T125 A126A74-K121 HydrophobicContact CB-CB 4.49Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.4Å; E117-K121 PolarHBondContact O-N 3.39Å; H118-K121 WeakPolarHBondContact O-CB 3.26Å; H118-K121 PolarHBondContact O-N 2.89Å; K121-T125 WeakPolarHBondContact O-CB 3.45Å; K121-T125 PolarHBondContact O-N 3.08Å; K121-A126 WeakPolarHBondContact O-CB 3.42Å; K121-A126 PolarHBondContact O-N 3.27Å
122V98.3Very high98.3Very high15 Ų1547.5 Ų47.59%0.09125%0.252CS..Iπ-helixtrans-72.8-48.2-177.4178.60000112.3A74 H118 L119 M120 A126A74-V122 HydrophobicContact CB-CG2 3.91Å; H118-V122 WeakPolarHBondContact O-CG2 3.24Å; H118-V122 PolarHBondContact O-N 3.27Å; H118-V122 VanDerWaalsContact O-N 3.09Å; L119-V122 PolarHBondContact O-N 2.9Å; M120-V122 PolarHBondContact O-N 2.92Å; V122-A126 WeakPolarHBondContact O-CB 3.46Å
123N98.5Very high98.4Very high2 Ų246.1 Ų46.11%0.01124%0.244CC..Iπ-helixtrans-80.9-25.4-170.5-71.54.6000113.7G101 C102 L119 S166G101-N123 WeakPolarHBondContact CA-OD1 3.31Å; C102-N123 PolarHBondContact N-OD1 3.24Å; C102-N123 PolarHBondContact O-ND2 3.46Å; C102-N123 PolarHBondContact O-OD1 3.31Å; L119-N123 WeakPolarHBondContact CD1-ND2 3.2Å; L119-N123 VanDerWaalsContact O-CB 3.25Å; L119-N123 WeakPolarHBondContact O-CB 3.33Å; L119-N123 PolarHBondContact O-N 3.21Å; N123-S166 PolarHBondContact ND2-OG 3.47Å
124V98.7Very high98.4Very high10 Ų1042 Ų426%0.06122%0.22CC..Iπ-helixtrans-126.4-62.1-170-175.30000111.2M120 A126 A127 I128 S166 A169M120-V124 HydrophobicContact CE-CB 4.05Å; M120-V124 HydrophobicContact CE-CG1 4.35Å; M120-V124 HydrophobicContact CE-CG2 3.68Å; M120-V124 WeakPolarHBondContact O-CA 3.34Å; M120-V124 WeakPolarHBondContact O-CB 3.43Å; M120-V124 PolarHBondContact O-N 3.35Å; M120-V124 HydrophobicContact SD-CG2 4.04Å; V124-A126 PolarHBondContact O-N 3.19Å; V124-A127 PolarHBondContact O-N 3.1Å; V124-A127 VanDerWaalsContact O-N 3.1Å; V124-I128 HydrophobicContact CG1-CD1 3.71Å; V124-I128 HydrophobicContact CG1-CG1 4.4Å; V124-I128 WeakPolarHBondContact O-CG1 3.1Å; V124-I128 PolarHBondContact O-N 2.99Å; V124-S166 WeakPolarHBondContact CG2-O 3.31Å; V124-A169 HydrophobicContact CG1-CB 4.25Å; V124-A169 HydrophobicContact CG2-CB 4.03Å
125T98.6Very high98.5Very high57 Ų5740.9 Ų40.935%0.3521%0.205SC..Iπ-helixtrans-57.2-41.3-176-53.20000111M120 K121 A127 I128 T129M120-T125 PolarHBondContact O-N 3.15Å; K121-T125 WeakPolarHBondContact O-CB 3.45Å; K121-T125 PolarHBondContact O-N 3.08Å; T125-A127 PolarHBondContact O-N 3.12Å; T125-I128 PolarHBondContact O-N 2.89Å; T125-T129 WeakPolarHBondContact O-CB 3.36Å; T125-T129 PolarHBondContact O-N 3.03Å; T125-T129 PolarHBondContact O-OG1 2.98Å; T125-T129 VanDerWaalsContact O-OG1 3.07Å
126A98.7Very high98.6Very high6 Ų640.6 Ų40.65%0.0521%0.211CC..Hα-helixtrans-61-45.6178.500000113.4L73 I79 K121 V122 V124 T129 L130L73-A126 HydrophobicContact CB-CB 3.84Å; L73-A126 WeakPolarHBondContact O-CB 3.09Å; I79-A126 HydrophobicContact CD1-CB 3.79Å; K121-A126 WeakPolarHBondContact O-CB 3.42Å; K121-A126 PolarHBondContact O-N 3.27Å; V122-A126 WeakPolarHBondContact O-CB 3.46Å; V124-A126 PolarHBondContact O-N 3.19Å; A126-T129 PolarHBondContact O-N 3.45Å; A126-L130 VanDerWaalsContact O-CB 3.24Å; A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 3.07Å
127A98.7Very high98.6Very high7 Ų739.3 Ų39.36%0.05821%0.209CC..Hα-helixtrans-64.7-40.6178.400000111.4N98 V124 T125 T131 L170N98-A127 HydrophobicContact CB-CB 3.85Å; V124-A127 PolarHBondContact O-N 3.1Å; V124-A127 VanDerWaalsContact O-N 3.1Å; T125-A127 PolarHBondContact O-N 3.12Å; A127-T131 WeakPolarHBondContact O-CB 3.37Å; A127-T131 PolarHBondContact O-N 2.88Å; A127-T131 PolarHBondContact O-OG1 3.1Å; A127-L170 HydrophobicContact CB-CD1 3.81Å
128I98.7Very high98.6Very high72 Ų7234.2 Ų34.237%0.36919%0.185SC..Hα-helixtrans-64.1-52.1176.8-65.5174.2000110.4V124 T125 T131 N132 F173V124-I128 HydrophobicContact CG1-CD1 3.71Å; V124-I128 HydrophobicContact CG1-CG1 4.4Å; V124-I128 WeakPolarHBondContact O-CG1 3.1Å; V124-I128 PolarHBondContact O-N 2.99Å; T125-I128 PolarHBondContact O-N 2.89Å; I128-T131 PolarHBondContact O-N 3.1Å; I128-N132 WeakPolarHBondContact O-CB 3.41Å; I128-N132 PolarHBondContact O-N 3.25Å; I128-F173 HydrophobicContact CB-CE2 4.27Å; I128-F173 HydrophobicContact CB-CZ 4.4Å; I128-F173 HydrophobicContact CD1-CD2 4.32Å; I128-F173 HydrophobicContact CG1-CD1 4.4Å; I128-F173 HydrophobicContact CG1-CD2 3.72Å; I128-F173 HydrophobicContact CG1-CE1 4.34Å; I128-F173 HydrophobicContact CG1-CE2 3.67Å; I128-F173 HydrophobicContact CG1-CG 4.09Å; I128-F173 HydrophobicContact CG1-CZ 3.99Å; I128-F173 HydrophobicContact CG2-CE2 4.36Å
129T98.7Very high98.6Very high33 Ų3332 Ų3220%0.20218%0.18CC..Hα-helixtrans-63-47.7-177.4-60.70000111.6T76 I79 T125 A126 T131 N132 L133T76-T129 HydrophobicContact CG2-CG2 3.9Å; I79-T129 HydrophobicContact CG2-CG2 4.24Å; T125-T129 WeakPolarHBondContact O-CB 3.36Å; T125-T129 PolarHBondContact O-N 3.03Å; T125-T129 PolarHBondContact O-OG1 2.98Å; T125-T129 VanDerWaalsContact O-OG1 3.07Å; A126-T129 PolarHBondContact O-N 3.45Å; T129-T131 VanDerWaalsContact C-N 3.31Å; T129-T131 PolarHBondContact O-N 2.86Å; T129-N132 PolarHBondContact O-N 3.13Å; T129-L133 HydrophobicContact CG2-CD1 4.14Å; T129-L133 WeakPolarHBondContact O-CG 3.44Å; T129-L133 PolarHBondContact O-N 2.94Å
130L98.7Very high98.7Very high2 Ų236.3 Ų36.31%0.0122%0.215CC..Hα-helixtrans-64.5-38.4179.3-174.956.4000111.7I10 T12 I79 Y83 L96 A126 L133 A134I10-L130 HydrophobicContact CG2-CD2 4.25Å; T12-L130 HydrophobicContact CG2-CD2 3.44Å; T12-L130 VanDerWaalsContact CG2-CD2 3.44Å; I79-L130 HydrophobicContact CG2-CB 3.85Å; I79-L130 HydrophobicContact CG2-CD1 4.11Å; I79-L130 HydrophobicContact CG2-CG 4.48Å; Y83-L130 HydrophobicContact CD2-CD1 4.19Å; Y83-L130 HydrophobicContact CG-CD1 4.34Å; L96-L130 HydrophobicContact CD1-CD2 3.63Å; L96-L130 HydrophobicContact CD1-CG 3.85Å; L96-L130 HydrophobicContact CD2-CG 4.22Å; A126-L130 VanDerWaalsContact O-CB 3.24Å; A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 3.07Å; L130-L133 PolarHBondContact O-N 3.4Å; L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.45Å; L130-A134 PolarHBondContact O-N 3.13Å
131T98.8Very high98.6Very high3 Ų336.2 Ų36.22%0.01822%0.218CC..Hα-helixtrans-61.4-46.9173.4-63.60000111.1N98 A127 I128 T129 L133 A134 I135 I145 F173 T177N98-T131 PolarHBondContact ND2-OG1 2.97Å; N98-T131 VanDerWaalsContact ND2-OG1 3.17Å; A127-T131 WeakPolarHBondContact O-CB 3.37Å; A127-T131 PolarHBondContact O-N 2.88Å; A127-T131 PolarHBondContact O-OG1 3.1Å; I128-T131 PolarHBondContact O-N 3.1Å; T129-T131 VanDerWaalsContact C-N 3.31Å; T129-T131 PolarHBondContact O-N 2.86Å; T131-L133 VanDerWaalsContact C-N 3.34Å; T131-L133 PolarHBondContact O-N 2.87Å; T131-A134 PolarHBondContact O-N 2.91Å; T131-A134 VanDerWaalsContact O-N 3.14Å; T131-I135 WeakPolarHBondContact O-CG1 3.33Å; T131-I135 PolarHBondContact O-N 2.78Å; T131-I145 HydrophobicContact CG2-CD1 3.56Å; T131-F173 HydrophobicContact CG2-CZ 3.9Å; T131-T177 HydrophobicContact CG2-CG2 4.08Å
132N98.6Very high98.6Very high110 Ų11039.3 Ų39.359%0.58823%0.231SC*.Hα-helixtrans-58.1-46.9179.7-179.1-102.2000111.9I128 T129 A134 I135I128-N132 WeakPolarHBondContact O-CB 3.41Å; I128-N132 PolarHBondContact O-N 3.25Å; T129-N132 PolarHBondContact O-N 3.13Å; N132-A134 VanDerWaalsContact C-N 3.32Å; N132-A134 PolarHBondContact O-N 2.93Å; N132-I135 PolarHBondContact O-N 2.8Å
133L98.7Very high98.6Very high42 Ų4238.8 Ų38.822%0.2223%0.229CC..Hα-helixtrans-59.6-42.1175.8-70169.6000111.8I79 E80 Y83 T129 L130 T131 I135 P136I79-L133 HydrophobicContact CG2-CD1 4.39Å; E80-L133 HydrophobicContact CB-CD1 4.18Å; E80-L133 HydrophobicContact CG-CD1 4.35Å; E80-L133 HydrophobicContact CG-CD2 4.38Å; Y83-L133 HydrophobicContact CD1-CB 3.79Å; Y83-L133 HydrophobicContact CD1-CD1 4.28Å; Y83-L133 HydrophobicContact CD1-CD2 4.5Å; Y83-L133 HydrophobicContact CD1-CG 4.43Å; Y83-L133 HydrophobicContact CD2-CB 4.34Å; Y83-L133 HydrophobicContact CE1-CB 3.91Å; Y83-L133 HydrophobicContact CE2-CB 4.48Å; Y83-L133 HydrophobicContact CG-CB 4Å; Y83-L133 HydrophobicContact CG-CD1 4.39Å; Y83-L133 VanDerWaalsContact CZ-O 3.25Å; Y83-L133 PolarHBondContact OH-O 3.1Å; T129-L133 HydrophobicContact CG2-CD1 4.14Å; T129-L133 WeakPolarHBondContact O-CG 3.44Å; T129-L133 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 3.4Å; T131-L133 VanDerWaalsContact C-N 3.34Å; T131-L133 PolarHBondContact O-N 2.87Å; L133-I135 PolarHBondContact O-N 3.05Å; L133-P136 VanDerWaalsContact O-CD 3.23Å; L133-P136 WeakPolarHBondContact O-CD 3.33Å
134A98.7Very high98.6Very high0 Ų038.7 Ų38.70%023%0.229CC..Hα-helixtrans-76.1-13-174.500000115.6Y83 L93 L96 L130 T131 N132 P136 D137 L138Y83-A134 HydrophobicContact CE2-CB 4.08Å; L93-A134 HydrophobicContact CD2-CB 3.59Å; L96-A134 HydrophobicContact CD2-CB 4.1Å; L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.45Å; L130-A134 PolarHBondContact O-N 3.13Å; T131-A134 PolarHBondContact O-N 2.91Å; T131-A134 VanDerWaalsContact O-N 3.14Å; N132-A134 VanDerWaalsContact C-N 3.32Å; N132-A134 PolarHBondContact O-N 2.93Å; A134-P136 VanDerWaalsContact C-CD 3.5Å; A134-D137 PolarHBondContact O-N 2.58Å; A134-L138 HydrophobicContact CB-CD1 3.74Å; A134-L138 HydrophobicContact CB-CG 4.26Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.23Å; A134-L138 PolarHBondContact O-N 2.86Å
135I98.8Very high98.6Very high35 Ų3538.2 Ų38.218%0.17923%0.226CC..Hα-helixtrans-53.5-46.2-174.8-76162000113.4T131 N132 L133 D137 L138 A139 L181 K184 I186T131-I135 WeakPolarHBondContact O-CG1 3.33Å; T131-I135 PolarHBondContact O-N 2.78Å; N132-I135 PolarHBondContact O-N 2.8Å; L133-I135 PolarHBondContact O-N 3.05Å; I135-D137 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 3.44Å; I135-A139 VanDerWaalsContact O-CB 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.41Å; I135-A139 PolarHBondContact O-N 3.32Å; I135-L181 HydrophobicContact CD1-CD1 4.39Å; I135-L181 HydrophobicContact CD1-CD2 3.8Å; I135-L181 HydrophobicContact CG1-CD1 3.97Å; I135-L181 HydrophobicContact CG1-CD2 3.9Å; I135-L181 HydrophobicContact CG2-CD2 4.31Å; I135-K184 HydrophobicContact CG2-CD 4.03Å; I135-I186 HydrophobicContact CG2-CD1 4.46Å
136P98.6Very high98.6Very high87 Ų8735.5 Ų35.557%0.56521%0.209SC*.Hα-helixtrans-59.9-46.8-177.1-24.936.3000112.8L133 A134 A139 A140L133-P136 VanDerWaalsContact O-CD 3.23Å; L133-P136 WeakPolarHBondContact O-CD 3.33Å; A134-P136 VanDerWaalsContact C-CD 3.5Å; P136-A139 PolarHBondContact O-N 3.39Å; P136-A140 PolarHBondContact O-N 3.31Å
137D98.7Very high98.7Very high37 Ų3735.2 Ų35.220%0.19821%0.207CC..Hα-helixtrans-71.5-39.7-179.8-58.5-65.6000112.1Y83 I87 L93 A134 I135 A139 A140 S141Y83-D137 PolarHBondContact OH-OD2 2.82Å; I87-D137 HydrophobicContact CD1-CB 4.37Å; I87-D137 WeakPolarHBondContact CD1-OD2 3.39Å; L93-D137 HydrophobicContact CB-CB 3.71Å; A134-D137 PolarHBondContact O-N 2.58Å; I135-D137 PolarHBondContact O-N 2.92Å; D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 3.24Å; D137-A140 WeakPolarHBondContact O-CB 3.38Å; D137-A140 PolarHBondContact O-N 3.42Å; D137-S141 PolarHBondContact O-N 3.41Å; D137-S141 PolarHBondContact O-OG 3.13Å; D137-S141 VanDerWaalsContact O-OG 3.13Å
