G4LXZ3_SCHMA Loading...

Ras-related protein Rab-13

AlphaFold DB , UniProt , Accession G4LXZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 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
1M40.2Very low59.6Low245 Ų245122.6 Ų122.6100%1.20771%0.71SS**  0107.20-95.5168.3132.700108.5K3M1-K3 PolarHBondContact O-N 3.29Å
2A42.5Very low62.6Low103 Ų103121 Ų12185%0.85170%0.696SS**PPolyproline II helixtrans-69.3122.7168.100000107.6A4A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.09Å
3K43Very low65.2Low186 Ų186113.9 Ų113.981%0.80965%0.653SS**PPolyproline II helixtrans-59.2116.4169.5-167.2176-175.6178.60105.7M1M1-K3 PolarHBondContact O-N 3.29Å
4A49.2Very low67.4Low76 Ų76110.2 Ų110.263%0.62863%0.628SS**PPolyproline II helixtrans-48.4133173.200000107.1A2 N6A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A4-N6 PolarHBondContact O-N 3Å
5P50.8Low69.5Low117 Ų117102.9 Ų102.976%0.7659%0.586SS**PPolyproline II helixtrans-52119.9174.222.2-30.2000105G7P5-G7 VanDerWaalsContact C-N 3.28Å; P5-G7 PolarHBondContact O-N 3.13Å
6N56.3Low71.1Confident135 Ų13598.9 Ų98.972%0.72256%0.56SS**  trans-45.1107.3170.1-106.69.8000103.7A4 T8A4-N6 PolarHBondContact O-N 3Å; N6-T8 WeakPolarHBondContact O-CA 3.38Å; N6-T8 PolarHBondContact O-N 3.05Å
7G55.3Low72.7Confident67 Ų6793.1 Ų93.169%0.69153%0.527SS*.  trans-49.4109.8-172.700000105.6P5 K9P5-G7 VanDerWaalsContact C-N 3.28Å; P5-G7 PolarHBondContact O-N 3.13Å; G7-K9 PolarHBondContact O-N 2.95Å
8T62.6Low73.9Confident131 Ų13187.9 Ų87.980%0.80450%0.498SS*.  trans-65107.3-162.941.70000105.1N6 D10N6-T8 WeakPolarHBondContact O-CA 3.38Å; N6-T8 PolarHBondContact O-N 3.05Å; T8-D10 PolarHBondContact O-N 3.32Å
9K74.3Confident75Confident152 Ų15283.3 Ų83.366%0.66147%0.472SS*.  trans-54.8131.6-179.5-68-178.3178.91770106.8G7 Y11G7-K9 PolarHBondContact O-N 2.95Å; K9-Y11 HydrophobicContact CB-CD1 4.42Å; K9-Y11 HydrophobicContact CB-CE1 4.38Å; K9-Y11 WeakPolarHBondContact CB-O 3.34Å; K9-Y11 HydrophobicContact CD-CE2 4.47Å; K9-Y11 PolarHBondContact O-N 3.15Å; K9-Y11 VanDerWaalsContact O-N 3.16Å
10D88.2Confident75.9Confident95 Ų9579.1 Ų79.151%0.50845%0.448SS..SBendtrans-72.42.2175.961.9-43.9000112.5T8 K62 K64T8-D10 PolarHBondContact O-N 3.32Å; D10-K62 VanDerWaalsContact O-CD 3.32Å; D10-K62 WeakPolarHBondContact O-CD 3.24Å; D10-K64 IonicContact OD1-NZ 2.88Å; D10-K64 PolarHBondContact OD1-NZ 2.8Å; D10-K64 IonicContact OD2-NZ 3.72Å; D10-K64 PolarHBondContact OD2-NZ 3.39Å
11Y93.6Very high76.8Confident42 Ų4275.3 Ų75.317%0.16543%0.427CS..  trans-144.3152.4-179.666.3-84.2000111.2K9 E13 M14 K64K9-Y11 HydrophobicContact CB-CD1 4.42Å; K9-Y11 HydrophobicContact CB-CE1 4.38Å; K9-Y11 WeakPolarHBondContact CB-O 3.34Å; K9-Y11 HydrophobicContact CD-CE2 4.47Å; K9-Y11 PolarHBondContact O-N 3.15Å; K9-Y11 VanDerWaalsContact O-N 3.16Å; Y11-E13 VanDerWaalsContact CD2-O 3.22Å; Y11-E13 WeakPolarHBondContact CD2-O 3.32Å; Y11-M14 HydrophobicContact CD2-CB 4.07Å; Y11-M14 HydrophobicContact CE1-CE 4.05Å; Y11-M14 HydrophobicContact CE2-CB 3.59Å; Y11-M14 HydrophobicContact CE2-CE 3.99Å; Y11-M14 HydrophobicContact CE2-SD 4.49Å; Y11-M14 VanDerWaalsContact CZ-CE 3.49Å; Y11-M14 WeakPolarHBondContact OH-CE 3.32Å; Y11-K64 HydrophobicContact CD1-CB 4.16Å; Y11-K64 HydrophobicContact CD1-CD 3.69Å; Y11-K64 HydrophobicContact CD2-CB 4.01Å; Y11-K64 HydrophobicContact CE1-CD 3.82Å; Y11-K64 HydrophobicContact CG-CB 3.73Å; Y11-K64 HydrophobicContact CG-CD 4.16Å
12D95.1Very high79.2Confident103 Ų10364.8 Ų64.855%0.55138%0.375SS*.SBendtrans-87-43.6176.7-56.2-66.1000111K61 K62D12-K61 HydrophobicContact CB-CB 4.32Å; D12-K61 WeakPolarHBondContact OD2-CA 3.39Å; D12-K62 PolarHBondContact N-O 3.03Å; D12-K62 PolarHBondContact OD2-N 3.31Å
13E96Very high81.5Confident29 Ų2961.7 Ų61.714%0.13635%0.348CS..EExtended strand (participates in β ladder)trans-133.5154.3-176.3-62.3-171.6-133.500111.5Y11 Y15 K61 K62 I63 K64Y11-E13 VanDerWaalsContact CD2-O 3.22Å; Y11-E13 WeakPolarHBondContact CD2-O 3.32Å; E13-Y15 HydrophobicContact CB-CE1 3.8Å; E13-Y15 VanDerWaalsContact CD-OH 3.31Å; E13-Y15 VanDerWaalsContact OE2-CE1 3.29Å; E13-Y15 WeakPolarHBondContact OE2-CE1 3.48Å; E13-Y15 PolarHBondContact OE2-OH 3.13Å; E13-K61 WeakPolarHBondContact OE1-CD 3.5Å; E13-K61 IonicContact OE1-NZ 3.18Å; E13-K61 PolarHBondContact OE1-NZ 3.3Å; E13-K62 PolarHBondContact N-O 2.95Å; E13-I63 CarbonylContact O-C 3.59Å; E13-I63 WeakPolarHBondContact O-CA 3.46Å; E13-K64 PolarHBondContact O-N 3.45Å
14M96.7Very high83.7Confident62 Ų6255.4 Ų55.431%0.30533%0.327SS..EExtended strand (participates in β ladder)trans-133.5124.9-179.1171.6-175.8-88.700109.6Y11 K64 Q66Y11-M14 HydrophobicContact CD2-CB 4.07Å; Y11-M14 HydrophobicContact CE1-CE 4.05Å; Y11-M14 HydrophobicContact CE2-CB 3.59Å; Y11-M14 HydrophobicContact CE2-CE 3.99Å; Y11-M14 HydrophobicContact CE2-SD 4.49Å; Y11-M14 VanDerWaalsContact CZ-CE 3.49Å; Y11-M14 WeakPolarHBondContact OH-CE 3.32Å; M14-K64 CarbonylContact C-O 3.56Å; M14-K64 VanDerWaalsContact CA-O 3.24Å; M14-K64 WeakPolarHBondContact CA-O 3.15Å; M14-K64 HydrophobicContact CB-CB 4.41Å; M14-K64 HydrophobicContact CE-CD 3.64Å; M14-K64 HydrophobicContact CE-CG 4.19Å; M14-Q66 HydrophobicContact CG-CG 4.36Å; M14-Q66 PolarHBondContact SD-NE2 3.38Å
15Y98Very high85.9Confident0 Ų051.9 Ų51.90%030%0.298CS..EExtended strand (participates in β ladder)trans-119.8129.1-176.8-57.8-20.7000111.3E13 I63 K64 L65 Q66 M88 A172 I175 K176E13-Y15 HydrophobicContact CB-CE1 3.8Å; E13-Y15 VanDerWaalsContact CD-OH 3.31Å; E13-Y15 VanDerWaalsContact OE2-CE1 3.29Å; E13-Y15 WeakPolarHBondContact OE2-CE1 3.48Å; E13-Y15 PolarHBondContact OE2-OH 3.13Å; Y15-I63 HydrophobicContact CD1-CG2 4.42Å; Y15-I63 HydrophobicContact CD2-CG2 3.35Å; Y15-I63 HydrophobicContact CE1-CG2 4.42Å; Y15-I63 HydrophobicContact CE2-CD1 3.72Å; Y15-I63 HydrophobicContact CE2-CG2 3.41Å; Y15-I63 VanDerWaalsContact CE2-CG2 3.41Å; Y15-I63 HydrophobicContact CG-CG2 3.88Å; Y15-K64 PolarHBondContact N-O 2.82Å; Y15-L65 HydrophobicContact CD2-CD2 4.06Å; Y15-L65 HydrophobicContact CG-CD2 4.42Å; Y15-L65 WeakPolarHBondContact O-CA 3.41Å; Y15-Q66 PolarHBondContact O-N 2.9Å; Y15-M88 HydrophobicContact CD1-CE 3.66Å; Y15-M88 HydrophobicContact CD1-SD 3.99Å; Y15-M88 HydrophobicContact CE1-CE 4.17Å; Y15-M88 HydrophobicContact CG-CE 4.48Å; Y15-A172 HydrophobicContact CD2-CB 4.29Å; Y15-A172 WeakPolarHBondContact CE2-O 3.41Å; Y15-I175 HydrophobicContact CD1-CG2 3.81Å; Y15-I175 HydrophobicContact CD2-CB 4Å; Y15-I175 HydrophobicContact CD2-CD1 4.15Å; Y15-I175 HydrophobicContact CD2-CG2 3.8Å; Y15-I175 HydrophobicContact CE1-CG2 3.94Å; Y15-I175 HydrophobicContact CE2-CB 4.01Å; Y15-I175 HydrophobicContact CE2-CG2 3.86Å; Y15-I175 HydrophobicContact CG-CB 4.46Å; Y15-I175 HydrophobicContact CG-CD1 4.36Å; Y15-I175 HydrophobicContact CG-CG2 3.8Å; Y15-K176 HydrophobicContact CE2-CB 4.3Å; Y15-K176 WeakPolarHBondContact OH-CA 3.42Å; Y15-K176 VanDerWaalsContact OH-CB 3.3Å; Y15-K176 WeakPolarHBondContact OH-CB 3.29Å