138L98.8Very high98.7Very high0 Ų035.2 Ų35.20%021%0.206CC..Hα-helixtrans-63.9-35.3175-71.6171.1000111.6L93 D94 L96 A134 I135 S141 K142 G143 I145 I186L93-L138 HydrophobicContact CD2-CD2 4.27Å; L93-L138 HydrophobicContact CD2-CG 4.08Å; L93-L138 HydrophobicContact CG-CD2 3.97Å; L93-L138 HydrophobicContact CG-CG 4.27Å; D94-L138 WeakPolarHBondContact O-CD2 3.4Å; L96-L138 HydrophobicContact CB-CD1 4.32Å; A134-L138 HydrophobicContact CB-CD1 3.74Å; A134-L138 HydrophobicContact CB-CG 4.26Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.23Å; A134-L138 PolarHBondContact O-N 2.86Å; I135-L138 PolarHBondContact O-N 3.44Å; L138-S141 PolarHBondContact O-N 3.11Å; L138-S141 PolarHBondContact O-OG 3.34Å; L138-K142 CarbonylContact O-C 3.58Å; L138-K142 WeakPolarHBondContact O-CA 3.46Å; L138-K142 PolarHBondContact O-N 2.71Å; L138-G143 PolarHBondContact O-N 3.31Å; L138-I145 HydrophobicContact CD1-CD1 3.76Å; L138-I145 HydrophobicContact CD1-CG1 3.58Å; L138-I186 HydrophobicContact CB-CD1 3.74Å; L138-I186 HydrophobicContact CB-CG1 4.04Å; L138-I186 HydrophobicContact CB-CG2 4.34Å
139A98.6Very high98.7Very high30 Ų3032 Ų3225%0.24819%0.19CC..Hα-helixtrans-67.8-41.6174.800000111I135 P136 D137 S141 K142 K184 I186I135-A139 VanDerWaalsContact O-CB 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.41Å; I135-A139 PolarHBondContact O-N 3.32Å; P136-A139 PolarHBondContact O-N 3.39Å; D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 3.24Å; A139-S141 VanDerWaalsContact C-N 3.28Å; A139-S141 PolarHBondContact O-N 2.92Å; A139-K142 PolarHBondContact O-N 3.47Å; A139-K184 HydrophobicContact CB-CB 4.12Å; A139-K184 HydrophobicContact CB-CD 4.4Å; A139-I186 HydrophobicContact CB-CD1 4.09Å
140A98.4Very high98.6Very high90 Ų9030.8 Ų30.874%0.74418%0.182SC*.Hα-helixtrans-61.3-37.5176.900000112.2P136 D137P136-A140 PolarHBondContact O-N 3.31Å; D137-A140 WeakPolarHBondContact O-CB 3.38Å; D137-A140 PolarHBondContact O-N 3.42Å
141S97.8Very high98.6Very high30 Ų3030.9 Ų30.921%0.2118%0.183CC..Hα-helixtrans-90-8.2179.964.50000114.9L93 D94 D137 L138 A139 G143L93-S141 VanDerWaalsContact O-CB 3.3Å; L93-S141 WeakPolarHBondContact O-CB 3.15Å; L93-S141 PolarHBondContact O-OG 3.22Å; D94-S141 WeakPolarHBondContact CA-OG 3.46Å; D137-S141 PolarHBondContact O-N 3.41Å; D137-S141 PolarHBondContact O-OG 3.13Å; D137-S141 VanDerWaalsContact O-OG 3.13Å; L138-S141 PolarHBondContact O-N 3.11Å; L138-S141 PolarHBondContact O-OG 3.34Å; A139-S141 VanDerWaalsContact C-N 3.28Å; A139-S141 PolarHBondContact O-N 2.92Å; S141-G143 VanDerWaalsContact C-N 3.26Å; S141-G143 PolarHBondContact OG-N 2.83Å
142K98.2Very high98.5Very high157 Ų15731.5 Ų31.568%0.68319%0.187SC*.THydrogen-bonded Turntrans51.349.3-165.5-57.5-177.8-179.1-178.40111.2L138 A139 G185L138-K142 CarbonylContact O-C 3.58Å; L138-K142 WeakPolarHBondContact O-CA 3.46Å; L138-K142 PolarHBondContact O-N 2.71Å; A139-K142 PolarHBondContact O-N 3.47Å; K142-G185 CarbonylContact C-O 3.48Å
143G98.5Very high98.4Very high4 Ų427 Ų274%0.04117%0.167CC..  trans-75.4-167.3-168.700000115.4D94 L138 S141 I186 R187D94-G143 CarbonylContact O-C 3.55Å; D94-G143 WeakPolarHBondContact O-CA 3.42Å; L138-G143 PolarHBondContact O-N 3.31Å; S141-G143 VanDerWaalsContact C-N 3.26Å; S141-G143 PolarHBondContact OG-N 2.83Å; G143-I186 WeakPolarHBondContact O-CA 3.37Å; G143-R187 PolarHBondContact O-N 2.94Å; G143-R187 VanDerWaalsContact O-N 3.13Å
144S98.8Very high98.2Very high1 Ų130.1 Ų30.11%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-137.1141.4-176.8-1660000111.6D94 I95 L96 R187 L240D94-S144 PolarHBondContact O-N 2.94Å; I95-S144 CarbonylContact C-O 3.57Å; I95-S144 VanDerWaalsContact CA-O 3.3Å; I95-S144 WeakPolarHBondContact CA-O 3.28Å; L96-S144 PolarHBondContact N-O 3.29Å; S144-R187 CarbonylContact C-O 3.52Å; S144-R187 WeakPolarHBondContact CA-O 3.34Å; S144-R187 PolarHBondContact OG-NH2 3.44Å; S144-L240 PolarHBondContact OG-O 3.5Å; S144-L240 VanDerWaalsContact OG-O 3.12Å
145I98.9Very high98Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-113.1131.4169.7-59.9161.1000107.9L96 T131 L138 L181 I186 R187 V188 N189L96-I145 HydrophobicContact CB-CG1 4.15Å; L96-I145 HydrophobicContact CD2-CG1 4.39Å; L96-I145 HydrophobicContact CD2-CG2 4.46Å; L96-I145 CarbonylContact O-C 3.4Å; L96-I145 VanDerWaalsContact O-CA 3.31Å; L96-I145 WeakPolarHBondContact O-CA 3.37Å; T131-I145 HydrophobicContact CG2-CD1 3.56Å; L138-I145 HydrophobicContact CD1-CD1 3.76Å; L138-I145 HydrophobicContact CD1-CG1 3.58Å; I145-L181 HydrophobicContact CD1-CD1 3.91Å; I145-I186 HydrophobicContact CD1-CG2 4.04Å; I145-I186 HydrophobicContact CG1-CG2 4.3Å; I145-R187 PolarHBondContact N-O 3.35Å; I145-V188 HydrophobicContact CB-CB 4.43Å; I145-V188 HydrophobicContact CB-CG1 4.06Å; I145-V188 HydrophobicContact CB-CG2 4.21Å; I145-V188 HydrophobicContact CD1-CG2 3.9Å; I145-V188 HydrophobicContact CG1-CG2 4.5Å; I145-V188 HydrophobicContact CG2-CG1 4.15Å; I145-V188 WeakPolarHBondContact O-CA 3.36Å; I145-N189 PolarHBondContact O-N 3.28Å
146V98.9Very high97.8Very high0 Ų039.1 Ų39.10%023%0.227CC..EExtended strand (participates in β ladder)trans-123.3112.8171.6-173.90000109.1L96 V97 N98 N189 V191 I237 L240 S241L96-V146 PolarHBondContact O-N 2.95Å; V97-V146 CarbonylContact C-O 3.48Å; V97-V146 WeakPolarHBondContact CA-O 3.45Å; N98-V146 PolarHBondContact N-O 3.4Å; V146-N189 CarbonylContact C-O 3.5Å; V146-N189 WeakPolarHBondContact CA-O 3.09Å; V146-V191 HydrophobicContact CG1-CG1 4.31Å; V146-I237 HydrophobicContact CB-CG2 4.26Å; V146-I237 HydrophobicContact CG1-CB 4.39Å; V146-I237 HydrophobicContact CG1-CG1 4.05Å; V146-I237 HydrophobicContact CG1-CG2 4.09Å; V146-L240 HydrophobicContact CG1-CB 4.48Å; V146-L240 HydrophobicContact CG1-CD1 4.26Å; V146-L240 HydrophobicContact CG2-CB 3.79Å; V146-S241 WeakPolarHBondContact CG2-OG 3.48Å
147N98.9Very high97.6Very high0 Ų037.7 Ų37.70%021%0.212CC..EExtended strand (participates in β ladder)trans-85140.4172.6-63.9-35.7000109.8N98 L170 T174 N189 S190 V191N98-N147 WeakPolarHBondContact CB-OD1 3.44Å; N98-N147 PolarHBondContact ND2-OD1 3.14Å; N147-L170 HydrophobicContact CB-CD1 4.25Å; N147-L170 HydrophobicContact CB-CD2 4.16Å; N147-L170 HydrophobicContact CB-CG 4.05Å; N147-T174 PolarHBondContact ND2-OG1 2.84Å; N147-N189 PolarHBondContact N-O 2.98Å; N147-S190 CarbonylContact O-C 3.53Å; N147-S190 VanDerWaalsContact O-CA 3.26Å; N147-S190 WeakPolarHBondContact O-CA 3.21Å; N147-S190 PolarHBondContact O-OG 3.07Å; N147-V191 PolarHBondContact O-N 3.43Å
148V98.8Very high97.3Very high7 Ų742.1 Ų42.14%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-100.393.7170.8-173.80000108.8I18 V97 N98 N99 K167 V191 P193 I237I18-V148 HydrophobicContact CD1-CG1 4.3Å; I18-V148 HydrophobicContact CG2-CG1 4.45Å; V97-V148 HydrophobicContact CG1-CG2 4.28Å; N98-V148 PolarHBondContact O-N 2.96Å; N99-V148 HydrophobicContact CB-CB 4.23Å; N99-V148 HydrophobicContact CB-CG2 3.6Å; V148-K167 PolarHBondContact O-NZ 3.5Å; V148-V191 HydrophobicContact CB-CG2 4.25Å; V148-V191 HydrophobicContact CG1-CG2 4.11Å; V148-V191 HydrophobicContact CG2-CG2 3.96Å; V148-P193 HydrophobicContact CG1-CG 4.25Å; V148-I237 HydrophobicContact CG2-CD1 3.85Å
149S98.5Very high97.1Very high4 Ų443.3 Ų43.33%0.02826%0.255CS..  trans-85.9-138.9176.5-170.90000110.8K167 D171 S190 V191 N192S149-K167 PolarHBondContact OG-O 2.89Å; S149-K167 VanDerWaalsContact OG-O 3.1Å; S149-D171 WeakPolarHBondContact CB-OD1 3.5Å; S149-D171 PolarHBondContact OG-OD1 3.18Å; S149-S190 WeakPolarHBondContact CB-OG 3.29Å; S149-V191 PolarHBondContact N-O 3.16Å; S149-N192 PolarHBondContact OG-ND2 3.11Å
150S98.3Very high97Very high7 Ų742.7 Ų42.75%0.04925%0.248CC..  trans-162.2160.8176.4-179.70000109.5C152 G153 N192 P193S150-C152 PolarHBondContact O-N 3.47Å; S150-C152 VanDerWaalsContact O-N 3.13Å; S150-C152 WeakPolarHBondContact OG-CB 3.27Å; S150-C152 PolarHBondContact OG-N 3.4Å; S150-C152 PolarHBondContact OG-SG 3.2Å; S150-C152 VanDerWaalsContact OG-SG 3.39Å; S150-G153 PolarHBondContact O-N 2.84Å; S150-N192 PolarHBondContact O-ND2 2.86Å; S150-P193 CarbonylContact C-O 3.41Å; S150-P193 WeakPolarHBondContact CA-O 3.48Å; S150-P193 PolarHBondContact OG-O 3.24Å
151V97.5Very high97Very high5 Ų541.3 Ų41.33%0.0323%0.227CC..G310 helixtrans-53.4-25.4160-640000112.4G153 K154 R155 F157 P193 A194 M254 D256V151-G153 PolarHBondContact O-N 2.94Å; V151-K154 PolarHBondContact O-N 3.02Å; V151-K154 VanDerWaalsContact O-N 3.1Å; V151-R155 PolarHBondContact O-N 3.04Å; V151-F157 HydrophobicContact CG2-CE2 3.93Å; V151-F157 HydrophobicContact CG2-CZ 4.16Å; V151-P193 PolarHBondContact N-O 3.18Å; V151-A194 HydrophobicContact CG1-CB 3.81Å; V151-A194 HydrophobicContact CG2-CB 3.93Å; V151-M254 HydrophobicContact CB-CE 4.45Å; V151-M254 HydrophobicContact CG1-CE 4.02Å; V151-D256 HydrophobicContact CG1-CB 3.51Å
152C97.1Very high97Very high15 Ų1539.9 Ų39.910%0.10122%0.217CC..G310 helixtrans-62.7-17.4174.7-61.60000113.8S150 R155 F157 Y163 C164S150-C152 PolarHBondContact O-N 3.47Å; S150-C152 VanDerWaalsContact O-N 3.13Å; S150-C152 WeakPolarHBondContact OG-CB 3.27Å; S150-C152 PolarHBondContact OG-N 3.4Å; S150-C152 PolarHBondContact OG-SG 3.2Å; S150-C152 VanDerWaalsContact OG-SG 3.39Å; C152-R155 CarbonylContact C-O 3.49Å; C152-R155 VanDerWaalsContact CA-O 3.26Å; C152-R155 WeakPolarHBondContact CA-O 3.44Å; C152-R155 VanDerWaalsContact O-O 3.06Å; C152-F157 HydrophobicContact CB-CD2 4.4Å; C152-F157 VanDerWaalsContact SG-CD2 3.52Å; C152-Y163 HydrophobicContact CB-CD1 3.91Å; C152-Y163 HydrophobicContact CB-CE1 3.8Å; C152-C164 WeakPolarHBondContact O-CA 3.38Å
153G96.9Very high97Very high15 Ų1533 Ų3316%0.15519%0.187CC..G310 helixtrans-75.6-24.5173.900000113.8S150 V151 A168S150-G153 PolarHBondContact O-N 2.84Å; V151-G153 PolarHBondContact O-N 2.94Å; G153-A168 WeakPolarHBondContact O-CB 3.31Å
154K95Very high96.9Very high109 Ų10933.6 Ų33.647%0.47419%0.19SC..THydrogen-bonded Turntrans-106.8-24.3175.8-75.1-176.5-179.5166.20113.9V151 M254V151-K154 PolarHBondContact O-N 3.02Å; V151-K154 VanDerWaalsContact O-N 3.1Å; K154-M254 HydrophobicContact CB-CE 4.35Å; K154-M254 HydrophobicContact CD-CE 3.72Å; K154-M254 HydrophobicContact CD-SD 3.94Å
155R94.9Very high96.9Very high115 Ų11537 Ų3743%0.43421%0.208SC..SBendtrans-123.9137.3-175.6-62.2-67.6-67.2-162.8-5.8109.7V151 C152 F157V151-R155 PolarHBondContact O-N 3.04Å; C152-R155 CarbonylContact C-O 3.49Å; C152-R155 VanDerWaalsContact CA-O 3.26Å; C152-R155 WeakPolarHBondContact CA-O 3.44Å; C152-R155 VanDerWaalsContact O-O 3.06Å; R155-F157 HydrophobicContact CB-CE2 3.76Å; R155-F157 HydrophobicContact CB-CZ 4.15Å
156S94.2Very high96.9Very high109 Ų10937 Ų3776%0.76221%0.208SC*.  trans-80.4140.717154.40000111
157F93.4Very high96.9Very high57 Ų5737.4 Ų37.425%0.2521%0.209CC..  trans-128.3138.4169.6-65.2-88000109.6V151 C152 R155 V160V151-F157 HydrophobicContact CG2-CE2 3.93Å; V151-F157 HydrophobicContact CG2-CZ 4.16Å; C152-F157 HydrophobicContact CB-CD2 4.4Å; C152-F157 VanDerWaalsContact SG-CD2 3.52Å; R155-F157 HydrophobicContact CB-CE2 3.76Å; R155-F157 HydrophobicContact CB-CZ 4.15Å; F157-V160 HydrophobicContact CB-CG2 3.76Å; F157-V160 WeakPolarHBondContact O-CG2 3.35Å
158P93Very high96.9Very high130 Ų13039.3 Ų39.384%0.84423%0.225SC*.THydrogen-bonded Turntrans-66.7144.4-179.427.2-33.9000111.6V160P158-V160 VanDerWaalsContact C-N 3.34Å
159G94.8Very high96.9Very high25 Ų2540.6 Ų40.626%0.25824%0.237SC..THydrogen-bonded Turntrans79.38.6175.600000115.7R105 D106R105-G159 CarbonylContact C-O 3.56Å; R105-G159 VanDerWaalsContact CA-O 3.26Å; R105-G159 WeakPolarHBondContact CA-O 3.23Å; D106-G159 PolarHBondContact N-O 3.11Å; D106-G159 CarbonylContact O-C 3.58Å; D106-G159 VanDerWaalsContact O-CA 3.31Å; D106-G159 WeakPolarHBondContact O-CA 3.48Å
160V95.9Very high96.9Very high17 Ų1740.6 Ų40.610%0.10324%0.236CC..BIsolated β-bridgetrans-140.639.6178.5-67.90000111M103 D106 F157 P158 S162 Y163 C164M103-V160 HydrophobicContact CG-CG1 4.46Å; M103-V160 HydrophobicContact SD-CG1 4.24Å; D106-V160 PolarHBondContact O-N 2.97Å; F157-V160 HydrophobicContact CB-CG2 3.76Å; F157-V160 WeakPolarHBondContact O-CG2 3.35Å; P158-V160 VanDerWaalsContact C-N 3.34Å; V160-S162 PolarHBondContact O-N 2.9Å; V160-Y163 WeakPolarHBondContact O-CB 3.48Å; V160-Y163 PolarHBondContact O-N 3.32Å; V160-C164 PolarHBondContact O-N 3.07Å
161M97.7Very high96.9Very high60 Ų6040.6 Ų40.630%0.29624%0.236SC..Hα-helixtrans-55.2-53.7-172.7179-176.569.300112.1D106 A108 F111 Y163 C164 I165D106-M161 PolarHBondContact O-N 2.88Å; D106-M161 PolarHBondContact OD1-N 3.5Å; A108-M161 HydrophobicContact CB-SD 4.32Å; F111-M161 HydrophobicContact CB-CE 4.41Å; F111-M161 HydrophobicContact CD2-CE 3.83Å; F111-M161 HydrophobicContact CG-CE 4.5Å; M161-Y163 VanDerWaalsContact C-N 3.28Å; M161-Y163 PolarHBondContact O-N 3.23Å; M161-C164 WeakPolarHBondContact O-CB 3.3Å; M161-C164 PolarHBondContact O-N 3.44Å; M161-I165 HydrophobicContact CG-CD1 4.13Å; M161-I165 WeakPolarHBondContact O-CG1 3.23Å; M161-I165 PolarHBondContact O-N 2.99Å
162S98.1Very high97Very high0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-63.8-35.6-179-71.70000112.1D106 Y116 L119 V160 I165 S166D106-S162 WeakPolarHBondContact OD1-CB 3.46Å; D106-S162 PolarHBondContact OD1-N 3.41Å; D106-S162 WeakPolarHBondContact OD2-CB 3.45Å; D106-S162 PolarHBondContact OD2-N 3.36Å; D106-S162 PolarHBondContact OD2-OG 2.94Å; Y116-S162 WeakPolarHBondContact CD2-OG 3.44Å; L119-S162 VanDerWaalsContact CD2-O 3.31Å; L119-S162 WeakPolarHBondContact CD2-O 3.47Å; V160-S162 PolarHBondContact O-N 2.9Å; S162-I165 PolarHBondContact O-N 3.19Å; S162-S166 PolarHBondContact O-N 3.36Å
163Y98Very high97.1Very high14 Ų1446 Ų466%0.05526%0.259CS..Hα-helixtrans-63.3-47.1174.2-178.6-100.5000111.7C102 M103 L119 C152 V160 M161 I165 S166 K167C102-Y163 VanDerWaalsContact O-CD2 3.31Å; C102-Y163 WeakPolarHBondContact O-CD2 3.4Å; C102-Y163 WeakPolarHBondContact O-CE2 3.46Å; M103-Y163 HydrophobicContact CB-CD2 3.88Å; M103-Y163 HydrophobicContact CB-CE2 4.1Å; M103-Y163 HydrophobicContact CB-CG 4.44Å; M103-Y163 HydrophobicContact CE-CD1 3.76Å; M103-Y163 HydrophobicContact CE-CD2 4.23Å; M103-Y163 HydrophobicContact CE-CE1 3.54Å; M103-Y163 HydrophobicContact CE-CE2 4.03Å; M103-Y163 HydrophobicContact CE-CG 4.1Å; M103-Y163 HydrophobicContact CG-CD2 4.01Å; M103-Y163 HydrophobicContact CG-CE2 4.48Å; M103-Y163 HydrophobicContact CG-CG 4.06Å; L119-Y163 HydrophobicContact CD1-CD2 4.44Å; C152-Y163 HydrophobicContact CB-CD1 3.91Å; C152-Y163 HydrophobicContact CB-CE1 3.8Å; V160-Y163 WeakPolarHBondContact O-CB 3.48Å; V160-Y163 PolarHBondContact O-N 3.32Å; M161-Y163 VanDerWaalsContact C-N 3.28Å; M161-Y163 PolarHBondContact O-N 3.23Å; Y163-I165 VanDerWaalsContact C-N 3.32Å; Y163-I165 PolarHBondContact O-N 3.06Å; Y163-S166 PolarHBondContact O-N 3.27Å; Y163-S166 PolarHBondContact O-OG 3.09Å; Y163-K167 HydrophobicContact CD1-CG 4.37Å; Y163-K167 HydrophobicContact CE1-CG 3.94Å; Y163-K167 HydrophobicContact CE2-CD 4.46Å; Y163-K167 HydrophobicContact CE2-CG 4.12Å; Y163-K167 WeakPolarHBondContact O-CG 3.47Å; Y163-K167 PolarHBondContact O-N 3.39Å; Y163-K167 WeakPolarHBondContact OH-CE 3.42Å
164C98.2Very high97.2Very high15 Ų1545.3 Ų45.310%0.10125%0.251CS..Hα-helixtrans-55-46.8173.3-78.30000111.5C152 V160 M161 S166 K167 A168C152-C164 WeakPolarHBondContact O-CA 3.38Å; V160-C164 PolarHBondContact O-N 3.07Å; M161-C164 WeakPolarHBondContact O-CB 3.3Å; M161-C164 PolarHBondContact O-N 3.44Å; C164-S166 PolarHBondContact O-N 3.46Å; C164-K167 PolarHBondContact O-N 3.05Å; C164-A168 WeakPolarHBondContact O-CB 3.38Å; C164-A168 PolarHBondContact O-N 3.27Å
165I98.5Very high97.3Very high74 Ų7444.4 Ų44.438%0.37925%0.247SC..Hα-helixtrans-58.3-48.6177-67.3167.7000110.9Y116 M161 S162 Y163 K167 A168 A169Y116-I165 HydrophobicContact CE2-CG2 4.36Å; M161-I165 HydrophobicContact CG-CD1 4.13Å; M161-I165 WeakPolarHBondContact O-CG1 3.23Å; M161-I165 PolarHBondContact O-N 2.99Å; S162-I165 PolarHBondContact O-N 3.19Å; Y163-I165 VanDerWaalsContact C-N 3.32Å; Y163-I165 PolarHBondContact O-N 3.06Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 2.86Å; I165-A168 PolarHBondContact O-N 3.42Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.28Å
166S98.7Very high97.5Very high0 Ų041.5 Ų41.50%024%0.244CC..Hα-helixtrans-60-38.1-179.777.90000112.6N123 V124 S162 Y163 C164 L170N123-S166 PolarHBondContact ND2-OG 3.47Å; V124-S166 WeakPolarHBondContact CG2-O 3.31Å; S162-S166 PolarHBondContact O-N 3.36Å; Y163-S166 PolarHBondContact O-N 3.27Å; Y163-S166 PolarHBondContact O-OG 3.09Å; C164-S166 PolarHBondContact O-N 3.46Å; S166-L170 PolarHBondContact O-N 3.34Å; S166-L170 VanDerWaalsContact O-N 3.09Å
167K98.6Very high97.8Very high7 Ų736.9 Ų36.93%0.0321%0.211CC..Hα-helixtrans-78.1-31.8179.6-64.5-56.9-170.7-179.80112.2V148 S149 Y163 C164 I165 L170 D171V148-K167 PolarHBondContact O-NZ 3.5Å; S149-K167 PolarHBondContact OG-O 2.89Å; S149-K167 VanDerWaalsContact OG-O 3.1Å; Y163-K167 HydrophobicContact CD1-CG 4.37Å; Y163-K167 HydrophobicContact CE1-CG 3.94Å; Y163-K167 HydrophobicContact CE2-CD 4.46Å; Y163-K167 HydrophobicContact CE2-CG 4.12Å; Y163-K167 WeakPolarHBondContact O-CG 3.47Å; Y163-K167 PolarHBondContact O-N 3.39Å; Y163-K167 WeakPolarHBondContact OH-CE 3.42Å; C164-K167 PolarHBondContact O-N 3.05Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 2.86Å; K167-L170 PolarHBondContact O-N 3.01Å; K167-D171 PolarHBondContact O-N 3.37Å
168A98.7Very high98Very high41 Ų4134.3 Ų34.334%0.33920%0.201SC..Hα-helixtrans-66.6-39.7170.700000111.6G153 C164 I165 L170 D171 Q172G153-A168 WeakPolarHBondContact O-CB 3.31Å; C164-A168 WeakPolarHBondContact O-CB 3.38Å; C164-A168 PolarHBondContact O-N 3.27Å; I165-A168 PolarHBondContact O-N 3.42Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 2.97Å; A168-D171 WeakPolarHBondContact O-CB 3.08Å; A168-D171 PolarHBondContact O-N 3.08Å; A168-Q172 PolarHBondContact O-N 2.92Å
169A98.8Very high98.3Very high34 Ų3434.5 Ų34.528%0.28119%0.194SC..Hα-helixtrans-60.8-42.9173.100000111.5M120 V124 I165 Q172 F173M120-A169 HydrophobicContact CE-CB 4.42Å; V124-A169 HydrophobicContact CG1-CB 4.25Å; V124-A169 HydrophobicContact CG2-CB 4.03Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.28Å; A169-Q172 PolarHBondContact O-N 3.25Å; A169-F173 VanDerWaalsContact O-CB 3.32Å; A169-F173 WeakPolarHBondContact O-CB 3.25Å; A169-F173 PolarHBondContact O-N 2.94Å
170L98.7Very high98.5Very high3 Ų338.6 Ų38.62%0.01621%0.21CC..Hα-helixtrans-67.3-34.8177.3-165.465.8000113A127 N147 S166 K167 A168 F173 T174A127-L170 HydrophobicContact CB-CD1 3.81Å; N147-L170 HydrophobicContact CB-CD1 4.25Å; N147-L170 HydrophobicContact CB-CD2 4.16Å; N147-L170 HydrophobicContact CB-CG 4.05Å; S166-L170 PolarHBondContact O-N 3.34Å; S166-L170 VanDerWaalsContact O-N 3.09Å; K167-L170 PolarHBondContact O-N 3.01Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 2.97Å; L170-F173 HydrophobicContact CD1-CD1 3.97Å; L170-T174 PolarHBondContact O-N 3.36Å; L170-T174 PolarHBondContact O-OG1 3.41Å
171D98.8Very high98.6Very high7 Ų738.2 Ų38.24%0.03721%0.207CC..Hα-helixtrans-62.9-44.4172.6-81.71.9000111.5S149 K167 A168 T174 K175 N192 L252S149-D171 WeakPolarHBondContact CB-OD1 3.5Å; S149-D171 PolarHBondContact OG-OD1 3.18Å; K167-D171 PolarHBondContact O-N 3.37Å; A168-D171 WeakPolarHBondContact O-CB 3.08Å; A168-D171 PolarHBondContact O-N 3.08Å; D171-T174 WeakPolarHBondContact O-CB 3.47Å; D171-T174 PolarHBondContact O-N 3.22Å; D171-K175 PolarHBondContact O-N 2.96Å; D171-N192 PolarHBondContact OD1-ND2 2.89Å; D171-N192 PolarHBondContact OD2-ND2 3.45Å; D171-N192 VanDerWaalsContact OD2-ND2 3.11Å; D171-L252 HydrophobicContact CB-CD1 3.78Å; D171-L252 HydrophobicContact CB-CD2 4.18Å
172Q98.8Very high98.6Very high104 Ų10437.7 Ų37.749%0.48621%0.213SC..Hα-helixtrans-71.7-39.3178-171.160.517.900111.7A168 A169 T174 K175 C176A168-Q172 PolarHBondContact O-N 2.92Å; A169-Q172 PolarHBondContact O-N 3.25Å; Q172-T174 VanDerWaalsContact C-N 3.27Å; Q172-T174 PolarHBondContact O-N 3.21Å; Q172-K175 PolarHBondContact O-N 2.95Å; Q172-K175 VanDerWaalsContact O-N 3.11Å; Q172-C176 PolarHBondContact NE2-SG 2.75Å; Q172-C176 PolarHBondContact O-N 3.15Å; Q172-C176 PolarHBondContact O-SG 2.85Å
173F98.8Very high98.7Very high30 Ų3043.3 Ų43.313%0.13225%0.249CC..Hα-helixtrans-55.2-44172.7172-113.6000111.5I128 T131 A169 L170 K175 T177I128-F173 HydrophobicContact CB-CE2 4.27Å; I128-F173 HydrophobicContact CB-CZ 4.4Å; I128-F173 HydrophobicContact CD1-CD2 4.32Å; I128-F173 HydrophobicContact CG1-CD1 4.4Å; I128-F173 HydrophobicContact CG1-CD2 3.72Å; I128-F173 HydrophobicContact CG1-CE1 4.34Å; I128-F173 HydrophobicContact CG1-CE2 3.67Å; I128-F173 HydrophobicContact CG1-CG 4.09Å; I128-F173 HydrophobicContact CG1-CZ 3.99Å; I128-F173 HydrophobicContact CG2-CE2 4.36Å; T131-F173 HydrophobicContact CG2-CZ 3.9Å; A169-F173 VanDerWaalsContact O-CB 3.32Å; A169-F173 WeakPolarHBondContact O-CB 3.25Å; A169-F173 PolarHBondContact O-N 2.94Å; L170-F173 HydrophobicContact CD1-CD1 3.97Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.82Å; F173-T177 WeakPolarHBondContact CD2-OG1 3.22Å; F173-T177 HydrophobicContact CE2-CG2 4.36Å; F173-T177 WeakPolarHBondContact CE2-OG1 3.45Å; F173-T177 HydrophobicContact CZ-CG2 4.33Å; F173-T177 WeakPolarHBondContact O-CB 3.37Å; F173-T177 PolarHBondContact O-N 2.94Å; F173-T177 PolarHBondContact O-OG1 3.36Å
174T98.9Very high98.7Very high0 Ų047.9 Ų47.90%027%0.269CS..Hα-helixtrans-54.1-49.4174.5-61.20000111.8N147 L170 D171 Q172 A178 V188 N189 L252N147-T174 PolarHBondContact ND2-OG1 2.84Å; L170-T174 PolarHBondContact O-N 3.36Å; L170-T174 PolarHBondContact O-OG1 3.41Å; D171-T174 WeakPolarHBondContact O-CB 3.47Å; D171-T174 PolarHBondContact O-N 3.22Å; Q172-T174 VanDerWaalsContact C-N 3.27Å; Q172-T174 PolarHBondContact O-N 3.21Å; T174-A178 VanDerWaalsContact O-CB 3.25Å; T174-A178 WeakPolarHBondContact O-CB 3.44Å; T174-A178 PolarHBondContact O-N 3.39Å; T174-V188 HydrophobicContact CG2-CG1 4.31Å; T174-N189 VanDerWaalsContact CG2-C 3.5Å; T174-L252 HydrophobicContact CG2-CD2 3.96Å