16K96.1Very high88Confident39 Ų3947 Ų4717%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-87.6120.5172.4-179.6177.2168.4-174.30109.8Q66 Y83 R85 M88 G89K16-Q66 WeakPolarHBondContact CA-O 3.29Å; K16-Y83 WeakPolarHBondContact CE-O 3.11Å; K16-Y83 PolarHBondContact NZ-O 2.85Å; K16-R85 PolarHBondContact NZ-O 2.83Å; K16-M88 PolarHBondContact O-N 3.28Å; K16-G89 PolarHBondContact O-N 3.39Å
17L97.3Very high89.8Confident0 Ų040.9 Ų40.90%024%0.236CC..EExtended strand (participates in β ladder)trans-114144.8177.2-54.7-172.2000110.8L65 Q66 I67 W68 G89 F168 L171 I175L17-L65 HydrophobicContact CD1-CB 4.36Å; L17-L65 HydrophobicContact CD1-CD1 3.99Å; L17-L65 HydrophobicContact CD1-CD2 4.11Å; L17-L65 HydrophobicContact CD1-CG 4.39Å; L17-L65 HydrophobicContact CG-CD2 4.49Å; L17-Q66 PolarHBondContact N-O 2.8Å; L17-I67 HydrophobicContact CB-CG1 4.21Å; L17-I67 HydrophobicContact CB-CG2 4.5Å; L17-I67 HydrophobicContact CD1-CG1 4.19Å; L17-W68 PolarHBondContact O-N 3.46Å; L17-G89 VanDerWaalsContact CA-O 3.3Å; L17-G89 WeakPolarHBondContact CA-O 3.3Å; L17-F168 HydrophobicContact CD1-CD1 3.97Å; L17-F168 HydrophobicContact CD1-CE1 4.48Å; L17-L171 HydrophobicContact CD2-CD2 4.06Å; L17-L171 HydrophobicContact CD2-CG 4.44Å; L17-I175 HydrophobicContact CD2-CD1 3.43Å; L17-I175 VanDerWaalsContact CD2-CD1 3.43Å
18L94.8Very high91.6Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-123133.4174.9-166.567.9000110V20 W68 T70 Y84 G89 I90 M91L18-V20 HydrophobicContact CD2-CG1 3.65Å; L18-V20 HydrophobicContact CG-CG1 3.75Å; L18-W68 HydrophobicContact CD1-CB 3.61Å; L18-T70 HydrophobicContact CD1-CG2 3.35Å; L18-T70 HydrophobicContact CG-CG2 3.99Å; L18-Y84 HydrophobicContact CD2-CD1 3.77Å; L18-Y84 HydrophobicContact CD2-CE1 3.8Å; L18-G89 PolarHBondContact N-O 3.24Å; L18-I90 HydrophobicContact CB-CG1 4.14Å; L18-I90 WeakPolarHBondContact O-CA 3.42Å; L18-M91 PolarHBondContact O-N 2.91Å
19L95Very high93.2Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-98.3125.2168.5-55.1-177.7000108.9K27 L31 I67 W68 D69 T70 M91 F168L19-K27 HydrophobicContact CB-CB 4.2Å; L19-K27 HydrophobicContact CB-CD 4.3Å; L19-K27 HydrophobicContact CB-CG 4.49Å; L19-K27 HydrophobicContact CD1-CB 4.31Å; L19-L31 HydrophobicContact CD1-CB 4.04Å; L19-I67 HydrophobicContact CD1-CG2 4.22Å; L19-I67 HydrophobicContact CD2-CG2 4.46Å; L19-I67 HydrophobicContact CG-CG2 4.04Å; L19-W68 PolarHBondContact N-O 3.19Å; L19-D69 HydrophobicContact CD1-CB 4.43Å; L19-T70 PolarHBondContact O-OG1 2.78Å; L19-M91 HydrophobicContact CD2-CB 3.69Å; L19-M91 HydrophobicContact CD2-CG 4.03Å; L19-M91 HydrophobicContact CD2-SD 3.55Å; L19-M91 VanDerWaalsContact CD2-SD 3.55Å; L19-F168 HydrophobicContact CD2-CE1 4.24Å; L19-F168 HydrophobicContact CD2-CZ 4.19Å
20V93.4Very high94.3Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-131.8160.1178.1-51.50000111.1L18 I79 I90 M91 L92 V93 W108 I112L18-V20 HydrophobicContact CD2-CG1 3.65Å; L18-V20 HydrophobicContact CG-CG1 3.75Å; V20-I79 HydrophobicContact CB-CD1 3.84Å; V20-I79 HydrophobicContact CG1-CD1 3.32Å; V20-I90 HydrophobicContact CG1-CG2 4.23Å; V20-I90 HydrophobicContact CG2-CG2 3.87Å; V20-M91 PolarHBondContact N-O 2.9Å; V20-L92 HydrophobicContact CG2-CB 4.34Å; V20-L92 HydrophobicContact CG2-CG 3.93Å; V20-L92 WeakPolarHBondContact O-CA 3.26Å; V20-V93 PolarHBondContact O-N 3.38Å; V20-W108 HydrophobicContact CB-CE3 4.06Å; V20-W108 HydrophobicContact CB-CZ3 4.4Å; V20-W108 HydrophobicContact CG2-CE3 4.39Å; V20-I112 HydrophobicContact CG2-CD1 3.99Å
21G93.9Very high94.6Very high0 Ų023.7 Ų23.70%013%0.132CC..  trans139.9172.1-174.400000111.2K27 V93 W108G21-K27 PolarHBondContact O-NZ 3.18Å; G21-V93 WeakPolarHBondContact CA-O 3.19Å; G21-W108 VanDerWaalsContact C-CE2 3.47Å; G21-W108 VanDerWaalsContact C-CZ2 3.49Å; G21-W108 WeakPolarHBondContact O-CZ2 3.31Å
22D91.8Very high94.6Very high23 Ų2323.7 Ų23.712%0.12313%0.134CC..SBendtrans-60.9165.1-176.3-75.66.7000113.3V25 K27 S101 N104 W108D22-V25 HydrophobicContact CB-CG1 3.77Å; D22-V25 VanDerWaalsContact O-CG2 3.28Å; D22-V25 WeakPolarHBondContact O-CG2 3.33Å; D22-K27 PolarHBondContact O-NZ 2.74Å; D22-S101 WeakPolarHBondContact OD2-CA 3.25Å; D22-N104 PolarHBondContact OD2-ND2 3.47Å; D22-W108 PolarHBondContact OD1-NE1 3.45Å
23S89.5Confident94.7Very high39 Ų3921 Ų2127%0.27312%0.116SC..THydrogen-bonded Turntrans-57.7145.8169.9-62.30000109.5V25 E74S23-V25 PolarHBondContact O-N 3.07Å; S23-V25 VanDerWaalsContact O-N 3.08Å; S23-E74 WeakPolarHBondContact CA-OE1 3.35Å; S23-E74 VanDerWaalsContact CB-OE1 3.29Å; S23-E74 WeakPolarHBondContact CB-OE1 3.46Å; S23-E74 VanDerWaalsContact OG-CG 3.23Å; S23-E74 WeakPolarHBondContact OG-CG 3.38Å; S23-E74 PolarHBondContact OG-OE1 3.09Å
24S90.8Very high94.8Very high54 Ų5419.7 Ų19.738%0.37811%0.11SC..THydrogen-bonded Turntrans65.91.117481.10000117.9G26 K128S24-G26 PolarHBondContact O-N 2.91Å; S24-G26 VanDerWaalsContact O-N 3.13Å; S24-K128 WeakPolarHBondContact O-CE 3.49Å; S24-K128 PolarHBondContact O-NZ 2.93Å
25V94.5Very high94.7Very high1 Ų117.9 Ų17.91%0.00610%0.104CC..SBendtrans-65.1-16.9174.8-57.20000113.3D22 S23 K27 V93 D95 N127D22-V25 HydrophobicContact CB-CG1 3.77Å; D22-V25 VanDerWaalsContact O-CG2 3.28Å; D22-V25 WeakPolarHBondContact O-CG2 3.33Å; S23-V25 PolarHBondContact O-N 3.07Å; S23-V25 VanDerWaalsContact O-N 3.08Å; V25-K27 HydrophobicContact CG2-CD 4.33Å; V25-K27 HydrophobicContact CG2-CG 3.66Å; V25-V93 HydrophobicContact CB-CG1 4.27Å; V25-V93 HydrophobicContact CG2-CB 3.87Å; V25-V93 HydrophobicContact CG2-CG1 3.79Å; V25-D95 HydrophobicContact CB-CB 4.22Å; V25-D95 HydrophobicContact CG1-CB 4.26Å; V25-N127 PolarHBondContact O-ND2 3.4Å
26G95Very high94.4Very high14 Ų1421.8 Ų21.814%0.14413%0.125CC..SBendtrans105.620.1171.900000115.7S24 T28 N29 L30S24-G26 PolarHBondContact O-N 2.91Å; S24-G26 VanDerWaalsContact O-N 3.13Å; G26-T28 PolarHBondContact O-N 2.72Å; G26-N29 PolarHBondContact O-N 3.25Å; G26-N29 VanDerWaalsContact O-N 3.15Å; G26-L30 PolarHBondContact O-N 3.3Å
27K94.5Very high94.3Very high8 Ų825.8 Ų25.84%0.03515%0.148CC..Hα-helixtrans-50.2-51.6176.1-54.3-174.4-62.4-82.20112.7L19 G21 D22 V25 N29 L30 L31 D69 T70 V93L19-K27 HydrophobicContact CB-CB 4.2Å; L19-K27 HydrophobicContact CB-CD 4.3Å; L19-K27 HydrophobicContact CB-CG 4.49Å; L19-K27 HydrophobicContact CD1-CB 4.31Å; G21-K27 PolarHBondContact O-NZ 3.18Å; D22-K27 PolarHBondContact O-NZ 2.74Å; V25-K27 HydrophobicContact CG2-CD 4.33Å; V25-K27 HydrophobicContact CG2-CG 3.66Å; K27-N29 PolarHBondContact O-N 2.73Å; K27-L30 WeakPolarHBondContact O-CB 3.2Å; K27-L30 PolarHBondContact O-N 3.05Å; K27-L30 VanDerWaalsContact O-N 3.15Å; K27-L31 PolarHBondContact O-N 2.93Å; K27-D69 WeakPolarHBondContact CB-OD1 3.29Å; K27-T70 WeakPolarHBondContact CE-O 3.32Å; K27-V93 HydrophobicContact CG-CB 4.12Å; K27-V93 HydrophobicContact CG-CG2 4.13Å
28T93.1Very high94.2Very high46 Ų4628 Ų2828%0.28216%0.163SC..Hα-helixtrans-59.7-42.8177.5-43.90000112.6G26 L31 L32 T46 D69G26-T28 PolarHBondContact O-N 2.72Å; T28-L31 PolarHBondContact O-N 2.93Å; T28-L32 VanDerWaalsContact O-CB 3.29Å; T28-L32 WeakPolarHBondContact O-CB 3.29Å; T28-L32 PolarHBondContact O-N 3.18Å; T28-T46 PolarHBondContact OG1-OG1 3.48Å; T28-D69 WeakPolarHBondContact CA-OD2 3.36Å; T28-D69 WeakPolarHBondContact CB-OD2 3.48Å; T28-D69 PolarHBondContact N-OD2 2.92Å; T28-D69 PolarHBondContact OG1-OD2 3.05Å