175K98.8Very high98.7Very high90 Ų9048.8 Ų48.839%0.39128%0.281SS..Hα-helixtrans-68.5-46.3-176.7-67.6175.4-175.3166.80112.6D171 Q172 F173 A178 L179D171-K175 PolarHBondContact O-N 2.96Å; Q172-K175 PolarHBondContact O-N 2.95Å; Q172-K175 VanDerWaalsContact O-N 3.11Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.82Å; K175-A178 PolarHBondContact O-N 3.38Å; K175-L179 PolarHBondContact O-N 3.27Å
176C98.8Very high98.7Very high54 Ų5445.3 Ų45.337%0.36526%0.263SS..Hα-helixtrans-61.9-50.3178.9-64.40000110.6Q172 A178 L179 D180Q172-C176 PolarHBondContact NE2-SG 2.75Å; Q172-C176 PolarHBondContact O-N 3.15Å; Q172-C176 PolarHBondContact O-SG 2.85Å; C176-A178 VanDerWaalsContact C-N 3.28Å; C176-A178 PolarHBondContact O-N 2.78Å; C176-L179 WeakPolarHBondContact O-CB 3.24Å; C176-L179 PolarHBondContact O-N 3.43Å; C176-D180 PolarHBondContact O-N 3.31Å; C176-D180 VanDerWaalsContact O-N 3.11Å
177T98.8Very high98.7Very high12 Ų1246.9 Ų46.97%0.07427%0.269CS..Hα-helixtrans-66.2-31.7-177.1-48.50000112.1T131 F173 L179 D180 L181 V188T131-T177 HydrophobicContact CG2-CG2 4.08Å; F173-T177 WeakPolarHBondContact CD2-OG1 3.22Å; F173-T177 HydrophobicContact CE2-CG2 4.36Å; F173-T177 WeakPolarHBondContact CE2-OG1 3.45Å; F173-T177 HydrophobicContact CZ-CG2 4.33Å; F173-T177 WeakPolarHBondContact O-CB 3.37Å; F173-T177 PolarHBondContact O-N 2.94Å; F173-T177 PolarHBondContact O-OG1 3.36Å; T177-L179 VanDerWaalsContact C-N 3.3Å; T177-L179 PolarHBondContact O-N 2.86Å; T177-D180 PolarHBondContact O-N 3.39Å; T177-L181 HydrophobicContact CG2-CD1 3.51Å; T177-L181 HydrophobicContact CG2-CG 3.81Å; T177-L181 WeakPolarHBondContact O-CB 3.36Å; T177-L181 VanDerWaalsContact O-CG 3.32Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 2.76Å; T177-V188 HydrophobicContact CG2-CG1 4.49Å; T177-V188 HydrophobicContact CG2-CG2 4.13Å
178A98.9Very high98.7Very high3 Ų346.6 Ų46.63%0.02527%0.268CS..Hα-helixtrans-59.5-40172.900000112.5T174 K175 C176 A182 V188 T249 G250T174-A178 VanDerWaalsContact O-CB 3.25Å; T174-A178 WeakPolarHBondContact O-CB 3.44Å; T174-A178 PolarHBondContact O-N 3.39Å; K175-A178 PolarHBondContact O-N 3.38Å; C176-A178 VanDerWaalsContact C-N 3.28Å; C176-A178 PolarHBondContact O-N 2.78Å; A178-A182 VanDerWaalsContact O-CB 3.26Å; A178-A182 WeakPolarHBondContact O-CB 2.88Å; A178-A182 PolarHBondContact O-N 3.4Å; A178-A182 VanDerWaalsContact O-N 3.13Å; A178-V188 HydrophobicContact CB-CB 4Å; A178-T249 WeakPolarHBondContact CB-OG1 3.46Å; A178-G250 VanDerWaalsContact CB-CA 3.48Å
179L98.7Very high98.8Very high134 Ų13444.6 Ų44.670%0.70225%0.252SS*.Hα-helixtrans-70.4-46177.3-63.7174.1000110.9K175 C176 T177 L181 P183K175-L179 PolarHBondContact O-N 3.27Å; C176-L179 WeakPolarHBondContact O-CB 3.24Å; C176-L179 PolarHBondContact O-N 3.43Å; T177-L179 VanDerWaalsContact C-N 3.3Å; T177-L179 PolarHBondContact O-N 2.86Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 3.4Å; L179-P183 WeakPolarHBondContact O-CD 3.18Å
180D98.6Very high98.8Very high112 Ų11243 Ų4360%0.59924%0.238SC*.Hα-helixtrans-63.4-36.2-177.9-66.2-21.6000112.6C176 T177C176-D180 PolarHBondContact O-N 3.31Å; C176-D180 VanDerWaalsContact O-N 3.11Å; T177-D180 PolarHBondContact O-N 3.39Å
181L98.8Very high98.8Very high8 Ų842.9 Ų42.94%0.04224%0.238CC..Hα-helixtrans-98.9-9.2-174.2-53.4-173.3000114.3I135 I145 T177 L179 K184 G185 I186 V188I135-L181 HydrophobicContact CD1-CD1 4.39Å; I135-L181 HydrophobicContact CD1-CD2 3.8Å; I135-L181 HydrophobicContact CG1-CD1 3.97Å; I135-L181 HydrophobicContact CG1-CD2 3.9Å; I135-L181 HydrophobicContact CG2-CD2 4.31Å; I145-L181 HydrophobicContact CD1-CD1 3.91Å; T177-L181 HydrophobicContact CG2-CD1 3.51Å; T177-L181 HydrophobicContact CG2-CG 3.81Å; T177-L181 WeakPolarHBondContact O-CB 3.36Å; T177-L181 VanDerWaalsContact O-CG 3.32Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 2.76Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 3.4Å; L181-K184 HydrophobicContact CD2-CD 4.25Å; L181-K184 WeakPolarHBondContact O-CA 3.46Å; L181-K184 WeakPolarHBondContact O-CB 3.31Å; L181-K184 PolarHBondContact O-N 3.26Å; L181-G185 PolarHBondContact O-N 3.46Å; L181-I186 HydrophobicContact CB-CB 3.87Å; L181-I186 HydrophobicContact CB-CD1 4.22Å; L181-I186 HydrophobicContact CB-CG2 4.38Å; L181-I186 HydrophobicContact CD1-CB 4.44Å; L181-I186 HydrophobicContact CD1-CD1 4.11Å; L181-I186 HydrophobicContact CD1-CG2 4.16Å; L181-I186 PolarHBondContact O-N 3.41Å; L181-V188 HydrophobicContact CD1-CG2 4.14Å
182A98.6Very high98.8Very high50 Ų5042.5 Ų42.541%0.41324%0.236SC..G310 helixtrans-55.8-42.5176.200000113.6A178 K184 G185A178-A182 VanDerWaalsContact O-CB 3.26Å; A178-A182 WeakPolarHBondContact O-CB 2.88Å; A178-A182 PolarHBondContact O-N 3.4Å; A178-A182 VanDerWaalsContact O-N 3.13Å; A182-K184 PolarHBondContact O-N 3.27Å; A182-K184 VanDerWaalsContact O-N 3.14Å; A182-G185 PolarHBondContact O-N 3.32Å
183P98.5Very high98.7Very high117 Ų11737.9 Ų37.976%0.7621%0.214SC*.G310 helixtrans-61.5-21.8175.4-24.735.5000114.2L179 G185L179-P183 WeakPolarHBondContact O-CD 3.18Å; P183-G185 VanDerWaalsContact C-N 3.32Å
184K98.6Very high98.6Very high111 Ų11137.2 Ų37.248%0.48322%0.215SC..G310 helixtrans-88.40.2175.6-60.9177.4-178.2-72.20112.8I135 A139 L181 A182 I186I135-K184 HydrophobicContact CG2-CD 4.03Å; A139-K184 HydrophobicContact CB-CB 4.12Å; A139-K184 HydrophobicContact CB-CD 4.4Å; L181-K184 HydrophobicContact CD2-CD 4.25Å; L181-K184 WeakPolarHBondContact O-CA 3.46Å; L181-K184 WeakPolarHBondContact O-CB 3.31Å; L181-K184 PolarHBondContact O-N 3.26Å; A182-K184 PolarHBondContact O-N 3.27Å; A182-K184 VanDerWaalsContact O-N 3.14Å; K184-I186 VanDerWaalsContact C-N 3.28Å; K184-I186 HydrophobicContact CB-CD1 4.16Å; K184-I186 HydrophobicContact CB-CG1 4.23Å; K184-I186 PolarHBondContact O-N 3.48Å
185G98.3Very high98.3Very high34 Ų3438 Ų3835%0.35122%0.219SC..THydrogen-bonded Turntrans73.716.1-176.900000114.3K142 L181 A182 P183K142-G185 CarbonylContact C-O 3.48Å; L181-G185 PolarHBondContact O-N 3.46Å; A182-G185 PolarHBondContact O-N 3.32Å; P183-G185 VanDerWaalsContact C-N 3.32Å
186I98.8Very high98.1Very high1 Ų134.2 Ų34.21%0.00520%0.203CC..  trans-93128.7177.3-53.7167.6000108.7I135 L138 A139 G143 I145 L181 K184 V188I135-I186 HydrophobicContact CG2-CD1 4.46Å; L138-I186 HydrophobicContact CB-CD1 3.74Å; L138-I186 HydrophobicContact CB-CG1 4.04Å; L138-I186 HydrophobicContact CB-CG2 4.34Å; A139-I186 HydrophobicContact CB-CD1 4.09Å; G143-I186 WeakPolarHBondContact O-CA 3.37Å; I145-I186 HydrophobicContact CD1-CG2 4.04Å; I145-I186 HydrophobicContact CG1-CG2 4.3Å; L181-I186 HydrophobicContact CB-CB 3.87Å; L181-I186 HydrophobicContact CB-CD1 4.22Å; L181-I186 HydrophobicContact CB-CG2 4.38Å; L181-I186 HydrophobicContact CD1-CB 4.44Å; L181-I186 HydrophobicContact CD1-CD1 4.11Å; L181-I186 HydrophobicContact CD1-CG2 4.16Å; L181-I186 PolarHBondContact O-N 3.41Å; K184-I186 VanDerWaalsContact C-N 3.28Å; K184-I186 HydrophobicContact CB-CD1 4.16Å; K184-I186 HydrophobicContact CB-CG1 4.23Å; K184-I186 PolarHBondContact O-N 3.48Å; I186-V188 HydrophobicContact CG2-CG2 4.35Å
187R98.8Very high97.6Very high33 Ų3334.8 Ų34.813%0.12521%0.205CC..EExtended strand (participates in β ladder)trans-93.3138.9174-62.5175.3-61102.86.9109.8G143 S144 I145 L240 S241 S242 S245 S246G143-R187 PolarHBondContact O-N 2.94Å; G143-R187 VanDerWaalsContact O-N 3.13Å; S144-R187 CarbonylContact C-O 3.52Å; S144-R187 WeakPolarHBondContact CA-O 3.34Å; S144-R187 PolarHBondContact OG-NH2 3.44Å; I145-R187 PolarHBondContact N-O 3.35Å; R187-L240 PolarHBondContact NH1-O 3.18Å; R187-L240 PolarHBondContact NH2-O 3.04Å; R187-S241 PolarHBondContact NH2-O 3.24Å; R187-S242 PolarHBondContact NH2-O 3.47Å; R187-S245 WeakPolarHBondContact CD-O 3.38Å; R187-S245 PolarHBondContact NH1-O 3.43Å; R187-S245 PolarHBondContact NH1-OG 3.44Å; R187-S246 WeakPolarHBondContact CD-O 3.38Å
188V98.9Very high97.1Very high0 Ų035.1 Ų35.10%021%0.207CC..EExtended strand (participates in β ladder)trans-129.9117178.5-171.50000108.7I145 T174 T177 A178 L181 I186 T249 G250I145-V188 HydrophobicContact CB-CB 4.43Å; I145-V188 HydrophobicContact CB-CG1 4.06Å; I145-V188 HydrophobicContact CB-CG2 4.21Å; I145-V188 HydrophobicContact CD1-CG2 3.9Å; I145-V188 HydrophobicContact CG1-CG2 4.5Å; I145-V188 HydrophobicContact CG2-CG1 4.15Å; I145-V188 WeakPolarHBondContact O-CA 3.36Å; T174-V188 HydrophobicContact CG2-CG1 4.31Å; T177-V188 HydrophobicContact CG2-CG1 4.49Å; T177-V188 HydrophobicContact CG2-CG2 4.13Å; A178-V188 HydrophobicContact CB-CB 4Å; L181-V188 HydrophobicContact CD1-CG2 4.14Å; I186-V188 HydrophobicContact CG2-CG2 4.35Å; V188-T249 PolarHBondContact N-OG1 2.89Å; V188-G250 WeakPolarHBondContact O-CA 3.31Å; V188-G250 PolarHBondContact O-N 3.49Å
189N98.9Very high96.5Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-133.3169.6179.6-64.8-72.8000110.6I145 V146 N147 T174 L240 T248 T249 G250 N251I145-N189 PolarHBondContact O-N 3.28Å; V146-N189 CarbonylContact C-O 3.5Å; V146-N189 WeakPolarHBondContact CA-O 3.09Å; N147-N189 PolarHBondContact N-O 2.98Å; T174-N189 VanDerWaalsContact CG2-C 3.5Å; N189-L240 HydrophobicContact CB-CD1 3.94Å; N189-L240 HydrophobicContact CB-CD2 4.04Å; N189-L240 HydrophobicContact CB-CG 4.39Å; N189-T248 PolarHBondContact ND2-O 3.01Å; N189-T249 WeakPolarHBondContact OD1-CA 3.35Å; N189-T249 PolarHBondContact OD1-N 3.45Å; N189-G250 PolarHBondContact OD1-N 3.28Å; N189-N251 WeakPolarHBondContact OD1-CB 3.31Å; N189-N251 PolarHBondContact OD1-N 2.79Å
190S98.9Very high95.9Very high0 Ų033.6 Ų33.60%020%0.197CC..EExtended strand (participates in β ladder)trans-126.6143.5173.5-1790000110.4N147 S149 N192 N251 L253N147-S190 CarbonylContact O-C 3.53Å; N147-S190 VanDerWaalsContact O-CA 3.26Å; N147-S190 WeakPolarHBondContact O-CA 3.21Å; N147-S190 PolarHBondContact O-OG 3.07Å; S149-S190 WeakPolarHBondContact CB-OG 3.29Å; S190-N192 WeakPolarHBondContact CB-OD1 3.43Å; S190-N192 PolarHBondContact OG-OD1 3.35Å; S190-N251 PolarHBondContact N-O 3.26Å; S190-L253 PolarHBondContact O-N 2.79Å
191V98.8Very high95.1Very high0 Ų029.5 Ų29.50%017%0.174CC..EExtended strand (participates in β ladder)trans-95.8141.3154.9-63.10000108.5V146 N147 V148 S149 P193 V233 A236 I237 L240 L253 V255V146-V191 HydrophobicContact CG1-CG1 4.31Å; N147-V191 PolarHBondContact O-N 3.43Å; V148-V191 HydrophobicContact CB-CG2 4.25Å; V148-V191 HydrophobicContact CG1-CG2 4.11Å; V148-V191 HydrophobicContact CG2-CG2 3.96Å; S149-V191 PolarHBondContact N-O 3.16Å; V191-P193 HydrophobicContact CG2-CG 4.42Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å; V191-V233 HydrophobicContact CB-CG1 4.5Å; V191-V233 HydrophobicContact CG2-CG1 3.91Å; V191-A236 HydrophobicContact CG1-CB 3.85Å; V191-I237 HydrophobicContact CB-CG1 4.48Å; V191-I237 HydrophobicContact CG1-CG1 3.9Å; V191-I237 HydrophobicContact CG2-CD1 4.1Å; V191-I237 HydrophobicContact CG2-CG1 3.74Å; V191-L240 HydrophobicContact CG1-CD1 3.67Å; V191-L253 CarbonylContact C-O 3.56Å; V191-L253 WeakPolarHBondContact CA-O 3.42Å; V191-V255 HydrophobicContact CB-CG2 4.28Å; V191-V255 HydrophobicContact CG1-CG2 4.4Å
192N98.6Very high94.6Very high0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-124.481.9-178.3-72.163.8000108.9S149 S150 D171 S190 L253 M254 V255S149-N192 PolarHBondContact OG-ND2 3.11Å; S150-N192 PolarHBondContact O-ND2 2.86Å; D171-N192 PolarHBondContact OD1-ND2 2.89Å; D171-N192 PolarHBondContact OD2-ND2 3.45Å; D171-N192 VanDerWaalsContact OD2-ND2 3.11Å; S190-N192 WeakPolarHBondContact CB-OD1 3.43Å; S190-N192 PolarHBondContact OG-OD1 3.35Å; N192-L253 PolarHBondContact N-O 3.2Å; N192-M254 HydrophobicContact CB-SD 3.55Å; N192-M254 VanDerWaalsContact CB-SD 3.55Å; N192-V255 PolarHBondContact O-N 2.9Å; N192-V255 VanDerWaalsContact O-N 3.11Å
193P98.2Very high94Very high6 Ų636.7 Ų36.74%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-71.9154.8-179.8-16.332000112.5I18 V148 S150 V151 V191 I196 V233 V255I18-P193 HydrophobicContact CD1-CG 4.13Å; V148-P193 HydrophobicContact CG1-CG 4.25Å; S150-P193 CarbonylContact C-O 3.41Å; S150-P193 WeakPolarHBondContact CA-O 3.48Å; S150-P193 PolarHBondContact OG-O 3.24Å; V151-P193 PolarHBondContact N-O 3.18Å; V191-P193 HydrophobicContact CG2-CG 4.42Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å; P193-I196 HydrophobicContact CB-CD1 4.13Å; P193-I196 HydrophobicContact CB-CG1 3.6Å; P193-V233 HydrophobicContact CB-CG2 3.91Å; P193-V233 HydrophobicContact CG-CG1 3.7Å; P193-V233 HydrophobicContact CG-CG2 3.91Å; P193-V255 WeakPolarHBondContact CA-O 3.17Å
194A95.5Very high93.2Very high17 Ų1732.2 Ų32.214%0.1416%0.162CC..  trans-94.3-132.2165.600000111.4V151 I196 H222 V255 D256 R259V151-A194 HydrophobicContact CG1-CB 3.81Å; V151-A194 HydrophobicContact CG2-CB 3.93Å; A194-I196 PolarHBondContact O-N 3.28Å; A194-I196 VanDerWaalsContact O-N 3.16Å; A194-H222 VanDerWaalsContact CB-NE2 3.31Å; A194-H222 WeakPolarHBondContact CB-NE2 3.29Å; A194-V255 PolarHBondContact N-O 3.31Å; A194-D256 HydrophobicContact CB-CB 3.68Å; A194-R259 HydrophobicContact CB-CB 3.73Å; A194-R259 HydrophobicContact CB-CG 3.8Å
195V94.1Very high92.6Very high16 Ų1630.1 Ų30.110%0.09717%0.172CC..SBendtrans-78.1106.4178.8-177.40000108.1F214 L215 A218 H222 T227 G228V195-F214 HydrophobicContact CB-CE1 4.45Å; V195-F214 HydrophobicContact CB-CZ 4.43Å; V195-F214 HydrophobicContact CG1-CD1 4.37Å; V195-F214 HydrophobicContact CG1-CE1 3.5Å; V195-F214 HydrophobicContact CG1-CZ 3.93Å; V195-F214 HydrophobicContact CG2-CE1 4.1Å; V195-F214 HydrophobicContact CG2-CE2 4.42Å; V195-F214 HydrophobicContact CG2-CZ 3.61Å; V195-L215 HydrophobicContact CG1-CD2 4.01Å; V195-A218 HydrophobicContact CB-CB 4.05Å; V195-A218 HydrophobicContact CG1-CB 3.95Å; V195-A218 HydrophobicContact CG2-CB 4.04Å; V195-H222 PolarHBondContact N-NE2 3.41Å; V195-T227 HydrophobicContact CB-CG2 4.08Å; V195-T227 HydrophobicContact CG1-CG2 3.66Å; V195-G228 PolarHBondContact O-N 2.81Å
196I93.1Very high92Very high10 Ų1029.4 Ų29.45%0.05116%0.16CC..BIsolated β-bridgetrans-110.7133.1174-51.4-59.6000108I18 P193 A194 T198 G228 T229 V230 V233I18-I196 HydrophobicContact CD1-CG1 4.43Å; I18-I196 HydrophobicContact CG1-CG2 4.33Å; P193-I196 HydrophobicContact CB-CD1 4.13Å; P193-I196 HydrophobicContact CB-CG1 3.6Å; A194-I196 PolarHBondContact O-N 3.28Å; A194-I196 VanDerWaalsContact O-N 3.16Å; I196-T198 HydrophobicContact CB-CG2 4.32Å; I196-T198 HydrophobicContact CG2-CG2 3.97Å; I196-T198 PolarHBondContact O-N 3.49Å; I196-T198 PolarHBondContact O-OG1 3.05Å; I196-G228 WeakPolarHBondContact CA-O 3.48Å; I196-T229 VanDerWaalsContact CG2-C 3.47Å; I196-V230 HydrophobicContact CG2-CB 4.49Å; I196-V230 HydrophobicContact CG2-CG1 3.79Å; I196-V233 HydrophobicContact CD1-CG2 3.7Å; I196-V233 HydrophobicContact CG1-CG2 3.79Å; I196-V233 HydrophobicContact CG2-CG2 4.44Å
197V89Confident91.5Very high67 Ų6731.9 Ų31.941%0.40618%0.177SC..SBendtrans-63.7103.8178.6-176.60000109.3L215 G228V197-L215 HydrophobicContact CG2-CD2 4.21Å; V197-G228 PolarHBondContact N-O 2.95Å
198T88Confident91.1Very high19 Ų1934.8 Ų34.812%0.11719%0.192CC..SBendtrans-152169-177.763.20000110.6I18 I196 L200 Y211 V230I18-T198 HydrophobicContact CG1-CG2 4.35Å; I196-T198 HydrophobicContact CB-CG2 4.32Å; I196-T198 HydrophobicContact CG2-CG2 3.97Å; I196-T198 PolarHBondContact O-N 3.49Å; I196-T198 PolarHBondContact O-OG1 3.05Å; T198-L200 PolarHBondContact O-N 3.31Å; T198-L200 PolarHBondContact OG1-N 3.17Å; T198-Y211 PolarHBondContact N-OH 3.06Å; T198-Y211 PolarHBondContact O-OH 3.49Å; T198-V230 HydrophobicContact CG2-CG1 3.54Å
199E85.9Confident90.7Very high61 Ų6139.1 Ų39.129%0.28522%0.215SC..THydrogen-bonded Turntrans-72.4-1.2174.7-62.1-55.1119.100114.3H201 R202 R203E199-H201 PolarHBondContact O-N 2.96Å; E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 IonicContact OE1-CZ 3.83Å; E199-R202 IonicContact OE1-NH1 2.79Å; E199-R202 PolarHBondContact OE1-NH1 3.47Å; E199-R202 VanDerWaalsContact OE2-CD 3.23Å; E199-R202 WeakPolarHBondContact OE2-CD 3.2Å; E199-R203 HydrophobicContact CB-CG 4.37Å; E199-R203 VanDerWaalsContact O-CB 3.26Å; E199-R203 WeakPolarHBondContact O-CB 3.25Å; E199-R203 VanDerWaalsContact O-CG 3.24Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 3.14Å
200L86.7Confident90.3Very high44 Ų4443 Ų4323%0.2324%0.236CC..Hα-helixtrans-59.6-47.4-173.7-177.366.4000112.1M103 T198 S204M103-L200 HydrophobicContact CB-CD1 4.13Å; M103-L200 HydrophobicContact CB-CG 4.24Å; M103-L200 HydrophobicContact CE-CD2 4.02Å; T198-L200 PolarHBondContact O-N 3.31Å; T198-L200 PolarHBondContact OG1-N 3.17Å; L200-S204 PolarHBondContact O-N 2.79Å
201H83Confident89.8Confident26 Ų2643 Ų4312%0.1224%0.236CC..Hα-helixtrans-71.6-40.6-179.3-72.1-64.1000112.4E199 R203 S204 M206 Y211 F214E199-H201 PolarHBondContact O-N 2.96Å; H201-R203 VanDerWaalsContact C-N 3.34Å; H201-R203 PolarHBondContact O-N 3.04Å; H201-S204 PolarHBondContact O-N 3.36Å; H201-S204 VanDerWaalsContact O-N 3.11Å; H201-S204 PolarHBondContact O-OG 3.31Å; H201-M206 HydrophobicContact CB-CE 3.92Å; H201-M206 HydrophobicContact CB-SD 4.1Å; H201-M206 VanDerWaalsContact O-CB 3.29Å; H201-M206 WeakPolarHBondContact O-CB 3.37Å; H201-M206 PolarHBondContact O-N 2.87Å; H201-Y211 HydrophobicContact CB-CD2 3.88Å; H201-Y211 HydrophobicContact CB-CE2 3.9Å; H201-F214 AromaticContact CD2-CE1 3.38Å; H201-F214 WeakPolarHBondContact CD2-CE1 3.43Å; H201-F214 AromaticContact CD2-CZ 3.97Å; H201-F214 AromaticContact CE1-CE1 3.92Å; H201-F214 AromaticContact CE1-CZ 3.72Å; H201-F214 AromaticContact NE2-CE1 3.32Å; H201-F214 VanDerWaalsContact NE2-CE1 3.32Å; H201-F214 WeakPolarHBondContact NE2-CE1 3.31Å; H201-F214 AromaticContact NE2-CZ 3.41Å; H201-F214 WeakPolarHBondContact NE2-CZ 3.17Å
202R86.3Confident89.4Confident72 Ų7249.1 Ų49.127%0.27226%0.264SS..Hα-helixtrans-58.4-46.6174-69177.9173.2125.1-0.5111.4E199 S204 G205 E208 Y211E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 IonicContact OE1-CZ 3.83Å; E199-R202 IonicContact OE1-NH1 2.79Å; E199-R202 PolarHBondContact OE1-NH1 3.47Å; E199-R202 VanDerWaalsContact OE2-CD 3.23Å; E199-R202 WeakPolarHBondContact OE2-CD 3.2Å; R202-S204 PolarHBondContact O-N 3.34Å; R202-G205 PolarHBondContact O-N 3.4Å; R202-E208 WeakPolarHBondContact CD-OE1 3.32Å; R202-E208 WeakPolarHBondContact CG-OE1 3.49Å; R202-E208 IonicContact CZ-OE1 3.94Å; R202-E208 IonicContact CZ-OE2 3.41Å; R202-E208 VanDerWaalsContact NE-CD 3.33Å; R202-E208 IonicContact NE-OE1 2.87Å; R202-E208 PolarHBondContact NE-OE1 3.33Å; R202-E208 IonicContact NE-OE2 2.96Å; R202-E208 PolarHBondContact NE-OE2 2.98Å; R202-E208 IonicContact NH2-OE2 2.95Å; R202-E208 PolarHBondContact NH2-OE2 3.29Å; R202-Y211 HydrophobicContact CG-CD1 4.47Å; R202-Y211 HydrophobicContact CG-CD2 4.41Å; R202-Y211 HydrophobicContact CG-CG 4.29Å
203R86.7Confident89Confident137 Ų13754.7 Ų54.752%0.51729%0.288SS..Hα-helixtrans-65.5-20.2176.8-73.5172.6166.6175-8.3114.1S16 E199 H201 G205S16-R203 PolarHBondContact OG-NH1 3.01Å; E199-R203 HydrophobicContact CB-CG 4.37Å; E199-R203 VanDerWaalsContact O-CB 3.26Å; E199-R203 WeakPolarHBondContact O-CB 3.25Å; E199-R203 VanDerWaalsContact O-CG 3.24Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 3.14Å; H201-R203 VanDerWaalsContact C-N 3.34Å; H201-R203 PolarHBondContact O-N 3.04Å; R203-G205 PolarHBondContact O-N 2.74Å
204S83.1Confident88.6Confident23 Ų2357.2 Ų57.216%0.16130%0.299CS..THydrogen-bonded Turntrans-82.66.7172.175.10000113.9L200 H201 R202L200-S204 PolarHBondContact O-N 2.79Å; H201-S204 PolarHBondContact O-N 3.36Å; H201-S204 VanDerWaalsContact O-N 3.11Å; H201-S204 PolarHBondContact O-OG 3.31Å; R202-S204 PolarHBondContact O-N 3.34Å
205G84.5Confident88.3Confident67 Ų6758 Ų5869%0.69130%0.3SS*.THydrogen-bonded Turntrans90.314.1177.900000115.1R202 R203R202-G205 PolarHBondContact O-N 3.4Å; R203-G205 PolarHBondContact O-N 2.74Å
206M86Confident88.1Confident19 Ų1960.6 Ų60.69%0.09432%0.32CS..  trans-72.6129.3174-167-175.8-74.900110H201 D210 Y211 F214H201-M206 HydrophobicContact CB-CE 3.92Å; H201-M206 HydrophobicContact CB-SD 4.1Å; H201-M206 VanDerWaalsContact O-CB 3.29Å; H201-M206 WeakPolarHBondContact O-CB 3.37Å; H201-M206 PolarHBondContact O-N 2.87Å; M206-D210 HydrophobicContact CG-CB 3.78Å; M206-Y211 WeakPolarHBondContact SD-CA 3.4Å; M206-Y211 HydrophobicContact SD-CD2 3.79Å; M206-Y211 HydrophobicContact SD-CG 4.29Å; M206-F214 HydrophobicContact CE-CB 4.14Å; M206-F214 HydrophobicContact CE-CD1 4.21Å; M206-F214 HydrophobicContact CE-CD2 4.27Å; M206-F214 HydrophobicContact CE-CG 3.95Å; M206-F214 HydrophobicContact SD-CB 3.97Å; M206-F214 HydrophobicContact SD-CD1 4.42Å; M206-F214 HydrophobicContact SD-CG 4.28Å
207S89.3Confident88Confident52 Ų5268.4 Ų68.436%0.36435%0.348SS..  trans-65.115517477.90000111.1N209 D210 Y211S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 2.94Å; S207-D210 PolarHBondContact O-N 3.26Å; S207-D210 VanDerWaalsContact O-N 3.16Å; S207-D210 WeakPolarHBondContact OG-CB 3.39Å; S207-D210 PolarHBondContact OG-N 3.38Å; S207-D210 VanDerWaalsContact OG-N 3.14Å; S207-D210 PolarHBondContact OG-OD2 2.68Å; S207-Y211 WeakPolarHBondContact O-CB 3.39Å; S207-Y211 PolarHBondContact O-N 3.23Å
208E89.1Confident87.9Confident94 Ų9465.4 Ų65.444%0.43933%0.33SS..Hα-helixtrans-59.3-39.6178.3-71.7-55.7130.200112.2R202 D210 Y211 E212R202-E208 WeakPolarHBondContact CD-OE1 3.32Å; R202-E208 WeakPolarHBondContact CG-OE1 3.49Å; R202-E208 IonicContact CZ-OE1 3.94Å; R202-E208 IonicContact CZ-OE2 3.41Å; R202-E208 VanDerWaalsContact NE-CD 3.33Å; R202-E208 IonicContact NE-OE1 2.87Å; R202-E208 PolarHBondContact NE-OE1 3.33Å; R202-E208 IonicContact NE-OE2 2.96Å; R202-E208 PolarHBondContact NE-OE2 2.98Å; R202-E208 IonicContact NH2-OE2 2.95Å; R202-E208 PolarHBondContact NH2-OE2 3.29Å; E208-D210 PolarHBondContact O-N 3.05Å; E208-Y211 WeakPolarHBondContact O-CB 3.32Å; E208-Y211 PolarHBondContact O-N 2.97Å; E208-E212 WeakPolarHBondContact O-CG 3.39Å; E208-E212 PolarHBondContact O-N 2.93Å