29N95.4Very high94.2Very high34 Ų3431.1 Ų31.118%0.18218%0.177CC..Hα-helixtrans-71.4-31.3177.9-92.8-41.9000112.3G26 K27 R33 F39 S40 A158G26-N29 PolarHBondContact O-N 3.25Å; G26-N29 VanDerWaalsContact O-N 3.15Å; K27-N29 PolarHBondContact O-N 2.73Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 PolarHBondContact O-N 3.06Å; N29-F39 HydrophobicContact CB-CD2 3.95Å; N29-F39 HydrophobicContact CB-CE2 3.93Å; N29-S40 PolarHBondContact ND2-O 3.23Å; N29-S40 PolarHBondContact OD1-N 3.16Å; N29-S40 PolarHBondContact OD1-O 2.82Å; N29-A158 HydrophobicContact CB-CB 3.79Å
30L96.9Very high93.9Very high1 Ų133.3 Ų33.31%0.00519%0.192CC..Hα-helixtrans-63.8-44.9170-76.8169.3000110.6G26 K27 F34 V93 L125 N127 A158 V164G26-L30 PolarHBondContact O-N 3.3Å; K27-L30 WeakPolarHBondContact O-CB 3.2Å; K27-L30 PolarHBondContact O-N 3.05Å; K27-L30 VanDerWaalsContact O-N 3.15Å; L30-F34 VanDerWaalsContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CB 3.34Å; L30-F34 PolarHBondContact O-N 3.22Å; L30-V93 HydrophobicContact CD1-CG1 3.81Å; L30-V93 HydrophobicContact CD1-CG2 4.14Å; L30-L125 HydrophobicContact CD1-CD1 4.12Å; L30-N127 HydrophobicContact CD1-CB 4.26Å; L30-A158 HydrophobicContact CD2-CB 4.02Å; L30-A158 HydrophobicContact CG-CB 4.18Å; L30-V164 HydrophobicContact CD2-CG1 4.23Å; L30-V164 HydrophobicContact CD2-CG2 3.82Å
31L95.6Very high93.5Very high2 Ų241.8 Ų41.81%0.0123%0.229CC..Hα-helixtrans-62.2-48.5176.2-177.452.6000111.4L19 K27 T28 R33 F34 S35 K52 I67 D69L19-L31 HydrophobicContact CD1-CB 4.04Å; K27-L31 PolarHBondContact O-N 2.93Å; T28-L31 PolarHBondContact O-N 2.93Å; L31-R33 PolarHBondContact O-N 3.46Å; L31-F34 CarbonylContact O-C 3.58Å; L31-F34 PolarHBondContact O-N 3.29Å; L31-F34 VanDerWaalsContact O-N 3.16Å; L31-S35 PolarHBondContact O-N 2.88Å; L31-S35 PolarHBondContact O-OG 2.84Å; L31-K52 HydrophobicContact CD1-CB 3.94Å; L31-K52 HydrophobicContact CD1-CG 4.31Å; L31-K52 HydrophobicContact CD2-CB 4.04Å; L31-K52 HydrophobicContact CD2-CG 3.8Å; L31-K52 HydrophobicContact CG-CB 4.18Å; L31-K52 HydrophobicContact CG-CG 4Å; L31-I67 HydrophobicContact CD1-CB 3.82Å; L31-I67 HydrophobicContact CD1-CD1 3.83Å; L31-I67 HydrophobicContact CD1-CG1 4.44Å; L31-I67 HydrophobicContact CD1-CG2 3.66Å; L31-I67 HydrophobicContact CD2-CG2 4.39Å; L31-D69 HydrophobicContact CD2-CB 3.71Å
32L94.3Very high92.9Very high42 Ų4246.5 Ų46.522%0.2226%0.258CS..Hα-helixtrans-61-43.4178.9-175.367.3000112.3T28 F34 D36 N37 S38T28-L32 VanDerWaalsContact O-CB 3.29Å; T28-L32 WeakPolarHBondContact O-CB 3.29Å; T28-L32 PolarHBondContact O-N 3.18Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 3.43Å; L32-D36 HydrophobicContact CD1-CB 4.09Å; L32-D36 WeakPolarHBondContact O-CA 3.46Å; L32-D36 PolarHBondContact O-N 3.05Å; L32-N37 PolarHBondContact O-N 2.93Å; L32-S38 CarbonylContact C-O 3.32Å; L32-S38 VanDerWaalsContact CD1-OG 3.25Å; L32-S38 WeakPolarHBondContact CD1-OG 3.34Å; L32-S38 WeakPolarHBondContact CG-OG 3.3Å; L32-S38 PolarHBondContact O-N 2.88Å
33R96.9Very high92Very high47 Ų4752 Ų5218%0.17728%0.281CS..Hα-helixtrans-64.1-39.4175.3174.657.769.6-166.12.1111.2N29 L31 N37 S38 A158 K159 V164N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 PolarHBondContact O-N 3.06Å; L31-R33 PolarHBondContact O-N 3.46Å; R33-N37 VanDerWaalsContact NH1-C 3.25Å; R33-N37 PolarHBondContact NH1-O 2.96Å; R33-N37 PolarHBondContact NH1-OD1 3.26Å; R33-N37 VanDerWaalsContact O-CA 3.26Å; R33-N37 WeakPolarHBondContact O-CA 3.45Å; R33-N37 PolarHBondContact O-N 3.47Å; R33-S38 WeakPolarHBondContact CA-O 3.34Å; R33-S38 PolarHBondContact N-O 3.03Å; R33-A158 PolarHBondContact NE-O 3.42Å; R33-K159 PolarHBondContact NH2-O 2.79Å; R33-V164 HydrophobicContact CB-CG1 4.26Å; R33-V164 HydrophobicContact CG-CB 4.07Å; R33-V164 HydrophobicContact CG-CG1 3.97Å; R33-V164 HydrophobicContact CG-CG2 3.88Å
34F97.5Very high91.2Very high1 Ų155.9 Ų55.90%0.00430%0.298CS..Hα-helixtrans-68.5-55.5177-178.3-111.4000111.3L30 L31 L32 R54 I56 L65 I67 V164 F168L30-F34 VanDerWaalsContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CB 3.34Å; L30-F34 PolarHBondContact O-N 3.22Å; L31-F34 CarbonylContact O-C 3.58Å; L31-F34 PolarHBondContact O-N 3.29Å; L31-F34 VanDerWaalsContact O-N 3.16Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 3.43Å; F34-R54 HydrophobicContact CE1-CB 3.89Å; F34-R54 HydrophobicContact CE1-CG 4.1Å; F34-R54 HydrophobicContact CZ-CG 4.42Å; F34-R54 PolarHBondContact O-NE 3.29Å; F34-R54 PolarHBondContact O-NH1 2.98Å; F34-I56 HydrophobicContact CZ-CG2 3.92Å; F34-L65 HydrophobicContact CE1-CD1 4.07Å; F34-L65 HydrophobicContact CZ-CD1 3.87Å; F34-I67 HydrophobicContact CD1-CD1 3.54Å; F34-I67 HydrophobicContact CE1-CD1 3.45Å; F34-I67 VanDerWaalsContact CE1-CD1 3.45Å; F34-V164 HydrophobicContact CB-CG1 3.96Å; F34-F168 HydrophobicContact CB-CD2 3.85Å; F34-F168 HydrophobicContact CB-CE2 3.57Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CD1 4.13Å; F34-F168 AromaticContact CD1-CD2 3.97Å; F34-F168 HydrophobicContact CD1-CD2 3.97Å; F34-F168 HydrophobicContact CD1-CE1 4.25Å; F34-F168 HydrophobicContact CD1-CE2 4.11Å; F34-F168 AromaticContact CD1-CG 4Å; F34-F168 HydrophobicContact CD1-CG 4Å; F34-F168 HydrophobicContact CD1-CZ 4.25Å; F34-F168 HydrophobicContact CD2-CB 3.91Å; F34-F168 AromaticContact CD2-CD2 3.32Å; F34-F168 HydrophobicContact CD2-CD2 3.32Å; F34-F168 AromaticContact CD2-CE2 3.99Å; F34-F168 HydrophobicContact CD2-CE2 3.99Å; F34-F168 AromaticContact CD2-CG 3.71Å; F34-F168 HydrophobicContact CD2-CG 3.71Å; F34-F168 HydrophobicContact CE1-CB 4.2Å; F34-F168 HydrophobicContact CE1-CD1 4.03Å; F34-F168 HydrophobicContact CE1-CD2 4.35Å; F34-F168 AromaticContact CE1-CG 3.94Å; F34-F168 HydrophobicContact CE1-CG 3.94Å; F34-F168 HydrophobicContact CE2-CB 3.39Å; F34-F168 AromaticContact CE2-CD2 3.78Å; F34-F168 HydrophobicContact CE2-CD2 3.78Å; F34-F168 AromaticContact CE2-CG 3.67Å; F34-F168 HydrophobicContact CE2-CG 3.67Å; F34-F168 HydrophobicContact CG-CD1 4.42Å; F34-F168 AromaticContact CG-CD2 3.43Å; F34-F168 HydrophobicContact CG-CD2 3.43Å; F34-F168 VanDerWaalsContact CG-CD2 3.43Å; F34-F168 AromaticContact CG-CE2 3.63Å; F34-F168 HydrophobicContact CG-CE2 3.63Å; F34-F168 AromaticContact CG-CG 3.88Å; F34-F168 HydrophobicContact CG-CG 3.88Å; F34-F168 HydrophobicContact CG-CZ 4.21Å; F34-F168 HydrophobicContact CZ-CB 3.55Å; F34-F168 HydrophobicContact CZ-CD1 4.25Å; F34-F168 HydrophobicContact CZ-CD2 4.26Å; F34-F168 AromaticContact CZ-CG 3.78Å; F34-F168 HydrophobicContact CZ-CG 3.78Å
35S94Very high90.4Very high25 Ų2556.1 Ų56.118%0.17530%0.303CS..Hα-helixtrans-73.3-44.1-171.669.40000112.9L31L31-S35 PolarHBondContact O-N 2.88Å; L31-S35 PolarHBondContact O-OG 2.84Å
36D92.4Very high89Confident81 Ų8157.6 Ų57.643%0.43331%0.312SS..Hα-helixtrans-118.44.3-163.4-54.3-11000111.5L32 S38 K52L32-D36 HydrophobicContact CD1-CB 4.09Å; L32-D36 WeakPolarHBondContact O-CA 3.46Å; L32-D36 PolarHBondContact O-N 3.05Å; D36-S38 PolarHBondContact O-N 2.58Å; D36-S38 VanDerWaalsContact O-N 3.09Å; D36-K52 IonicContact OD1-NZ 2.81Å; D36-K52 IonicContact OD2-NZ 2.87Å; D36-K52 PolarHBondContact OD2-NZ 2.9Å