209N91.3Very high88Confident91 Ų9167.6 Ų67.649%0.48734%0.341SS..Hα-helixtrans-63-41.8176.7-175.836.3000112S207 Y211 K213S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 2.94Å; N209-Y211 VanDerWaalsContact C-N 3.3Å; N209-K213 PolarHBondContact ND2-NZ 3.41Å; N209-K213 WeakPolarHBondContact O-CG 3.38Å; N209-K213 PolarHBondContact O-N 3.28Å; N209-K213 VanDerWaalsContact O-N 3.16Å; N209-K213 WeakPolarHBondContact OD1-CE 3.37Å
210D89.6Confident88.3Confident82 Ų8272.1 Ų72.144%0.43936%0.362SS..Hα-helixtrans-70.8-30.8176-63.3-37.8000111.7M206 S207 E208 F214M206-D210 HydrophobicContact CG-CB 3.78Å; S207-D210 PolarHBondContact O-N 3.26Å; S207-D210 VanDerWaalsContact O-N 3.16Å; S207-D210 WeakPolarHBondContact OG-CB 3.39Å; S207-D210 PolarHBondContact OG-N 3.38Å; S207-D210 VanDerWaalsContact OG-N 3.14Å; S207-D210 PolarHBondContact OG-OD2 2.68Å; E208-D210 PolarHBondContact O-N 3.05Å; D210-F214 WeakPolarHBondContact O-CB 3.22Å; D210-F214 PolarHBondContact O-N 2.85Å
211Y89.3Confident88.5Confident1 Ų171 Ų710%0.00436%0.357CS..Hα-helixtrans-67.5-45.1175.6-175.8-108.1000112.1T198 H201 R202 M206 S207 E208 N209 K213 F214 L215T198-Y211 PolarHBondContact N-OH 3.06Å; T198-Y211 PolarHBondContact O-OH 3.49Å; H201-Y211 HydrophobicContact CB-CD2 3.88Å; H201-Y211 HydrophobicContact CB-CE2 3.9Å; R202-Y211 HydrophobicContact CG-CD1 4.47Å; R202-Y211 HydrophobicContact CG-CD2 4.41Å; R202-Y211 HydrophobicContact CG-CG 4.29Å; M206-Y211 WeakPolarHBondContact SD-CA 3.4Å; M206-Y211 HydrophobicContact SD-CD2 3.79Å; M206-Y211 HydrophobicContact SD-CG 4.29Å; S207-Y211 WeakPolarHBondContact O-CB 3.39Å; S207-Y211 PolarHBondContact O-N 3.23Å; E208-Y211 WeakPolarHBondContact O-CB 3.32Å; E208-Y211 PolarHBondContact O-N 2.97Å; N209-Y211 VanDerWaalsContact C-N 3.3Å; Y211-K213 PolarHBondContact O-N 3.23Å; Y211-F214 HydrophobicContact CD2-CD1 4.43Å; Y211-F214 WeakPolarHBondContact O-CB 3.48Å; Y211-F214 PolarHBondContact O-N 3.41Å; Y211-L215 HydrophobicContact CD1-CD1 4.03Å; Y211-L215 HydrophobicContact CD1-CG 4.41Å; Y211-L215 HydrophobicContact CE1-CD1 3.44Å; Y211-L215 VanDerWaalsContact CE1-CD1 3.44Å; Y211-L215 HydrophobicContact CE1-CG 4.03Å; Y211-L215 HydrophobicContact CE2-CD2 4.24Å; Y211-L215 HydrophobicContact CE2-CG 4.27Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 2.98Å
212E90.2Very high89Confident127 Ų12770 Ų7059%0.59335%0.353SS*.Hα-helixtrans-60.1-45.5173.8-73178.6178.200111.7E208 F214 L215 S216E208-E212 WeakPolarHBondContact O-CG 3.39Å; E208-E212 PolarHBondContact O-N 2.93Å; E212-F214 VanDerWaalsContact C-N 3.32Å; E212-F214 PolarHBondContact O-N 3.16Å; E212-L215 PolarHBondContact O-N 3.28Å; E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 2.51Å
213K91Very high89.4Confident117 Ų11769.5 Ų69.551%0.50936%0.364SS..Hα-helixtrans-61.5-40.5174.4-71.5172.3-174.1171.10112.1N209 Y211 S216 R217N209-K213 PolarHBondContact ND2-NZ 3.41Å; N209-K213 WeakPolarHBondContact O-CG 3.38Å; N209-K213 PolarHBondContact O-N 3.28Å; N209-K213 VanDerWaalsContact O-N 3.16Å; N209-K213 WeakPolarHBondContact OD1-CE 3.37Å; Y211-K213 PolarHBondContact O-N 3.23Å; K213-S216 PolarHBondContact O-N 2.97Å; K213-R217 WeakPolarHBondContact O-CB 3.49Å; K213-R217 PolarHBondContact O-N 3.43Å
214F88.9Confident89.8Confident59 Ų5968.8 Ų68.826%0.25937%0.37SS..Hα-helixtrans-63.2-44.3177.2171.5-104.3000111.6V195 H201 M206 D210 Y211 E212 R217 A218V195-F214 HydrophobicContact CB-CE1 4.45Å; V195-F214 HydrophobicContact CB-CZ 4.43Å; V195-F214 HydrophobicContact CG1-CD1 4.37Å; V195-F214 HydrophobicContact CG1-CE1 3.5Å; V195-F214 HydrophobicContact CG1-CZ 3.93Å; V195-F214 HydrophobicContact CG2-CE1 4.1Å; V195-F214 HydrophobicContact CG2-CE2 4.42Å; V195-F214 HydrophobicContact CG2-CZ 3.61Å; H201-F214 AromaticContact CD2-CE1 3.38Å; H201-F214 WeakPolarHBondContact CD2-CE1 3.43Å; H201-F214 AromaticContact CD2-CZ 3.97Å; H201-F214 AromaticContact CE1-CE1 3.92Å; H201-F214 AromaticContact CE1-CZ 3.72Å; H201-F214 AromaticContact NE2-CE1 3.32Å; H201-F214 VanDerWaalsContact NE2-CE1 3.32Å; H201-F214 WeakPolarHBondContact NE2-CE1 3.31Å; H201-F214 AromaticContact NE2-CZ 3.41Å; H201-F214 WeakPolarHBondContact NE2-CZ 3.17Å; M206-F214 HydrophobicContact CE-CB 4.14Å; M206-F214 HydrophobicContact CE-CD1 4.21Å; M206-F214 HydrophobicContact CE-CD2 4.27Å; M206-F214 HydrophobicContact CE-CG 3.95Å; M206-F214 HydrophobicContact SD-CB 3.97Å; M206-F214 HydrophobicContact SD-CD1 4.42Å; M206-F214 HydrophobicContact SD-CG 4.28Å; D210-F214 WeakPolarHBondContact O-CB 3.22Å; D210-F214 PolarHBondContact O-N 2.85Å; Y211-F214 HydrophobicContact CD2-CD1 4.43Å; Y211-F214 WeakPolarHBondContact O-CB 3.48Å; Y211-F214 PolarHBondContact O-N 3.41Å; E212-F214 VanDerWaalsContact C-N 3.32Å; E212-F214 PolarHBondContact O-N 3.16Å; F214-R217 PolarHBondContact O-N 3.21Å; F214-A218 VanDerWaalsContact O-CB 3.32Å; F214-A218 WeakPolarHBondContact O-CB 3.43Å; F214-A218 PolarHBondContact O-N 3.13Å
215L89.8Confident90.4Very high33 Ų3369.8 Ų69.817%0.17338%0.384CS..Hα-helixtrans-65.3-42.2175.8-69.1-176.5000112.1V195 V197 Y211 E212 A218 N219 T227V195-L215 HydrophobicContact CG1-CD2 4.01Å; V197-L215 HydrophobicContact CG2-CD2 4.21Å; Y211-L215 HydrophobicContact CD1-CD1 4.03Å; Y211-L215 HydrophobicContact CD1-CG 4.41Å; Y211-L215 HydrophobicContact CE1-CD1 3.44Å; Y211-L215 VanDerWaalsContact CE1-CD1 3.44Å; Y211-L215 HydrophobicContact CE1-CG 4.03Å; Y211-L215 HydrophobicContact CE2-CD2 4.24Å; Y211-L215 HydrophobicContact CE2-CG 4.27Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 2.98Å; E212-L215 PolarHBondContact O-N 3.28Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3.44Å; L215-N219 PolarHBondContact O-N 3.03Å; L215-T227 HydrophobicContact CD2-CG2 4.06Å
216S90.4Very high90.9Very high72 Ų7271.7 Ų71.750%0.50337%0.371SS..Hα-helixtrans-59.9-50.8175.6178.10000111.1E212 K213 A218 N219E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 2.51Å; K213-S216 PolarHBondContact O-N 2.97Å; S216-A218 PolarHBondContact O-N 2.71Å; S216-N219 VanDerWaalsContact O-CB 3.31Å; S216-N219 WeakPolarHBondContact O-CB 3.38Å; S216-N219 PolarHBondContact O-N 2.95Å; S216-N219 VanDerWaalsContact O-N 3.09Å
217R89Confident91.3Very high174 Ų17471.9 Ų71.966%0.65737%0.373SS*.Hα-helixtrans-59.1-36.4175.5-175.8178.1-179-173.62111.8K213 F214 N219 E220 T221K213-R217 WeakPolarHBondContact O-CB 3.49Å; K213-R217 PolarHBondContact O-N 3.43Å; F214-R217 PolarHBondContact O-N 3.21Å; R217-N219 PolarHBondContact O-N 3.38Å; R217-E220 PolarHBondContact O-N 2.89Å; R217-T221 HydrophobicContact CG-CG2 4.34Å; R217-T221 VanDerWaalsContact O-CB 3.27Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 WeakPolarHBondContact O-CG2 3.31Å
218A88.7Confident91.6Very high3 Ų369.9 Ų69.93%0.02536%0.36CS..Hα-helixtrans-60.7-28.1-179.700000112.4V195 F214 L215 S216 E220 T221 H222 T227V195-A218 HydrophobicContact CB-CB 4.05Å; V195-A218 HydrophobicContact CG1-CB 3.95Å; V195-A218 HydrophobicContact CG2-CB 4.04Å; F214-A218 VanDerWaalsContact O-CB 3.32Å; F214-A218 WeakPolarHBondContact O-CB 3.43Å; F214-A218 PolarHBondContact O-N 3.13Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3.44Å; S216-A218 PolarHBondContact O-N 2.71Å; A218-E220 PolarHBondContact O-N 3.26Å; A218-T221 WeakPolarHBondContact O-CA 3.37Å; A218-T221 VanDerWaalsContact O-CB 3.25Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.24Å; A218-T221 VanDerWaalsContact O-N 3.1Å; A218-T221 PolarHBondContact O-OG1 3.04Å; A218-T221 VanDerWaalsContact O-OG1 3.13Å; A218-H222 PolarHBondContact O-N 3.25Å; A218-H222 VanDerWaalsContact O-N 3.14Å; A218-H222 PolarHBondContact O-ND1 3.41Å; A218-T227 HydrophobicContact CB-CG2 3.39Å
219N89.7Confident91.9Very high65 Ų6568 Ų6835%0.34836%0.355SS..Hα-helixtrans-62.7-38.9176.3-63.9-18.9000112.7L215 S216 R217 T221 G225 R226 T227L215-N219 PolarHBondContact O-N 3.03Å; S216-N219 VanDerWaalsContact O-CB 3.31Å; S216-N219 WeakPolarHBondContact O-CB 3.38Å; S216-N219 PolarHBondContact O-N 2.95Å; S216-N219 VanDerWaalsContact O-N 3.09Å; R217-N219 PolarHBondContact O-N 3.38Å; N219-T221 PolarHBondContact O-N 3.47Å; N219-G225 WeakPolarHBondContact CB-O 3.25Å; N219-G225 CarbonylContact O-C 3.23Å; N219-G225 VanDerWaalsContact O-C 3.23Å; N219-G225 WeakPolarHBondContact O-CA 3.27Å; N219-R226 WeakPolarHBondContact OD1-CA 3.5Å; N219-T227 PolarHBondContact OD1-N 3.12Å
220E91Very high92.3Very high156 Ų15664.7 Ų64.773%0.72934%0.338SS*.THydrogen-bonded Turntrans-73-11.8176.7-59.5174.8177.100113.2R217 A218R217-E220 PolarHBondContact O-N 2.89Å; A218-E220 PolarHBondContact O-N 3.26Å
221T91.3Very high92.7Very high20 Ų2066 Ų6612%0.12334%0.342CS..THydrogen-bonded Turntrans-108.2-20.7-159.4120.50000110.2R217 A218 N219 R259R217-T221 HydrophobicContact CG-CG2 4.34Å; R217-T221 VanDerWaalsContact O-CB 3.27Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 WeakPolarHBondContact O-CG2 3.31Å; A218-T221 WeakPolarHBondContact O-CA 3.37Å; A218-T221 VanDerWaalsContact O-CB 3.25Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.24Å; A218-T221 VanDerWaalsContact O-N 3.1Å; A218-T221 PolarHBondContact O-OG1 3.04Å; A218-T221 VanDerWaalsContact O-OG1 3.13Å; N219-T221 PolarHBondContact O-N 3.47Å; T221-R259 VanDerWaalsContact CA-NH1 3.31Å; T221-R259 VanDerWaalsContact CB-CZ 3.43Å; T221-R259 VanDerWaalsContact CG2-CZ 3.46Å; T221-R259 WeakPolarHBondContact O-CD 3.45Å; T221-R259 PolarHBondContact O-NH1 3.47Å; T221-R259 WeakPolarHBondContact OG1-CD 3.49Å; T221-R259 PolarHBondContact OG1-NE 2.89Å; T221-R259 PolarHBondContact OG1-NH1 2.88Å; T221-R259 PolarHBondContact OG1-NH2 3.46Å
222H93Very high93.1Very high7 Ų769.2 Ų69.23%0.03236%0.357CS..SBendtrans-97140.5170.2-65.563.7000109.1A194 V195 A218 L224 G225 R226 D256A194-H222 VanDerWaalsContact CB-NE2 3.31Å; A194-H222 WeakPolarHBondContact CB-NE2 3.29Å; V195-H222 PolarHBondContact N-NE2 3.41Å; A218-H222 PolarHBondContact O-N 3.25Å; A218-H222 VanDerWaalsContact O-N 3.14Å; A218-H222 PolarHBondContact O-ND1 3.41Å; H222-L224 PolarHBondContact O-N 3.41Å; H222-G225 PolarHBondContact O-N 3.38Å; H222-R226 VanDerWaalsContact CB-O 3.31Å; H222-R226 WeakPolarHBondContact CB-O 3.43Å; H222-R226 VanDerWaalsContact CG-O 3.31Å; H222-D256 PolarHBondContact CD2-O 3.33Å
223A95Very high93.5Very high61 Ų6163.2 Ų63.250%0.50433%0.329SS..THydrogen-bonded Turntrans-61.8-31.8177.300000112.4G225 G257 M262A223-G225 PolarHBondContact O-N 3.37Å; A223-G257 WeakPolarHBondContact CA-O 3.23Å; A223-G257 WeakPolarHBondContact CB-O 3.48Å; A223-G257 PolarHBondContact N-O 3.33Å; A223-M262 HydrophobicContact CB-CG 4.34Å; A223-M262 HydrophobicContact CB-SD 3.72Å