37N94.6Very high87.7Confident123 Ų12364.6 Ų64.666%0.65834%0.344SS*.SBendtrans45.738.3-172.9-166.227.1000113.4L32 R33L32-N37 PolarHBondContact O-N 2.93Å; R33-N37 VanDerWaalsContact NH1-C 3.25Å; R33-N37 PolarHBondContact NH1-O 2.96Å; R33-N37 PolarHBondContact NH1-OD1 3.26Å; R33-N37 VanDerWaalsContact O-CA 3.26Å; R33-N37 WeakPolarHBondContact O-CA 3.45Å; R33-N37 PolarHBondContact O-N 3.47Å
38S94.3Very high86.7Confident46 Ų4666 Ų6632%0.32236%0.36SS..  trans-127.1167.8-178.563.50000111.4L32 R33 D36L32-S38 CarbonylContact C-O 3.32Å; L32-S38 VanDerWaalsContact CD1-OG 3.25Å; L32-S38 WeakPolarHBondContact CD1-OG 3.34Å; L32-S38 WeakPolarHBondContact CG-OG 3.3Å; L32-S38 PolarHBondContact O-N 2.88Å; R33-S38 WeakPolarHBondContact CA-O 3.34Å; R33-S38 PolarHBondContact N-O 3.03Å; D36-S38 PolarHBondContact O-N 2.58Å; D36-S38 VanDerWaalsContact O-N 3.09Å
39F94.3Very high85.9Confident66 Ų6665.8 Ų65.829%0.28936%0.357SS..  trans-147.5133.4-179173-95.7000109.3N29 K41 A158 K159N29-F39 HydrophobicContact CB-CD2 3.95Å; N29-F39 HydrophobicContact CB-CE2 3.93Å; F39-K41 HydrophobicContact CD1-CG 4.33Å; F39-K41 HydrophobicContact CE1-CB 4.49Å; F39-K41 HydrophobicContact CE1-CG 3.67Å; F39-A158 HydrophobicContact CD2-CB 4.16Å; F39-A158 HydrophobicContact CE2-CB 4.29Å; F39-K159 HydrophobicContact CD1-CB 4.4Å; F39-K159 HydrophobicContact CD1-CG 4.26Å; F39-K159 HydrophobicContact CD2-CB 4.1Å; F39-K159 HydrophobicContact CE1-CB 4.04Å; F39-K159 HydrophobicContact CE1-CD 4.1Å; F39-K159 HydrophobicContact CE1-CG 3.9Å; F39-K159 HydrophobicContact CE2-CB 3.72Å; F39-K159 HydrophobicContact CE2-CG 4.48Å; F39-K159 HydrophobicContact CG-CB 4.42Å; F39-K159 HydrophobicContact CZ-CB 3.69Å; F39-K159 HydrophobicContact CZ-CD 4.15Å; F39-K159 HydrophobicContact CZ-CG 4.02Å
40S90.5Very high85.4Confident46 Ų4667 Ų6732%0.32236%0.364SS..  trans-108.8124.2175.3-1780000110.5N29 T42N29-S40 PolarHBondContact ND2-O 3.23Å; N29-S40 PolarHBondContact OD1-N 3.16Å; N29-S40 PolarHBondContact OD1-O 2.82Å; S40-T42 VanDerWaalsContact C-N 3.3Å; S40-T42 PolarHBondContact OG-N 2.77Å; S40-T42 PolarHBondContact OG-O 2.84Å
41K84.7Confident85Confident179 Ų17970.7 Ų70.778%0.77838%0.38SS*.  trans-72.8-26.8169-72.6-179.4-178.5179.40112F39 F43F39-K41 HydrophobicContact CD1-CG 4.33Å; F39-K41 HydrophobicContact CE1-CB 4.49Å; F39-K41 HydrophobicContact CE1-CG 3.67Å; K41-F43 PolarHBondContact O-N 2.87Å; K41-F43 VanDerWaalsContact O-N 3.13Å
42T81.5Confident84.9Confident98 Ų9873.6 Ų73.660%0.60139%0.393SS*.SBendtrans-70.8109.9-178.9-51.70000108.7S40 I44S40-T42 VanDerWaalsContact C-N 3.3Å; S40-T42 PolarHBondContact OG-N 2.77Å; S40-T42 PolarHBondContact OG-O 2.84Å; T42-I44 HydrophobicContact CG2-CD1 4.33Å; T42-I44 HydrophobicContact CG2-CG1 3.99Å; T42-I44 PolarHBondContact O-N 3.26Å
43F72.8Confident84.9Confident139 Ų13975 Ų7561%0.6140%0.403SS*.  trans-77.9108.2172.4178.9-106.4000109.1K41 A45K41-F43 PolarHBondContact O-N 2.87Å; K41-F43 VanDerWaalsContact O-N 3.13Å; F43-A45 HydrophobicContact CE1-CB 4.45Å; F43-A45 HydrophobicContact CZ-CB 4.41Å
44I72.3Confident84.8Confident121 Ų12176.8 Ų76.862%0.62141%0.409SS*.  trans-110.5121.7164.9-57.3178.8000105.3T42 T46T42-I44 HydrophobicContact CG2-CD1 4.33Å; T42-I44 HydrophobicContact CG2-CG1 3.99Å; T42-I44 PolarHBondContact O-N 3.26Å; I44-T46 PolarHBondContact O-N 2.77Å
45A73Confident84.7Confident59 Ų5979.4 Ų79.449%0.48843%0.426SS..  trans-54.7115.1171.900000107.2F43 I47F43-A45 HydrophobicContact CE1-CB 4.45Å; F43-A45 HydrophobicContact CZ-CB 4.41Å; A45-I47 PolarHBondContact O-N 3.31Å; A45-I47 VanDerWaalsContact O-N 3.16Å
46T65.1Low84.9Confident32 Ų3279.3 Ų79.320%0.19642%0.423CS..  trans-68.8121.8-174.4-65.60000107.4T28 I44 A71 G72T28-T46 PolarHBondContact OG1-OG1 3.48Å; I44-T46 PolarHBondContact O-N 2.77Å; T46-A71 HydrophobicContact CG2-CB 3.38Å; T46-A71 CarbonylContact O-C 3.59Å; T46-A71 VanDerWaalsContact O-C 3.32Å; T46-A71 WeakPolarHBondContact O-CB 3.28Å; T46-G72 PolarHBondContact O-N 2.9Å
47I69.2Low85.1Confident161 Ų16182 Ų8283%0.82643%0.433SS*.  trans-87.7121.4-175.1-61.7177.2000107.1A45A45-I47 PolarHBondContact O-N 3.31Å; A45-I47 VanDerWaalsContact O-N 3.16Å
48G72.9Confident85.2Confident36 Ų3676.2 Ų76.237%0.37140%0.402SS..SBendtrans68.1-148.8-174.900000111.8A71G48-A71 CarbonylContact C-O 3.59Å; G48-A71 CarbonylContact O-C 3.57Å; G48-A71 VanDerWaalsContact O-C 3.27Å; G48-A71 PolarHBondContact O-N 3.48Å
49I75.7Confident85.1Confident42 Ų4279.6 Ų79.622%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-120.2126-171.6-58.1-164.6000109.2W68 D69 T70 Y83I49-W68 HydrophobicContact CG2-CB 4.45Å; I49-W68 HydrophobicContact CG2-CE3 3.78Å; I49-D69 WeakPolarHBondContact CA-O 3.37Å; I49-D69 VanDerWaalsContact CG2-O 3.27Å; I49-D69 WeakPolarHBondContact CG2-O 3.5Å; I49-T70 HydrophobicContact CD1-CG2 4.12Å; I49-Y83 HydrophobicContact CD1-CD1 3.79Å; I49-Y83 HydrophobicContact CD1-CD2 3.58Å; I49-Y83 HydrophobicContact CD1-CE1 3.49Å; I49-Y83 VanDerWaalsContact CD1-CE1 3.49Å; I49-Y83 HydrophobicContact CD1-CE2 3.24Å; I49-Y83 HydrophobicContact CD1-CG 3.84Å; I49-Y83 HydrophobicContact CG1-CE2 4.49Å
50D85.3Confident85.1Confident59 Ų5979.1 Ų79.132%0.31643%0.431SS..EExtended strand (participates in β ladder)trans-87.4147.3173.9-166.38.8000110D69D50-D69 HydrophobicContact CB-CB 4.25Å; D50-D69 PolarHBondContact N-O 3.5Å; D50-D69 VanDerWaalsContact N-O 3.08Å; D50-D69 PolarHBondContact O-N 3.36Å
51F88.7Confident85.3Confident80 Ų8080.1 Ų80.135%0.35143%0.429SS..EExtended strand (participates in β ladder)trans-133.1119.9-177.5174.1-100.9000109.8V53 Q66 I67 W68F51-V53 HydrophobicContact CD1-CG2 4.46Å; F51-V53 HydrophobicContact CE1-CG2 3.5Å; F51-V53 HydrophobicContact CZ-CG2 3.55Å; F51-Q66 HydrophobicContact CE2-CB 3.79Å; F51-Q66 HydrophobicContact CE2-CG 4.02Å; F51-Q66 HydrophobicContact CZ-CB 4.14Å; F51-Q66 HydrophobicContact CZ-CG 3.86Å; F51-I67 WeakPolarHBondContact CA-O 3.38Å; F51-W68 AromaticContact CD2-CD1 3.96Å; F51-W68 AromaticContact CD2-CD2 3.76Å; F51-W68 HydrophobicContact CD2-CD2 3.76Å; F51-W68 AromaticContact CD2-CE2 3.43Å; F51-W68 VanDerWaalsContact CD2-CE2 3.43Å; F51-W68 HydrophobicContact CD2-CE3 4.32Å; F51-W68 HydrophobicContact CD2-CG 4.1Å; F51-W68 HydrophobicContact CD2-CH2 4.34Å; F51-W68 AromaticContact CD2-CZ2 3.76Å; F51-W68 HydrophobicContact CD2-CZ2 3.76Å; F51-W68 AromaticContact CD2-NE1 3.56Å; F51-W68 HydrophobicContact CE2-CD2 4.4Å; F51-W68 AromaticContact CE2-CE2 3.65Å; F51-W68 AromaticContact CE2-CZ2 3.88Å; F51-W68 HydrophobicContact CE2-CZ2 3.88Å; F51-W68 AromaticContact CE2-NE1 3.45Å
52K92.9Very high85.9Confident63 Ų6376.7 Ų76.727%0.27441%0.414SS..EExtended strand (participates in β ladder)trans-125.9146.3176.9-68.3-78.2-174.3153.50110.6L31 D36 I67L31-K52 HydrophobicContact CD1-CB 3.94Å; L31-K52 HydrophobicContact CD1-CG 4.31Å; L31-K52 HydrophobicContact CD2-CB 4.04Å; L31-K52 HydrophobicContact CD2-CG 3.8Å; L31-K52 HydrophobicContact CG-CB 4.18Å; L31-K52 HydrophobicContact CG-CG 4Å; D36-K52 IonicContact OD1-NZ 2.81Å; D36-K52 IonicContact OD2-NZ 2.87Å; D36-K52 PolarHBondContact OD2-NZ 2.9Å; K52-I67 PolarHBondContact N-O 3.04Å; K52-I67 PolarHBondContact O-N 2.96Å
53V94.1Very high86.7Confident72 Ų7272 Ų7244%0.43639%0.385SS..EExtended strand (participates in β ladder)trans-114.1129.9174.7-179.20000109.2F51 K64 L65 Q66F51-V53 HydrophobicContact CD1-CG2 4.46Å; F51-V53 HydrophobicContact CE1-CG2 3.5Å; F51-V53 HydrophobicContact CZ-CG2 3.55Å; V53-K64 HydrophobicContact CG1-CD 3.86Å; V53-K64 HydrophobicContact CG1-CG 3.53Å; V53-L65 VanDerWaalsContact CA-O 3.29Å; V53-L65 WeakPolarHBondContact CA-O 3.41Å; V53-Q66 HydrophobicContact CG2-CG 4.37Å
54R94.9Very high87.9Confident83 Ų8366.8 Ų66.831%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-138128.7171-172.4178.2-168.5-162.26.5110.3F34 I56 L65F34-R54 HydrophobicContact CE1-CB 3.89Å; F34-R54 HydrophobicContact CE1-CG 4.1Å; F34-R54 HydrophobicContact CZ-CG 4.42Å; F34-R54 PolarHBondContact O-NE 3.29Å; F34-R54 PolarHBondContact O-NH1 2.98Å; R54-I56 HydrophobicContact CG-CG2 4.41Å; R54-L65 PolarHBondContact N-O 3.34Å; R54-L65 WeakPolarHBondContact O-CA 3.39Å; R54-L65 WeakPolarHBondContact O-CB 3.24Å; R54-L65 PolarHBondContact O-N 3.11Å
55T96.2Very high89.1Confident57 Ų5761 Ų6135%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-89.4129.7171.1-55.80000109.4K62 I63T55-K62 HydrophobicContact CG2-CB 3.98Å; T55-I63 CarbonylContact C-O 3.59Å; T55-I63 WeakPolarHBondContact CA-O 3.43Å
56I97.2Very high90.2Very high23 Ų2360.5 Ų60.512%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-120.2162.4172.262.4170.8000109.7F34 R54 I58 I63 L65 A172F34-I56 HydrophobicContact CZ-CG2 3.92Å; R54-I56 HydrophobicContact CG-CG2 4.41Å; I56-I58 HydrophobicContact CD1-CD1 3.58Å; I56-I58 HydrophobicContact CD1-CG1 4.08Å; I56-I58 HydrophobicContact CG1-CD1 4.3Å; I56-I58 HydrophobicContact CG1-CG1 4.44Å; I56-I63 HydrophobicContact CG1-CB 4.3Å; I56-I63 PolarHBondContact N-O 3.36Å; I56-I63 PolarHBondContact O-N 2.9Å; I56-L65 HydrophobicContact CD1-CD1 3.78Å; I56-L65 HydrophobicContact CD1-CG 4.32Å; I56-L65 HydrophobicContact CG1-CD1 4.15Å; I56-L65 HydrophobicContact CG1-CG 4.28Å; I56-A172 HydrophobicContact CD1-CB 3.98Å
57E97Very high91.7Very high136 Ų13659 Ų5964%0.63631%0.311SS*.EExtended strand (participates in β ladder)trans-108.1127175.2-166.1176148.700110.3K61E57-K61 WeakPolarHBondContact CA-O 3.22Å
58I96.5Very high92.9Very high3 Ų354.4 Ų54.42%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-133.9121.9177-67.7175.1000107.5I56 G60 K61 I63 T169 A172 R173 K176I56-I58 HydrophobicContact CD1-CD1 3.58Å; I56-I58 HydrophobicContact CD1-CG1 4.08Å; I56-I58 HydrophobicContact CG1-CD1 4.3Å; I56-I58 HydrophobicContact CG1-CG1 4.44Å; I58-G60 PolarHBondContact O-N 2.94Å; I58-K61 PolarHBondContact N-O 3.4Å; I58-K61 WeakPolarHBondContact O-CB 3.33Å; I58-K61 PolarHBondContact O-N 3.19Å; I58-I63 HydrophobicContact CB-CD1 3.81Å; I58-I63 HydrophobicContact CD1-CD1 4.03Å; I58-I63 HydrophobicContact CG1-CD1 4.3Å; I58-I63 HydrophobicContact CG2-CD1 4.42Å; I58-T169 HydrophobicContact CD1-CG2 4.18Å; I58-T169 HydrophobicContact CG1-CG2 4.3Å; I58-A172 HydrophobicContact CD1-CB 3.49Å; I58-A172 VanDerWaalsContact CD1-CB 3.49Å; I58-R173 HydrophobicContact CD1-CG 4.07Å; I58-R173 HydrophobicContact CG2-CG 3.63Å; I58-K176 HydrophobicContact CG2-CD 3.99Å
59D93.3Very high93.7Very high116 Ų11652.7 Ų52.762%0.6227%0.266SS*.THydrogen-bonded Turntrans52.940.4179.2-45.8-30.5000112.8K61 K176D59-K61 PolarHBondContact O-N 3.47Å; D59-K176 WeakPolarHBondContact OD2-CE 3.33Å; D59-K176 IonicContact OD2-NZ 2.93Å; D59-K176 PolarHBondContact OD2-NZ 3Å
60G93.2Very high93.9Very high57 Ų5750.7 Ų50.759%0.58826%0.256SS*.THydrogen-bonded Turntrans74.9-1.7-177.500000115.4I58I58-G60 PolarHBondContact O-N 2.94Å
61K95.1Very high93.1Very high66 Ų6648 Ų4829%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-95.6134.3174.8-66.3-177.9176.6176.30111.1D12 E13 E57 I58 D59 I63 E180D12-K61 HydrophobicContact CB-CB 4.32Å; D12-K61 WeakPolarHBondContact OD2-CA 3.39Å; E13-K61 WeakPolarHBondContact OE1-CD 3.5Å; E13-K61 IonicContact OE1-NZ 3.18Å; E13-K61 PolarHBondContact OE1-NZ 3.3Å; E57-K61 WeakPolarHBondContact CA-O 3.22Å; I58-K61 PolarHBondContact N-O 3.4Å; I58-K61 WeakPolarHBondContact O-CB 3.33Å; I58-K61 PolarHBondContact O-N 3.19Å; D59-K61 PolarHBondContact O-N 3.47Å; K61-I63 HydrophobicContact CB-CG1 4.45Å; K61-I63 PolarHBondContact O-N 2.93Å; K61-E180 IonicContact NZ-OE1 3.63Å; K61-E180 PolarHBondContact NZ-OE1 3.16Å
62K97.2Very high91.5Very high107 Ų10745 Ų4547%0.46523%0.234SC..EExtended strand (participates in β ladder)trans-80.2113.6170-69.5-178.4-176.5177.90109.8D10 D12 E13 T55D10-K62 VanDerWaalsContact O-CD 3.32Å; D10-K62 WeakPolarHBondContact O-CD 3.24Å; D12-K62 PolarHBondContact N-O 3.03Å; D12-K62 PolarHBondContact OD2-N 3.31Å; E13-K62 PolarHBondContact N-O 2.95Å; T55-K62 HydrophobicContact CG2-CB 3.98Å
63I98Very high89.7Confident0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-110113.5-178.2-54.7-170.9000109.4E13 Y15 T55 I56 I58 K61 L65 K176E13-I63 CarbonylContact O-C 3.59Å; E13-I63 WeakPolarHBondContact O-CA 3.46Å; Y15-I63 HydrophobicContact CD1-CG2 4.42Å; Y15-I63 HydrophobicContact CD2-CG2 3.35Å; Y15-I63 HydrophobicContact CE1-CG2 4.42Å; Y15-I63 HydrophobicContact CE2-CD1 3.72Å; Y15-I63 HydrophobicContact CE2-CG2 3.41Å; Y15-I63 VanDerWaalsContact CE2-CG2 3.41Å; Y15-I63 HydrophobicContact CG-CG2 3.88Å; T55-I63 CarbonylContact C-O 3.59Å; T55-I63 WeakPolarHBondContact CA-O 3.43Å; I56-I63 HydrophobicContact CG1-CB 4.3Å; I56-I63 PolarHBondContact N-O 3.36Å; I56-I63 PolarHBondContact O-N 2.9Å; I58-I63 HydrophobicContact CB-CD1 3.81Å; I58-I63 HydrophobicContact CD1-CD1 4.03Å; I58-I63 HydrophobicContact CG1-CD1 4.3Å; I58-I63 HydrophobicContact CG2-CD1 4.42Å; K61-I63 HydrophobicContact CB-CG1 4.45Å; K61-I63 PolarHBondContact O-N 2.93Å; I63-L65 HydrophobicContact CG2-CD2 3.86Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-K176 HydrophobicContact CD1-CD 4.26Å
64K97.6Very high87.7Confident30 Ų3043.4 Ų43.413%0.1322%0.222CC..EExtended strand (participates in β ladder)trans-83.2106.4176.4-175.1166.8-73-178.50110.2D10 Y11 E13 M14 Y15 V53D10-K64 IonicContact OD1-NZ 2.88Å; D10-K64 PolarHBondContact OD1-NZ 2.8Å; D10-K64 IonicContact OD2-NZ 3.72Å; D10-K64 PolarHBondContact OD2-NZ 3.39Å; Y11-K64 HydrophobicContact CD1-CB 4.16Å; Y11-K64 HydrophobicContact CD1-CD 3.69Å; Y11-K64 HydrophobicContact CD2-CB 4.01Å; Y11-K64 HydrophobicContact CE1-CD 3.82Å; Y11-K64 HydrophobicContact CG-CB 3.73Å; Y11-K64 HydrophobicContact CG-CD 4.16Å; E13-K64 PolarHBondContact O-N 3.45Å; M14-K64 CarbonylContact C-O 3.56Å; M14-K64 VanDerWaalsContact CA-O 3.24Å; M14-K64 WeakPolarHBondContact CA-O 3.15Å; M14-K64 HydrophobicContact CB-CB 4.41Å; M14-K64 HydrophobicContact CE-CD 3.64Å; M14-K64 HydrophobicContact CE-CG 4.19Å; Y15-K64 PolarHBondContact N-O 2.82Å; V53-K64 HydrophobicContact CG1-CD 3.86Å; V53-K64 HydrophobicContact CG1-CG 3.53Å