224L96.6Very high93.8Very high121 Ų12157.7 Ų57.763%0.63431%0.305SS*.THydrogen-bonded Turntrans-76.62174.4-65.1-174.9000114.3H222 R226 G257H222-L224 PolarHBondContact O-N 3.41Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 2.87Å; L224-G257 PolarHBondContact N-O 3.16Å
225G94.7Very high94.3Very high45 Ų4559.6 Ų59.646%0.46432%0.315SS..SBendtrans74.210.6173.900000115.3N219 H222 A223N219-G225 WeakPolarHBondContact CB-O 3.25Å; N219-G225 CarbonylContact O-C 3.23Å; N219-G225 VanDerWaalsContact O-C 3.23Å; N219-G225 WeakPolarHBondContact O-CA 3.27Å; H222-G225 PolarHBondContact O-N 3.38Å; A223-G225 PolarHBondContact O-N 3.37Å
226R95.4Very high94.7Very high107 Ų10758.7 Ų58.740%0.40431%0.312SS..SBendtrans-151.9162-179.364.5167.9179.687.1-4.9113.3N219 H222 L224 E232N219-R226 WeakPolarHBondContact OD1-CA 3.5Å; H222-R226 VanDerWaalsContact CB-O 3.31Å; H222-R226 WeakPolarHBondContact CB-O 3.43Å; H222-R226 VanDerWaalsContact CG-O 3.31Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 2.87Å; R226-E232 IonicContact CZ-OE1 3.27Å; R226-E232 IonicContact CZ-OE2 3.32Å; R226-E232 IonicContact NH1-OE1 3.9Å; R226-E232 PolarHBondContact NH1-OE1 3.11Å; R226-E232 IonicContact NH1-OE2 3.36Å; R226-E232 PolarHBondContact NH1-OE2 3.07Å; R226-E232 IonicContact NH2-OE1 3.4Å; R226-E232 PolarHBondContact NH2-OE1 3.3Å; R226-E232 IonicContact NH2-OE2 3.22Å
227T93.9Very high95.1Very high23 Ų2355.3 Ų55.314%0.14129%0.288CS..PPolyproline II helixtrans-70157.5164.6530000112.1V195 L215 A218 N219V195-T227 HydrophobicContact CB-CG2 4.08Å; V195-T227 HydrophobicContact CG1-CG2 3.66Å; L215-T227 HydrophobicContact CD2-CG2 4.06Å; A218-T227 HydrophobicContact CB-CG2 3.39Å; N219-T227 PolarHBondContact OD1-N 3.12Å
228G95.6Very high95.6Very high9 Ų947 Ų479%0.09326%0.257CS..BIsolated β-bridgetrans-88.5162.4175.800000112.9V195 I196 V197 E232V195-G228 PolarHBondContact O-N 2.81Å; I196-G228 WeakPolarHBondContact CA-O 3.48Å; V197-G228 PolarHBondContact N-O 2.95Å; G228-E232 WeakPolarHBondContact CA-OE2 3.4Å
229T96.6Very high96.1Very high55 Ų5550.3 Ų50.334%0.33727%0.271SS..PPolyproline II helixtrans-103.1161.9174.686.20000112.3I196 E231 E232 V233I196-T229 VanDerWaalsContact CG2-C 3.47Å; T229-E231 WeakPolarHBondContact CB-OE2 3.19Å; T229-E231 PolarHBondContact O-N 3.18Å; T229-E231 PolarHBondContact OG1-N 2.91Å; T229-E231 PolarHBondContact OG1-OE2 2.68Å; T229-E232 PolarHBondContact N-OE2 3.11Å; T229-E232 PolarHBondContact O-N 2.86Å; T229-E232 PolarHBondContact OG1-N 2.89Å; T229-V233 PolarHBondContact O-N 2.93Å
230V98Very high96.5Very high22 Ų2247.3 Ų47.313%0.13325%0.254CS..Hα-helixtrans-65.6-30.2177-65.70000111.7I18 A21 I196 T198 V233 A234I18-V230 HydrophobicContact CG1-CG1 4.21Å; A21-V230 HydrophobicContact CB-CB 3.7Å; A21-V230 HydrophobicContact CB-CG2 3.59Å; I196-V230 HydrophobicContact CG2-CB 4.49Å; I196-V230 HydrophobicContact CG2-CG1 3.79Å; T198-V230 HydrophobicContact CG2-CG1 3.54Å; V230-V233 PolarHBondContact O-N 3.46Å; V230-A234 WeakPolarHBondContact O-CB 3.38Å; V230-A234 PolarHBondContact O-N 3.49Å
231E98.1Very high96.8Very high109 Ų10940.2 Ų40.251%0.50922%0.222SC..Hα-helixtrans-65.8-40.3175.7-61.970.5-153.500111.5T229 V233 A234 Q235T229-E231 WeakPolarHBondContact CB-OE2 3.19Å; T229-E231 PolarHBondContact O-N 3.18Å; T229-E231 PolarHBondContact OG1-N 2.91Å; T229-E231 PolarHBondContact OG1-OE2 2.68Å; E231-V233 VanDerWaalsContact C-N 3.3Å; E231-V233 PolarHBondContact O-N 3.28Å; E231-A234 PolarHBondContact O-N 3.12Å; E231-Q235 VanDerWaalsContact O-CG 3.28Å; E231-Q235 WeakPolarHBondContact O-CG 3.38Å; E231-Q235 PolarHBondContact O-N 3.41Å
232E98Very high97.2Very high69 Ų6939.5 Ų39.532%0.32222%0.218SC..Hα-helixtrans-61.5-40.4177.9-68.7177.6128.100111.5R226 G228 T229 A236R226-E232 IonicContact CZ-OE1 3.27Å; R226-E232 IonicContact CZ-OE2 3.32Å; R226-E232 IonicContact NH1-OE1 3.9Å; R226-E232 PolarHBondContact NH1-OE1 3.11Å; R226-E232 IonicContact NH1-OE2 3.36Å; R226-E232 PolarHBondContact NH1-OE2 3.07Å; R226-E232 IonicContact NH2-OE1 3.4Å; R226-E232 PolarHBondContact NH2-OE1 3.3Å; R226-E232 IonicContact NH2-OE2 3.22Å; G228-E232 WeakPolarHBondContact CA-OE2 3.4Å; T229-E232 PolarHBondContact N-OE2 3.11Å; T229-E232 PolarHBondContact O-N 2.86Å; T229-E232 PolarHBondContact OG1-N 2.89Å; E232-A236 PolarHBondContact O-N 3.24Å
233V98.6Very high97.3Very high0 Ų043.9 Ų43.90%025%0.25CC..Hα-helixtrans-70.4-42.7174.4-1730000111.4I18 V191 P193 I196 T229 V230 E231 Q235 A236 I237 V255I18-V233 HydrophobicContact CD1-CB 4.39Å; I18-V233 HydrophobicContact CD1-CG1 4.14Å; I18-V233 HydrophobicContact CD1-CG2 4.23Å; I18-V233 HydrophobicContact CG1-CB 4.2Å; I18-V233 HydrophobicContact CG1-CG1 4.28Å; I18-V233 HydrophobicContact CG1-CG2 4.35Å; I18-V233 HydrophobicContact CG2-CB 4.06Å; I18-V233 HydrophobicContact CG2-CG1 3.59Å; V191-V233 HydrophobicContact CB-CG1 4.5Å; V191-V233 HydrophobicContact CG2-CG1 3.91Å; P193-V233 HydrophobicContact CB-CG2 3.91Å; P193-V233 HydrophobicContact CG-CG1 3.7Å; P193-V233 HydrophobicContact CG-CG2 3.91Å; I196-V233 HydrophobicContact CD1-CG2 3.7Å; I196-V233 HydrophobicContact CG1-CG2 3.79Å; I196-V233 HydrophobicContact CG2-CG2 4.44Å; T229-V233 PolarHBondContact O-N 2.93Å; V230-V233 PolarHBondContact O-N 3.46Å; E231-V233 VanDerWaalsContact C-N 3.3Å; E231-V233 PolarHBondContact O-N 3.28Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 2.95Å; V233-A236 WeakPolarHBondContact O-CB 3.34Å; V233-A236 PolarHBondContact O-N 3.27Å; V233-A236 VanDerWaalsContact O-N 3.13Å; V233-I237 HydrophobicContact CG1-CD1 3.96Å; V233-I237 HydrophobicContact CG1-CG1 4.39Å; V233-I237 WeakPolarHBondContact O-CG1 3.24Å; V233-I237 PolarHBondContact O-N 3.43Å; V233-V255 HydrophobicContact CG2-CB 4.49Å; V233-V255 HydrophobicContact CG2-CG1 4.06Å
234A98.6Very high97.5Very high1 Ų143.9 Ų43.91%0.00825%0.249CC..Hα-helixtrans-58.6-39.2177.800000112A21 L25 V230 E231 I237 A238A21-A234 HydrophobicContact CB-CB 4.12Å; L25-A234 HydrophobicContact CB-CB 4.44Å; L25-A234 HydrophobicContact CD2-CB 3.93Å; L25-A234 WeakPolarHBondContact CD2-O 3.19Å; V230-A234 WeakPolarHBondContact O-CB 3.38Å; V230-A234 PolarHBondContact O-N 3.49Å; E231-A234 PolarHBondContact O-N 3.12Å; A234-I237 PolarHBondContact O-N 3.04Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.1Å
235Q98.4Very high97.5Very high100 Ų10038.1 Ų38.147%0.46722%0.219SC..Hα-helixtrans-62.3-43175.2-70.2-65.2-12.300112.1L25 E231 V233 I237 A238 F239L25-Q235 HydrophobicContact CD2-CG 4.23Å; E231-Q235 VanDerWaalsContact O-CG 3.28Å; E231-Q235 WeakPolarHBondContact O-CG 3.38Å; E231-Q235 PolarHBondContact O-N 3.41Å; V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 2.95Å; Q235-I237 VanDerWaalsContact C-N 3.35Å; Q235-A238 PolarHBondContact O-N 3.18Å; Q235-F239 PolarHBondContact O-N 3.09Å
236A98.6Very high97.6Very high14 Ų1440.1 Ų40.112%0.11623%0.226CC..Hα-helixtrans-63.5-40.8175.500000111.9V191 E232 V233 F239 L240 L253 V255V191-A236 HydrophobicContact CG1-CB 3.85Å; E232-A236 PolarHBondContact O-N 3.24Å; V233-A236 WeakPolarHBondContact O-CB 3.34Å; V233-A236 PolarHBondContact O-N 3.27Å; V233-A236 VanDerWaalsContact O-N 3.13Å; A236-F239 PolarHBondContact O-N 3.11Å; A236-L240 WeakPolarHBondContact O-CG 3.24Å; A236-L240 PolarHBondContact O-N 3.32Å; A236-L253 HydrophobicContact CB-CD2 3.97Å; A236-V255 HydrophobicContact CB-CG2 3.59Å
237I98.9Very high97.7Very high0 Ų044.9 Ų44.90%025%0.25CS..Hα-helixtrans-63.2-44.3175-65.6165.5000110.7I18 T22 F26 V97 V146 V148 V191 V233 A234 Q235 F239 L240 S241I18-I237 HydrophobicContact CG2-CD1 3.7Å; T22-I237 HydrophobicContact CG2-CB 4.19Å; T22-I237 HydrophobicContact CG2-CD1 4.31Å; T22-I237 HydrophobicContact CG2-CG2 3.62Å; T22-I237 WeakPolarHBondContact OG1-CD1 3.26Å; F26-I237 HydrophobicContact CE1-CG2 4.12Å; F26-I237 HydrophobicContact CZ-CG2 3.89Å; V97-I237 HydrophobicContact CG1-CD1 4.42Å; V97-I237 HydrophobicContact CG1-CG2 4Å; V97-I237 HydrophobicContact CG2-CG2 3.89Å; V146-I237 HydrophobicContact CB-CG2 4.26Å; V146-I237 HydrophobicContact CG1-CB 4.39Å; V146-I237 HydrophobicContact CG1-CG1 4.05Å; V146-I237 HydrophobicContact CG1-CG2 4.09Å; V148-I237 HydrophobicContact CG2-CD1 3.85Å; V191-I237 HydrophobicContact CB-CG1 4.48Å; V191-I237 HydrophobicContact CG1-CG1 3.9Å; V191-I237 HydrophobicContact CG2-CD1 4.1Å; V191-I237 HydrophobicContact CG2-CG1 3.74Å; V233-I237 HydrophobicContact CG1-CD1 3.96Å; V233-I237 HydrophobicContact CG1-CG1 4.39Å; V233-I237 WeakPolarHBondContact O-CG1 3.24Å; V233-I237 PolarHBondContact O-N 3.43Å; A234-I237 PolarHBondContact O-N 3.04Å; Q235-I237 VanDerWaalsContact C-N 3.35Å; I237-F239 PolarHBondContact O-N 3.13Å; I237-L240 PolarHBondContact O-N 3.1Å; I237-S241 VanDerWaalsContact O-CB 3.29Å; I237-S241 WeakPolarHBondContact O-CB 3.26Å; I237-S241 PolarHBondContact O-N 3.36Å; I237-S241 PolarHBondContact O-OG 3.23Å
238A98.7Very high97.9Very high0 Ų045.8 Ų45.80%026%0.256CS..Hα-helixtrans-62.5-42.6177.400000112.1I2 L25 F26 L29 A234 Q235 S241 S242I2-A238 HydrophobicContact CG2-CB 4.45Å; L25-A238 HydrophobicContact CD2-CB 3.86Å; L25-A238 HydrophobicContact CG-CB 4.45Å; F26-A238 HydrophobicContact CD1-CB 4.47Å; F26-A238 HydrophobicContact CE1-CB 3.97Å; L29-A238 HydrophobicContact CD1-CB 3.75Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.1Å; Q235-A238 PolarHBondContact O-N 3.18Å; A238-S241 PolarHBondContact O-N 2.64Å; A238-S242 WeakPolarHBondContact O-CB 3.05Å; A238-S242 PolarHBondContact O-N 3.17Å; A238-S242 PolarHBondContact O-OG 3.21Å
239F98.6Very high98.1Very high73 Ų7348.4 Ų48.432%0.3227%0.27SS..Hα-helixtrans-57-53.5173.4165.6-108.7000111.5I2 Q235 A236 I237 S241 S242 A244 S245I2-F239 HydrophobicContact CD1-CB 3.92Å; Q235-F239 PolarHBondContact O-N 3.09Å; A236-F239 PolarHBondContact O-N 3.11Å; I237-F239 PolarHBondContact O-N 3.13Å; F239-S241 PolarHBondContact O-N 3.11Å; F239-S242 PolarHBondContact O-N 3.41Å; F239-S242 PolarHBondContact O-OG 3.47Å; F239-A244 HydrophobicContact CD2-CB 3.88Å; F239-A244 HydrophobicContact CE2-CB 3.98Å; F239-A244 WeakPolarHBondContact CE2-O 3.41Å; F239-S245 WeakPolarHBondContact O-CB 3.32Å; F239-S245 PolarHBondContact O-OG 3.02Å
240L98.7Very high98.2Very high1 Ų146.8 Ų46.81%0.00526%0.264CS..Hα-helixtrans-64.6-27.5-179.7-69.5176.9000113S144 V146 R187 N189 V191 A236 I237 S245 T248 L253S144-L240 PolarHBondContact OG-O 3.5Å; S144-L240 VanDerWaalsContact OG-O 3.12Å; V146-L240 HydrophobicContact CG1-CB 4.48Å; V146-L240 HydrophobicContact CG1-CD1 4.26Å; V146-L240 HydrophobicContact CG2-CB 3.79Å; R187-L240 PolarHBondContact NH1-O 3.18Å; R187-L240 PolarHBondContact NH2-O 3.04Å; N189-L240 HydrophobicContact CB-CD1 3.94Å; N189-L240 HydrophobicContact CB-CD2 4.04Å; N189-L240 HydrophobicContact CB-CG 4.39Å; V191-L240 HydrophobicContact CG1-CD1 3.67Å; A236-L240 WeakPolarHBondContact O-CG 3.24Å; A236-L240 PolarHBondContact O-N 3.32Å; I237-L240 PolarHBondContact O-N 3.1Å; L240-S245 VanDerWaalsContact C-OG 3.23Å; L240-S245 VanDerWaalsContact CA-OG 3.22Å; L240-S245 WeakPolarHBondContact CA-OG 3.18Å; L240-S245 PolarHBondContact O-OG 2.98Å; L240-T248 HydrophobicContact CD2-CG2 4.24Å; L240-L253 HydrophobicContact CD1-CB 4.23Å; L240-L253 HydrophobicContact CD1-CD2 4.09Å; L240-L253 HydrophobicContact CG-CD2 4.28Å