65L98.4Very high86Confident0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-85.2124.8175.2-55.1-177.1000110.2Y15 L17 F34 V53 R54 I56 I63 I67 F168 A172Y15-L65 HydrophobicContact CD2-CD2 4.06Å; Y15-L65 HydrophobicContact CG-CD2 4.42Å; Y15-L65 WeakPolarHBondContact O-CA 3.41Å; L17-L65 HydrophobicContact CD1-CB 4.36Å; L17-L65 HydrophobicContact CD1-CD1 3.99Å; L17-L65 HydrophobicContact CD1-CD2 4.11Å; L17-L65 HydrophobicContact CD1-CG 4.39Å; L17-L65 HydrophobicContact CG-CD2 4.49Å; F34-L65 HydrophobicContact CE1-CD1 4.07Å; F34-L65 HydrophobicContact CZ-CD1 3.87Å; V53-L65 VanDerWaalsContact CA-O 3.29Å; V53-L65 WeakPolarHBondContact CA-O 3.41Å; R54-L65 PolarHBondContact N-O 3.34Å; R54-L65 WeakPolarHBondContact O-CA 3.39Å; R54-L65 WeakPolarHBondContact O-CB 3.24Å; R54-L65 PolarHBondContact O-N 3.11Å; I56-L65 HydrophobicContact CD1-CD1 3.78Å; I56-L65 HydrophobicContact CD1-CG 4.32Å; I56-L65 HydrophobicContact CG1-CD1 4.15Å; I56-L65 HydrophobicContact CG1-CG 4.28Å; I63-L65 HydrophobicContact CG2-CD2 3.86Å; I63-L65 PolarHBondContact O-N 3.43Å; L65-I67 HydrophobicContact CB-CD1 4.24Å; L65-I67 HydrophobicContact CB-CG1 4.07Å; L65-F168 HydrophobicContact CD1-CB 4.48Å; L65-A172 HydrophobicContact CD2-CB 4.1Å
66Q96.7Very high84.2Confident47 Ų4752.4 Ų52.422%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-102.3101.3170.6-78.8-167.850.800108.4M14 Y15 K16 L17 F51 V53M14-Q66 HydrophobicContact CG-CG 4.36Å; M14-Q66 PolarHBondContact SD-NE2 3.38Å; Y15-Q66 PolarHBondContact O-N 2.9Å; K16-Q66 WeakPolarHBondContact CA-O 3.29Å; L17-Q66 PolarHBondContact N-O 2.8Å; F51-Q66 HydrophobicContact CE2-CB 3.79Å; F51-Q66 HydrophobicContact CE2-CG 4.02Å; F51-Q66 HydrophobicContact CZ-CB 4.14Å; F51-Q66 HydrophobicContact CZ-CG 3.86Å; V53-Q66 HydrophobicContact CG2-CG 4.37Å
67I96.1Very high82.4Confident0 Ų055.7 Ų55.70%027%0.265CS..EExtended strand (participates in β ladder)trans-105.5122.7-170.7-52.4164.5000109.1L17 L19 L31 F34 F51 K52 L65 F168L17-I67 HydrophobicContact CB-CG1 4.21Å; L17-I67 HydrophobicContact CB-CG2 4.5Å; L17-I67 HydrophobicContact CD1-CG1 4.19Å; L19-I67 HydrophobicContact CD1-CG2 4.22Å; L19-I67 HydrophobicContact CD2-CG2 4.46Å; L19-I67 HydrophobicContact CG-CG2 4.04Å; L31-I67 HydrophobicContact CD1-CB 3.82Å; L31-I67 HydrophobicContact CD1-CD1 3.83Å; L31-I67 HydrophobicContact CD1-CG1 4.44Å; L31-I67 HydrophobicContact CD1-CG2 3.66Å; L31-I67 HydrophobicContact CD2-CG2 4.39Å; F34-I67 HydrophobicContact CD1-CD1 3.54Å; F34-I67 HydrophobicContact CE1-CD1 3.45Å; F34-I67 VanDerWaalsContact CE1-CD1 3.45Å; F51-I67 WeakPolarHBondContact CA-O 3.38Å; K52-I67 PolarHBondContact N-O 3.04Å; K52-I67 PolarHBondContact O-N 2.96Å; L65-I67 HydrophobicContact CB-CD1 4.24Å; L65-I67 HydrophobicContact CB-CG1 4.07Å; I67-F168 HydrophobicContact CD1-CD1 3.88Å; I67-F168 HydrophobicContact CD1-CE1 3.6Å; I67-F168 HydrophobicContact CD1-CZ 4.39Å; I67-F168 HydrophobicContact CG1-CE1 4.23Å; I67-F168 HydrophobicContact CG2-CE1 4.11Å
68W93.3Very high80.8Confident65 Ų6553.5 Ų53.525%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-104.4117.1178.1-65.476.2000109L17 L18 L19 I49 F51 Y83L17-W68 PolarHBondContact O-N 3.46Å; L18-W68 HydrophobicContact CD1-CB 3.61Å; L19-W68 PolarHBondContact N-O 3.19Å; I49-W68 HydrophobicContact CG2-CB 4.45Å; I49-W68 HydrophobicContact CG2-CE3 3.78Å; F51-W68 AromaticContact CD2-CD1 3.96Å; F51-W68 AromaticContact CD2-CD2 3.76Å; F51-W68 HydrophobicContact CD2-CD2 3.76Å; F51-W68 AromaticContact CD2-CE2 3.43Å; F51-W68 VanDerWaalsContact CD2-CE2 3.43Å; F51-W68 HydrophobicContact CD2-CE3 4.32Å; F51-W68 HydrophobicContact CD2-CG 4.1Å; F51-W68 HydrophobicContact CD2-CH2 4.34Å; F51-W68 AromaticContact CD2-CZ2 3.76Å; F51-W68 HydrophobicContact CD2-CZ2 3.76Å; F51-W68 AromaticContact CD2-NE1 3.56Å; F51-W68 HydrophobicContact CE2-CD2 4.4Å; F51-W68 AromaticContact CE2-CE2 3.65Å; F51-W68 AromaticContact CE2-CZ2 3.88Å; F51-W68 HydrophobicContact CE2-CZ2 3.88Å; F51-W68 AromaticContact CE2-NE1 3.45Å; W68-Y83 HydrophobicContact CE3-CD1 4.2Å; W68-Y83 HydrophobicContact CE3-CE1 4.35Å; W68-Y83 HydrophobicContact CZ3-CD1 4.37Å; W68-Y83 HydrophobicContact CZ3-CE1 4.19Å
69D90.9Very high79.4Confident0 Ų053.7 Ų53.70%026%0.262CS..EExtended strand (participates in β ladder)trans-96.8107.4174.4-179.933.4000110.1L19 K27 T28 L31 I49 D50 A71L19-D69 HydrophobicContact CD1-CB 4.43Å; K27-D69 WeakPolarHBondContact CB-OD1 3.29Å; T28-D69 WeakPolarHBondContact CA-OD2 3.36Å; T28-D69 WeakPolarHBondContact CB-OD2 3.48Å; T28-D69 PolarHBondContact N-OD2 2.92Å; T28-D69 PolarHBondContact OG1-OD2 3.05Å; L31-D69 HydrophobicContact CD2-CB 3.71Å; I49-D69 WeakPolarHBondContact CA-O 3.37Å; I49-D69 VanDerWaalsContact CG2-O 3.27Å; I49-D69 WeakPolarHBondContact CG2-O 3.5Å; D50-D69 HydrophobicContact CB-CB 4.25Å; D50-D69 PolarHBondContact N-O 3.5Å; D50-D69 VanDerWaalsContact N-O 3.08Å; D50-D69 PolarHBondContact O-N 3.36Å; D69-A71 PolarHBondContact O-N 2.75Å
70T79.6Confident78.3Confident1 Ų151.2 Ų51.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-85104.3-176.670.10000110.1L18 L19 K27 I49 I79L18-T70 HydrophobicContact CD1-CG2 3.35Å; L18-T70 HydrophobicContact CG-CG2 3.99Å; L19-T70 PolarHBondContact O-OG1 2.78Å; K27-T70 WeakPolarHBondContact CE-O 3.32Å; I49-T70 HydrophobicContact CD1-CG2 4.12Å; T70-I79 HydrophobicContact CG2-CD1 4.08Å; T70-I79 HydrophobicContact CG2-CG1 4.5Å; T70-I79 HydrophobicContact CG2-CG2 4.36Å
71A67.2Low77.2Confident3 Ų352.3 Ų52.33%0.02525%0.247CC..  trans-122.5167174.500000112.9T46 G48 D69 Q73 E74T46-A71 HydrophobicContact CG2-CB 3.38Å; T46-A71 CarbonylContact O-C 3.59Å; T46-A71 VanDerWaalsContact O-C 3.32Å; T46-A71 WeakPolarHBondContact O-CB 3.28Å; G48-A71 CarbonylContact C-O 3.59Å; G48-A71 CarbonylContact O-C 3.57Å; G48-A71 VanDerWaalsContact O-C 3.27Å; G48-A71 PolarHBondContact O-N 3.48Å; D69-A71 PolarHBondContact O-N 2.75Å; A71-Q73 PolarHBondContact O-N 2.82Å; A71-E74 WeakPolarHBondContact CA-OE2 3.11Å
72G55.9Low76.3Confident17 Ų1752 Ų5218%0.17526%0.256CS..SBendtrans72.7-35.1-177.500000115.6T46 E74 R75T46-G72 PolarHBondContact O-N 2.9Å; G72-E74 WeakPolarHBondContact CA-OE2 3.47Å; G72-E74 PolarHBondContact N-OE2 2.98Å; G72-R75 PolarHBondContact O-NE 3.36Å
73Q55.5Low75.6Confident86 Ų8650.2 Ų50.240%0.40225%0.247SC..SBendtrans-88.1-17.2-178.3-70.6-68.478.500113.7A71 R75 F76A71-Q73 PolarHBondContact O-N 2.82Å; Q73-R75 PolarHBondContact O-N 3.47Å; Q73-F76 PolarHBondContact O-N 3.49Å
74E52.1Low75.1Confident14 Ų1450.4 Ų50.47%0.06525%0.248CC..G310 helixtrans-66.9-17.4175.679.3-71.4178.600113.4S23 A71 G72 F76 R77 W108S23-E74 WeakPolarHBondContact CA-OE1 3.35Å; S23-E74 VanDerWaalsContact CB-OE1 3.29Å; S23-E74 WeakPolarHBondContact CB-OE1 3.46Å; S23-E74 VanDerWaalsContact OG-CG 3.23Å; S23-E74 WeakPolarHBondContact OG-CG 3.38Å; S23-E74 PolarHBondContact OG-OE1 3.09Å; A71-E74 WeakPolarHBondContact CA-OE2 3.11Å; G72-E74 WeakPolarHBondContact CA-OE2 3.47Å; G72-E74 PolarHBondContact N-OE2 2.98Å; E74-F76 PolarHBondContact O-N 3.12Å; E74-F76 VanDerWaalsContact O-N 3.14Å; E74-R77 WeakPolarHBondContact O-CA 3.22Å; E74-R77 PolarHBondContact O-N 3.28Å; E74-W108 HydrophobicContact CB-CH2 3.55Å; E74-W108 HydrophobicContact CB-CZ2 3.7Å
75R59.3Low74.6Confident182 Ų18258.7 Ų58.769%0.68728%0.278SS*.G310 helixtrans-56.8-27.5173.5-70.4-168.6-65.2168.2-0112.8G72 Q73G72-R75 PolarHBondContact O-NE 3.36Å; Q73-R75 PolarHBondContact O-N 3.47Å
76F58.6Low74.3Confident147 Ų14761.5 Ų61.565%0.64531%0.307SS*.G310 helixtrans-1045.7174-56.1-66.2000112.9Q73 E74 T78Q73-F76 PolarHBondContact O-N 3.49Å; E74-F76 PolarHBondContact O-N 3.12Å; E74-F76 VanDerWaalsContact O-N 3.14Å; F76-T78 PolarHBondContact O-N 3.05Å; F76-T78 PolarHBondContact O-OG1 3.13Å
77R59Low74.2Confident93 Ų9359.6 Ų59.635%0.35130%0.299SS..THydrogen-bonded Turntrans53.717.5-173.5-53.2179.6-173.5-167.2-1.6113.8E74 N104 T107 W108 N111E74-R77 WeakPolarHBondContact O-CA 3.22Å; E74-R77 PolarHBondContact O-N 3.28Å; R77-N104 PolarHBondContact NH1-OD1 3.17Å; R77-N104 PolarHBondContact NH2-ND2 2.89Å; R77-N104 PolarHBondContact NH2-OD1 2.83Å; R77-T107 HydrophobicContact CB-CG2 4.43Å; R77-W108 HydrophobicContact CB-CZ2 4.47Å; R77-N111 PolarHBondContact O-ND2 2.85Å
78T64Low74.2Confident90 Ų9061.8 Ų61.855%0.55231%0.31SS*.  trans-113.9105.6-178.4-55.70000108.6F76F76-T78 PolarHBondContact O-N 3.05Å; F76-T78 PolarHBondContact O-OG1 3.13Å
79I66.6Low74.4Confident6 Ų658.7 Ų58.73%0.03130%0.298CS..  trans-86.7132.5166.4-66.5168.3000107V20 T70 T81 Y83 Y84 W108V20-I79 HydrophobicContact CB-CD1 3.84Å; V20-I79 HydrophobicContact CG1-CD1 3.32Å; T70-I79 HydrophobicContact CG2-CD1 4.08Å; T70-I79 HydrophobicContact CG2-CG1 4.5Å; T70-I79 HydrophobicContact CG2-CG2 4.36Å; I79-T81 PolarHBondContact O-N 3.44Å; I79-Y83 HydrophobicContact CG2-CD2 3.82Å; I79-Y83 HydrophobicContact CG2-CG 4.27Å; I79-Y84 HydrophobicContact CB-CE2 3.75Å; I79-Y84 HydrophobicContact CG2-CD2 4.32Å; I79-Y84 HydrophobicContact CG2-CE2 3.89Å; I79-W108 HydrophobicContact CD1-CE3 4.21Å; I79-W108 HydrophobicContact CD1-CH2 4.25Å; I79-W108 HydrophobicContact CD1-CZ3 3.45Å; I79-W108 VanDerWaalsContact CD1-CZ3 3.45Å; I79-W108 HydrophobicContact CG1-CH2 4.35Å; I79-W108 HydrophobicContact CG1-CZ3 3.79Å
80T69.1Low74.7Confident64 Ų6458.7 Ų58.739%0.39330%0.298SS..  trans-56130.6175.5-49.30000109.8A82 Y83T80-A82 HydrophobicContact CG2-CB 3.99Å; T80-A82 PolarHBondContact O-N 2.68Å; T80-Y83 WeakPolarHBondContact O-CD2 3.21Å; T80-Y83 PolarHBondContact O-N 2.98Å
81T70.3Confident75.6Confident81 Ų8158.7 Ų58.750%0.49730%0.298SS..Hα-helixtrans-49.8-30.5-17963.80000113.3I79 Y83 Y84 R85 H115I79-T81 PolarHBondContact O-N 3.44Å; T81-Y83 PolarHBondContact O-N 2.91Å; T81-Y84 PolarHBondContact O-N 2.8Å; T81-R85 PolarHBondContact O-N 2.82Å; T81-H115 WeakPolarHBondContact CG2-CD2 3.47Å; T81-H115 VanDerWaalsContact CG2-NE2 3.35Å; T81-H115 WeakPolarHBondContact CG2-NE2 3.39Å
82A77.9Confident77Confident60 Ų6058.5 Ų58.550%0.49630%0.297SS..Hα-helixtrans-53.6-32.2174.400000114.3T80 R85T80-A82 HydrophobicContact CG2-CB 3.99Å; T80-A82 PolarHBondContact O-N 2.68Å; A82-R85 WeakPolarHBondContact O-CB 3.29Å
83Y81.6Confident79Confident69 Ų6957.7 Ų57.727%0.27129%0.289SS..Hα-helixtrans-78.2-36.4-178.6-62-64.5000112.7K16 I49 W68 I79 T80 T81 R85K16-Y83 WeakPolarHBondContact CE-O 3.11Å; K16-Y83 PolarHBondContact NZ-O 2.85Å; I49-Y83 HydrophobicContact CD1-CD1 3.79Å; I49-Y83 HydrophobicContact CD1-CD2 3.58Å; I49-Y83 HydrophobicContact CD1-CE1 3.49Å; I49-Y83 VanDerWaalsContact CD1-CE1 3.49Å; I49-Y83 HydrophobicContact CD1-CE2 3.24Å; I49-Y83 HydrophobicContact CD1-CG 3.84Å; I49-Y83 HydrophobicContact CG1-CE2 4.49Å; W68-Y83 HydrophobicContact CE3-CD1 4.2Å; W68-Y83 HydrophobicContact CE3-CE1 4.35Å; W68-Y83 HydrophobicContact CZ3-CD1 4.37Å; W68-Y83 HydrophobicContact CZ3-CE1 4.19Å; I79-Y83 HydrophobicContact CG2-CD2 3.82Å; I79-Y83 HydrophobicContact CG2-CG 4.27Å; T80-Y83 WeakPolarHBondContact O-CD2 3.21Å; T80-Y83 PolarHBondContact O-N 2.98Å; T81-Y83 PolarHBondContact O-N 2.91Å; Y83-R85 PolarHBondContact O-N 2.69Å
84Y87.6Confident81.1Confident3 Ų353.6 Ų53.61%0.01227%0.27CS..Hα-helixtrans-63.8-31.5173.1-69.1-66.1000112.1L18 I79 T81 G86 A87 I90 I112 H115 T116L18-Y84 HydrophobicContact CD2-CD1 3.77Å; L18-Y84 HydrophobicContact CD2-CE1 3.8Å; I79-Y84 HydrophobicContact CB-CE2 3.75Å; I79-Y84 HydrophobicContact CG2-CD2 4.32Å; I79-Y84 HydrophobicContact CG2-CE2 3.89Å; T81-Y84 PolarHBondContact O-N 2.8Å; Y84-G86 PolarHBondContact O-N 2.86Å; Y84-G86 VanDerWaalsContact O-N 3.12Å; Y84-A87 VanDerWaalsContact O-CB 3.29Å; Y84-A87 WeakPolarHBondContact O-CB 3.29Å; Y84-A87 PolarHBondContact O-N 3.24Å; Y84-I90 HydrophobicContact CD1-CD1 3.9Å; Y84-I90 HydrophobicContact CE1-CD1 4.18Å; Y84-I112 HydrophobicContact CE1-CB 4.48Å; Y84-I112 HydrophobicContact CE1-CG1 3.74Å; Y84-H115 WeakPolarHBondContact CB-O 3.36Å; Y84-H115 HydrophobicContact CD2-CB 3.47Å; Y84-H115 VanDerWaalsContact CD2-CB 3.47Å; Y84-H115 HydrophobicContact CE2-CB 4.08Å; Y84-H115 HydrophobicContact CG-CB 3.76Å; Y84-T116 HydrophobicContact CD1-CG2 3.69Å; Y84-T116 HydrophobicContact CG-CG2 4.06Å
85R87.7Confident83.3Confident205 Ų20553.2 Ų53.277%0.77427%0.268SS*.THydrogen-bonded Turntrans-55.1119.9179.4-174.6175.4175.280.70.4111.4K16 T81 A82 Y83 A87K16-R85 PolarHBondContact NZ-O 2.83Å; T81-R85 PolarHBondContact O-N 2.82Å; A82-R85 WeakPolarHBondContact O-CB 3.29Å; Y83-R85 PolarHBondContact O-N 2.69Å; R85-A87 PolarHBondContact O-N 3.38Å
86G90.5Very high85.2Confident58 Ų5844.6 Ų44.660%0.59824%0.235SC*.THydrogen-bonded Turntrans71.39178.800000114.7Y84 M88Y84-G86 PolarHBondContact O-N 2.86Å; Y84-G86 VanDerWaalsContact O-N 3.12Å; G86-M88 PolarHBondContact O-N 3.45Å
87A95Very high87.1Confident7 Ų739.2 Ų39.26%0.05821%0.214CC..  trans-61.1134.7167.600000109.1Y84 R85 I90 V120Y84-A87 VanDerWaalsContact O-CB 3.29Å; Y84-A87 WeakPolarHBondContact O-CB 3.29Å; Y84-A87 PolarHBondContact O-N 3.24Å; R85-A87 PolarHBondContact O-N 3.38Å; A87-I90 HydrophobicContact CB-CD1 4.32Å; A87-I90 HydrophobicContact CB-CG1 4.2Å; A87-V120 WeakPolarHBondContact O-CG2 3.41Å
88M96.8Very high89Confident47 Ų4737.3 Ų37.323%0.23221%0.211CC..SBendtrans-105.5-32.2179.6-60.4174.475.900110.9Y15 K16 G86 A121 I175 R179Y15-M88 HydrophobicContact CD1-CE 3.66Å; Y15-M88 HydrophobicContact CD1-SD 3.99Å; Y15-M88 HydrophobicContact CE1-CE 4.17Å; Y15-M88 HydrophobicContact CG-CE 4.48Å; K16-M88 PolarHBondContact O-N 3.28Å; G86-M88 PolarHBondContact O-N 3.45Å; M88-A121 PolarHBondContact O-N 3.29Å; M88-I175 HydrophobicContact CB-CD1 4.08Å; M88-I175 HydrophobicContact CB-CG1 4.43Å; M88-I175 HydrophobicContact CB-CG2 4.04Å; M88-I175 HydrophobicContact CE-CG2 3.7Å; M88-R179 HydrophobicContact CE-CG 4.38Å
89G98Very high90.6Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-132.1144.9171.400000111.9K16 L17 L18 A121K16-G89 PolarHBondContact O-N 3.39Å; L17-G89 VanDerWaalsContact CA-O 3.3Å; L17-G89 WeakPolarHBondContact CA-O 3.3Å; L18-G89 PolarHBondContact N-O 3.24Å; G89-A121 CarbonylContact C-O 3.56Å; G89-A121 WeakPolarHBondContact CA-O 3.48Å