241S98.6Very high98.2Very high8 Ų849 Ų496%0.05628%0.275CS..Hα-helixtrans-80.5-24.9177.5-57.20000113.2F26 V146 R187 I237 A238 F239F26-S241 WeakPolarHBondContact CZ-OG 3.39Å; V146-S241 WeakPolarHBondContact CG2-OG 3.48Å; R187-S241 PolarHBondContact NH2-O 3.24Å; I237-S241 VanDerWaalsContact O-CB 3.29Å; I237-S241 WeakPolarHBondContact O-CB 3.26Å; I237-S241 PolarHBondContact O-N 3.36Å; I237-S241 PolarHBondContact O-OG 3.23Å; A238-S241 PolarHBondContact O-N 2.64Å; F239-S241 PolarHBondContact O-N 3.11Å
242S98.1Very high98.2Very high4 Ų444.4 Ų44.43%0.02825%0.254CS..SBendtrans-88.6171.3-174.376.40000114.3R187 A238 F239 A244 S245R187-S242 PolarHBondContact NH2-O 3.47Å; A238-S242 WeakPolarHBondContact O-CB 3.05Å; A238-S242 PolarHBondContact O-N 3.17Å; A238-S242 PolarHBondContact O-OG 3.21Å; F239-S242 PolarHBondContact O-N 3.41Å; F239-S242 PolarHBondContact O-OG 3.47Å; S242-A244 PolarHBondContact O-N 2.9Å; S242-A244 WeakPolarHBondContact OG-CB 3.29Å; S242-A244 PolarHBondContact OG-N 2.96Å; S242-S245 PolarHBondContact O-N 3.47Å; S242-S245 PolarHBondContact O-OG 2.96Å; S242-S245 VanDerWaalsContact O-OG 3.06Å
243S96.4Very high98.3Very high100 Ų10043.5 Ų43.570%0.69925%0.251SS*.G310 helixtrans-64.4-13.3171.756.10000114S245 S246S243-S245 PolarHBondContact O-N 3.14Å; S243-S246 VanDerWaalsContact O-CB 3.23Å; S243-S246 WeakPolarHBondContact O-CB 3.45Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 VanDerWaalsContact O-N 3.14Å; S243-S246 PolarHBondContact O-OG 3.43Å
244A97.6Very high98.2Very high60 Ų6045.7 Ų45.750%0.49626%0.262SS..G310 helixtrans-65.4-18.1174.900000112.9I2 F239 S242I2-A244 HydrophobicContact CG1-CB 4.44Å; F239-A244 HydrophobicContact CD2-CB 3.88Å; F239-A244 HydrophobicContact CE2-CB 3.98Å; F239-A244 WeakPolarHBondContact CE2-O 3.41Å; S242-A244 PolarHBondContact O-N 2.9Å; S242-A244 WeakPolarHBondContact OG-CB 3.29Å; S242-A244 PolarHBondContact OG-N 2.96Å
245S97.3Very high98.2Very high1 Ų147 Ų471%0.00727%0.27CS..G310 helixtrans-113.530.8174.860.50000112R187 F239 L240 S242 S243 F247 T248R187-S245 WeakPolarHBondContact CD-O 3.38Å; R187-S245 PolarHBondContact NH1-O 3.43Å; R187-S245 PolarHBondContact NH1-OG 3.44Å; F239-S245 WeakPolarHBondContact O-CB 3.32Å; F239-S245 PolarHBondContact O-OG 3.02Å; L240-S245 VanDerWaalsContact C-OG 3.23Å; L240-S245 VanDerWaalsContact CA-OG 3.22Å; L240-S245 WeakPolarHBondContact CA-OG 3.18Å; L240-S245 PolarHBondContact O-OG 2.98Å; S242-S245 PolarHBondContact O-N 3.47Å; S242-S245 PolarHBondContact O-OG 2.96Å; S242-S245 VanDerWaalsContact O-OG 3.06Å; S243-S245 PolarHBondContact O-N 3.14Å; S245-F247 PolarHBondContact O-N 3.42Å; S245-F247 VanDerWaalsContact O-N 3.09Å; S245-T248 PolarHBondContact O-N 3.21Å
246S97Very high98.2Very high87 Ų8743 Ų4361%0.60825%0.252SS*.THydrogen-bonded Turntrans-58.1-23.5-175.356.80000114.6R187 S243R187-S246 WeakPolarHBondContact CD-O 3.38Å; S243-S246 VanDerWaalsContact O-CB 3.23Å; S243-S246 WeakPolarHBondContact O-CB 3.45Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 VanDerWaalsContact O-N 3.14Å; S243-S246 PolarHBondContact O-OG 3.43Å
247F97.7Very high98.1Very high207 Ų20743.5 Ų43.591%0.90826%0.258SS*.THydrogen-bonded Turntrans-109.216.7176.7-155.5-120.1000113.5S245S245-F247 PolarHBondContact O-N 3.42Å; S245-F247 VanDerWaalsContact O-N 3.09Å
248T98.6Very high98Very high42 Ų4244.2 Ų44.226%0.25827%0.266SS..  trans-110.8117.8178.6-48.60000109.9N189 L240 S245 N251N189-T248 PolarHBondContact ND2-O 3.01Å; L240-T248 HydrophobicContact CD2-CG2 4.24Å; S245-T248 PolarHBondContact O-N 3.21Å; T248-N251 HydrophobicContact CG2-CB 3.76Å
249T98.8Very high97.8Very high64 Ų6447 Ų4739%0.39328%0.276SS..  trans-147151171.3-162.40000109.7A178 V188 N189 N251A178-T249 WeakPolarHBondContact CB-OG1 3.46Å; V188-T249 PolarHBondContact N-OG1 2.89Å; N189-T249 WeakPolarHBondContact OD1-CA 3.35Å; N189-T249 PolarHBondContact OD1-N 3.45Å; T249-N251 PolarHBondContact O-N 2.77Å
250G98.7Very high97.6Very high21 Ų2144.4 Ų44.422%0.21627%0.267CS..SBendtrans72.25.5-176.300000114.9A178 V188 N189A178-G250 VanDerWaalsContact CB-CA 3.48Å; V188-G250 WeakPolarHBondContact O-CA 3.31Å; V188-G250 PolarHBondContact O-N 3.49Å; N189-G250 PolarHBondContact OD1-N 3.28Å
251N98.6Very high97.4Very high68 Ų6850.8 Ų50.836%0.36430%0.3SS..  trans-82.6144.1-174.8-172.552.7000112.3N189 S190 T248 T249N189-N251 WeakPolarHBondContact OD1-CB 3.31Å; N189-N251 PolarHBondContact OD1-N 2.79Å; S190-N251 PolarHBondContact N-O 3.26Å; T248-N251 HydrophobicContact CG2-CB 3.76Å; T249-N251 PolarHBondContact O-N 2.77Å
252L98.6Very high97Very high13 Ų1353.8 Ų53.87%0.06831%0.313CS..EExtended strand (participates in β ladder)trans-110.686.9173.3-53.5-177.8000108.8D171 T174 M254D171-L252 HydrophobicContact CB-CD1 3.78Å; D171-L252 HydrophobicContact CB-CD2 4.18Å; T174-L252 HydrophobicContact CG2-CD2 3.96Å; L252-M254 PolarHBondContact O-N 3.43Å
253L98.6Very high96.3Very high49 Ų4958 Ų5826%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-77.1110.1-174.4179.959.8000110.7S190 V191 N192 A236 L240 V255S190-L253 PolarHBondContact O-N 2.79Å; V191-L253 CarbonylContact C-O 3.56Å; V191-L253 WeakPolarHBondContact CA-O 3.42Å; N192-L253 PolarHBondContact N-O 3.2Å; A236-L253 HydrophobicContact CB-CD2 3.97Å; L240-L253 HydrophobicContact CD1-CB 4.23Å; L240-L253 HydrophobicContact CD1-CD2 4.09Å; L240-L253 HydrophobicContact CG-CD2 4.28Å; L253-V255 HydrophobicContact CG-CG2 4.35Å; L253-V255 PolarHBondContact O-N 2.9Å
254M98.1Very high95.3Very high46 Ų4659.4 Ų59.423%0.22735%0.349CS..EExtended strand (participates in β ladder)trans-72.1123176.3-49.8-57.7-98.200109.7V151 K154 N192 L252 D256 S260V151-M254 HydrophobicContact CB-CE 4.45Å; V151-M254 HydrophobicContact CG1-CE 4.02Å; K154-M254 HydrophobicContact CB-CE 4.35Å; K154-M254 HydrophobicContact CD-CE 3.72Å; K154-M254 HydrophobicContact CD-SD 3.94Å; N192-M254 HydrophobicContact CB-SD 3.55Å; N192-M254 VanDerWaalsContact CB-SD 3.55Å; L252-M254 PolarHBondContact O-N 3.43Å; M254-D256 HydrophobicContact CB-CB 4.36Å; M254-S260 VanDerWaalsContact CE-OG 3.25Å; M254-S260 WeakPolarHBondContact CE-OG 3.4Å
255V98.2Very high94Very high28 Ų2871.6 Ų71.617%0.1738%0.382CS..EExtended strand (participates in β ladder)trans-116.468.5173.6-170.60000107.1V191 N192 P193 A194 V233 A236 L253V191-V255 HydrophobicContact CB-CG2 4.28Å; V191-V255 HydrophobicContact CG1-CG2 4.4Å; N192-V255 PolarHBondContact O-N 2.9Å; N192-V255 VanDerWaalsContact O-N 3.11Å; P193-V255 WeakPolarHBondContact CA-O 3.17Å; A194-V255 PolarHBondContact N-O 3.31Å; V233-V255 HydrophobicContact CG2-CB 4.49Å; V233-V255 HydrophobicContact CG2-CG1 4.06Å; A236-V255 HydrophobicContact CB-CG2 3.59Å; L253-V255 HydrophobicContact CG-CG2 4.35Å; L253-V255 PolarHBondContact O-N 2.9Å
256D97.4Very high93.9Very high18 Ų1875.1 Ų75.110%0.09640%0.401CS..SBendtrans-134.17-155.478.7-21.4000114.8V151 A194 H222 M254 G258 R259 S260V151-D256 HydrophobicContact CG1-CB 3.51Å; A194-D256 HydrophobicContact CB-CB 3.68Å; H222-D256 PolarHBondContact CD2-O 3.33Å; M254-D256 HydrophobicContact CB-CB 4.36Å; D256-G258 PolarHBondContact O-N 2.85Å; D256-G258 PolarHBondContact OD1-N 2.82Å; D256-R259 HydrophobicContact CB-CB 4.15Å; D256-R259 WeakPolarHBondContact O-CB 3.4Å; D256-R259 PolarHBondContact O-N 3.44Å; D256-R259 PolarHBondContact OD2-N 3Å; D256-S260 WeakPolarHBondContact OD2-CB 3.44Å; D256-S260 PolarHBondContact OD2-N 2.95Å; D256-S260 PolarHBondContact OD2-OG 2.87Å
257G96.8Very high93.7Very high24 Ų2474.5 Ų74.525%0.24739%0.39CS..THydrogen-bonded Turntrans51.929.9-176.700000113.8A223 L224 R259A223-G257 WeakPolarHBondContact CA-O 3.23Å; A223-G257 WeakPolarHBondContact CB-O 3.48Å; A223-G257 PolarHBondContact N-O 3.33Å; L224-G257 PolarHBondContact N-O 3.16Å; G257-R259 VanDerWaalsContact C-N 3.33Å
258G96.1Very high93.5Very high15 Ų1567.1 Ų67.116%0.15536%0.361CS..THydrogen-bonded Turntrans78.87.1-176.700000115.1D256 S260 I261 M262D256-G258 PolarHBondContact O-N 2.85Å; D256-G258 PolarHBondContact OD1-N 2.82Å; G258-S260 VanDerWaalsContact C-N 3.29Å; G258-S260 PolarHBondContact O-N 2.96Å; G258-I261 WeakPolarHBondContact O-CG1 3.5Å; G258-I261 PolarHBondContact O-N 2.71Å; G258-M262 WeakPolarHBondContact O-CG 3.33Å; G258-M262 PolarHBondContact O-N 3.14Å
259R95.1Very high93.2Very high59 Ų5968.6 Ų68.622%0.22337%0.367CS..G310 helixtrans-52.4-43-178.2177.260.6174.6156.7-6.3113.3A194 T221 D256 G257 I261 M262A194-R259 HydrophobicContact CB-CB 3.73Å; A194-R259 HydrophobicContact CB-CG 3.8Å; T221-R259 VanDerWaalsContact CA-NH1 3.31Å; T221-R259 VanDerWaalsContact CB-CZ 3.43Å; T221-R259 VanDerWaalsContact CG2-CZ 3.46Å; T221-R259 WeakPolarHBondContact O-CD 3.45Å; T221-R259 PolarHBondContact O-NH1 3.47Å; T221-R259 WeakPolarHBondContact OG1-CD 3.49Å; T221-R259 PolarHBondContact OG1-NE 2.89Å; T221-R259 PolarHBondContact OG1-NH1 2.88Å; T221-R259 PolarHBondContact OG1-NH2 3.46Å; D256-R259 HydrophobicContact CB-CB 4.15Å; D256-R259 WeakPolarHBondContact O-CB 3.4Å; D256-R259 PolarHBondContact O-N 3.44Å; D256-R259 PolarHBondContact OD2-N 3Å; G257-R259 VanDerWaalsContact C-N 3.33Å; R259-I261 PolarHBondContact O-N 3.19Å; R259-M262 PolarHBondContact O-N 3.17Å
260S94.2Very high92.8Very high18 Ų1868.9 Ų68.913%0.12637%0.365CS..G310 helixtrans-71.1-17.4-174.160.70000114.6M254 D256 G258M254-S260 VanDerWaalsContact CE-OG 3.25Å; M254-S260 WeakPolarHBondContact CE-OG 3.4Å; D256-S260 WeakPolarHBondContact OD2-CB 3.44Å; D256-S260 PolarHBondContact OD2-N 2.95Å; D256-S260 PolarHBondContact OD2-OG 2.87Å; G258-S260 VanDerWaalsContact C-N 3.29Å; G258-S260 PolarHBondContact O-N 2.96Å
261I94.1Very high92.4Very high135 Ų13572.1 Ų72.169%0.69238%0.375SS*.G310 helixtrans-107.32.4-179.862.9167.5000113G258 R259 C263G258-I261 WeakPolarHBondContact O-CG1 3.5Å; G258-I261 PolarHBondContact O-N 2.71Å; R259-I261 PolarHBondContact O-N 3.19Å; I261-C263 PolarHBondContact O-N 3.34Å
262M91Very high92Very high70 Ų7072.4 Ų72.435%0.34538%0.376SS..PPolyproline II helixtrans-70.6127.6173.1-71-68-77.100110.2A223 G258 R259A223-M262 HydrophobicContact CB-CG 4.34Å; A223-M262 HydrophobicContact CB-SD 3.72Å; G258-M262 WeakPolarHBondContact O-CG 3.33Å; G258-M262 PolarHBondContact O-N 3.14Å; R259-M262 PolarHBondContact O-N 3.17Å
263C83.6Confident91.5Very high94 Ų9476.9 Ų76.964%0.63540%0.4SS*.PPolyproline II helixtrans-103.2142170.9-67.50000109.6I261 R265I261-C263 PolarHBondContact O-N 3.34Å; C263-R265 PolarHBondContact O-N 3.16Å
264P75.8Confident90.9Very high128 Ų12879.3 Ų79.383%0.83141%0.412SS*.PPolyproline II helixtrans-54.9130.6163.2-16.429000108.6
265R70.4Confident90.2Very high316 Ų31682.3 Ų82.3100%1.19243%0.428SS*.  trans-106.80168-68-161.9-167.9-142.96.2109.3C263C263-R265 PolarHBondContact O-N 3.16Å

Retrieved 265 of 265 residues in 98.1 ms (Link to these results)

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