90I96.9Very high92.1Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-129.9130.4173.8-59.4179.1000109.4L18 V20 Y84 A87 L92 I112 T116 V120 A121 K122 M123L18-I90 HydrophobicContact CB-CG1 4.14Å; L18-I90 WeakPolarHBondContact O-CA 3.42Å; V20-I90 HydrophobicContact CG1-CG2 4.23Å; V20-I90 HydrophobicContact CG2-CG2 3.87Å; Y84-I90 HydrophobicContact CD1-CD1 3.9Å; Y84-I90 HydrophobicContact CE1-CD1 4.18Å; A87-I90 HydrophobicContact CB-CD1 4.32Å; A87-I90 HydrophobicContact CB-CG1 4.2Å; I90-L92 HydrophobicContact CG2-CD1 4.4Å; I90-I112 HydrophobicContact CD1-CG1 4.11Å; I90-I112 HydrophobicContact CD1-CG2 3.84Å; I90-I112 HydrophobicContact CG2-CD1 3.72Å; I90-I112 HydrophobicContact CG2-CG1 4.22Å; I90-T116 HydrophobicContact CD1-CG2 3.81Å; I90-V120 HydrophobicContact CB-CG1 4.47Å; I90-V120 HydrophobicContact CD1-CG1 3.83Å; I90-V120 HydrophobicContact CG1-CG1 3.7Å; I90-A121 PolarHBondContact N-O 3.29Å; I90-K122 WeakPolarHBondContact O-CA 3.29Å; I90-M123 PolarHBondContact O-N 2.92Å
91M98.2Very high93.4Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-104.5117.9170.5-61.2179.416700109.1L18 L19 V20 M123 L125 A167 F168 L171L18-M91 PolarHBondContact O-N 2.91Å; L19-M91 HydrophobicContact CD2-CB 3.69Å; L19-M91 HydrophobicContact CD2-CG 4.03Å; L19-M91 HydrophobicContact CD2-SD 3.55Å; L19-M91 VanDerWaalsContact CD2-SD 3.55Å; V20-M91 PolarHBondContact N-O 2.9Å; M91-M123 CarbonylContact C-O 3.48Å; M91-M123 WeakPolarHBondContact CA-O 3.33Å; M91-L125 HydrophobicContact CB-CD1 4.13Å; M91-L125 HydrophobicContact CB-CG 4.47Å; M91-L125 HydrophobicContact CG-CD1 4.37Å; M91-L125 HydrophobicContact SD-CD1 3.88Å; M91-A167 WeakPolarHBondContact CE-O 3.45Å; M91-F168 VanDerWaalsContact CE-CA 3.42Å; M91-F168 HydrophobicContact CE-CB 4.11Å; M91-F168 HydrophobicContact CE-CD1 3.45Å; M91-F168 VanDerWaalsContact CE-CD1 3.45Å; M91-F168 HydrophobicContact CE-CD2 4.25Å; M91-F168 HydrophobicContact CE-CE1 3.83Å; M91-F168 HydrophobicContact CE-CG 3.68Å; M91-F168 HydrophobicContact CE-CZ 4.38Å; M91-F168 HydrophobicContact SD-CD1 3.99Å; M91-F168 HydrophobicContact SD-CE1 3.7Å; M91-F168 HydrophobicContact SD-CE2 4.42Å; M91-F168 HydrophobicContact SD-CG 4.46Å; M91-F168 HydrophobicContact SD-CZ 3.94Å; M91-L171 HydrophobicContact CE-CB 3.94Å; M91-L171 HydrophobicContact CE-CD2 3.7Å; M91-L171 HydrophobicContact CE-CG 4.49Å; M91-L171 HydrophobicContact CG-CD2 3.51Å; M91-L171 HydrophobicContact SD-CD2 4.4Å
92L97.2Very high94.7Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-90.4127.2170.8-58.587.5000108V20 I90 I105 W108 M109 I112 K122 M123 L124 L125 I151V20-L92 HydrophobicContact CG2-CB 4.34Å; V20-L92 HydrophobicContact CG2-CG 3.93Å; V20-L92 WeakPolarHBondContact O-CA 3.26Å; I90-L92 HydrophobicContact CG2-CD1 4.4Å; L92-I105 HydrophobicContact CB-CD1 4.09Å; L92-I105 HydrophobicContact CD2-CG2 4.12Å; L92-W108 HydrophobicContact CD2-CB 4.07Å; L92-M109 HydrophobicContact CD1-CE 3.89Å; L92-M109 HydrophobicContact CD2-CB 4.31Å; L92-M109 HydrophobicContact CD2-CE 3.6Å; L92-M109 HydrophobicContact CD2-SD 4.39Å; L92-M109 HydrophobicContact CG-CE 4.43Å; L92-I112 HydrophobicContact CD1-CD1 3.75Å; L92-I112 HydrophobicContact CD2-CD1 3.59Å; L92-I112 HydrophobicContact CG-CD1 3.59Å; L92-K122 HydrophobicContact CD1-CB 4.5Å; L92-M123 PolarHBondContact N-O 2.84Å; L92-L124 HydrophobicContact CB-CD1 4.02Å; L92-L124 CarbonylContact O-C 3.27Å; L92-L124 WeakPolarHBondContact O-CA 3.43Å; L92-L125 PolarHBondContact O-N 3.15Å; L92-I151 HydrophobicContact CD1-CD1 4.47Å
93V98.1Very high95.7Very high0 Ų038.3 Ų38.30%019%0.193CC..EExtended strand (participates in β ladder)trans-119.6126.7-174.3-168.70000109.8V20 G21 V25 K27 L30 L125 N127V20-V93 PolarHBondContact O-N 3.38Å; G21-V93 WeakPolarHBondContact CA-O 3.19Å; V25-V93 HydrophobicContact CB-CG1 4.27Å; V25-V93 HydrophobicContact CG2-CB 3.87Å; V25-V93 HydrophobicContact CG2-CG1 3.79Å; K27-V93 HydrophobicContact CG-CB 4.12Å; K27-V93 HydrophobicContact CG-CG2 4.13Å; L30-V93 HydrophobicContact CD1-CG1 3.81Å; L30-V93 HydrophobicContact CD1-CG2 4.14Å; V93-L125 HydrophobicContact CG1-CB 4.4Å; V93-L125 HydrophobicContact CG2-CB 4.32Å; V93-L125 HydrophobicContact CG2-CD1 4.2Å; V93-N127 HydrophobicContact CG1-CB 3.81Å
94Y98.4Very high96.4Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-117.5166.8162.774-86.4000109.9V96 S101 Y102 I105 L124 L125 G126 N127 V137 F153Y94-V96 HydrophobicContact CE2-CG1 3.93Å; Y94-S101 WeakPolarHBondContact CB-O 3.17Å; Y94-Y102 HydrophobicContact CD1-CD2 4.38Å; Y94-Y102 HydrophobicContact CD2-CD2 4.26Å; Y94-Y102 HydrophobicContact CE1-CD2 4.23Å; Y94-Y102 HydrophobicContact CE2-CD2 4.13Å; Y94-Y102 HydrophobicContact CG-CD2 4.39Å; Y94-I105 HydrophobicContact CD1-CD1 4.48Å; Y94-I105 HydrophobicContact CD1-CG1 4.29Å; Y94-L124 HydrophobicContact CD1-CD1 3.85Å; Y94-L124 HydrophobicContact CD1-CG 4.22Å; Y94-L124 HydrophobicContact CE1-CD1 4.18Å; Y94-L124 HydrophobicContact CE1-CD2 4.15Å; Y94-L124 HydrophobicContact CE1-CG 4.04Å; Y94-L125 VanDerWaalsContact CD1-O 3.3Å; Y94-L125 WeakPolarHBondContact CD1-O 3.12Å; Y94-L125 PolarHBondContact N-O 3.15Å; Y94-G126 VanDerWaalsContact CE1-CA 3.46Å; Y94-G126 VanDerWaalsContact CZ-CA 3.42Å; Y94-N127 WeakPolarHBondContact O-CB 3.48Å; Y94-N127 PolarHBondContact O-N 3.39Å; Y94-V137 HydrophobicContact CE2-CB 3.94Å; Y94-V137 HydrophobicContact CE2-CG1 3.67Å; Y94-V137 HydrophobicContact CE2-CG2 4.28Å; Y94-F153 AromaticContact CE1-CE2 4Å; Y94-F153 HydrophobicContact CE1-CE2 4Å; Y94-F153 WeakPolarHBondContact OH-CE2 3.35Å
95D98.5Very high96.8Very high6 Ų635.9 Ų35.93%0.03219%0.186CC..EExtended strand (participates in β ladder)trans-104124.6175172.93.8000109.6V25 T97 N98 S101 K128V25-D95 HydrophobicContact CB-CB 4.22Å; V25-D95 HydrophobicContact CG1-CB 4.26Å; D95-T97 PolarHBondContact O-N 3.09Å; D95-T97 VanDerWaalsContact O-N 3.11Å; D95-T97 PolarHBondContact OD1-N 2.95Å; D95-T97 PolarHBondContact OD1-OG1 3.43Å; D95-T97 VanDerWaalsContact OD1-OG1 3.07Å; D95-T97 PolarHBondContact OD2-OG1 3.03Å; D95-N98 HydrophobicContact CB-CB 4.01Å; D95-N98 CarbonylContact O-C 3.48Å; D95-N98 PolarHBondContact O-N 2.85Å; D95-N98 VanDerWaalsContact O-O 3.11Å; D95-S101 PolarHBondContact N-OG 3.5Å; D95-S101 PolarHBondContact O-OG 2.94Å; D95-K128 HydrophobicContact CB-CD 4.47Å; D95-K128 WeakPolarHBondContact OD1-CD 3.36Å; D95-K128 WeakPolarHBondContact OD2-CD 3.37Å; D95-K128 WeakPolarHBondContact OD2-CE 3.49Å; D95-K128 IonicContact OD2-NZ 2.72Å; D95-K128 PolarHBondContact OD2-NZ 2.97Å
96V98.9Very high97.2Very high0 Ų029 Ų290%017%0.166CC..THydrogen-bonded Turntrans-63.6-17.9-177.5-57.50000113.5Y94 N127 K128 V136 V137Y94-V96 HydrophobicContact CE2-CG1 3.93Å; V96-N127 WeakPolarHBondContact CG1-O 3.11Å; V96-N127 WeakPolarHBondContact CG2-O 3.2Å; V96-N127 PolarHBondContact N-O 3.38Å; V96-K128 WeakPolarHBondContact CG2-O 3.27Å; V96-V136 PolarHBondContact O-N 3.46Å; V96-V137 PolarHBondContact O-N 2.98Å
97T98.8Very high97.3Very high34 Ų3428.6 Ų28.621%0.20915%0.152CC..THydrogen-bonded Turntrans-94.33.7175.3780000112.8D95 L131 Q134 V136D95-T97 PolarHBondContact O-N 3.09Å; D95-T97 VanDerWaalsContact O-N 3.11Å; D95-T97 PolarHBondContact OD1-N 2.95Å; D95-T97 PolarHBondContact OD1-OG1 3.43Å; D95-T97 VanDerWaalsContact OD1-OG1 3.07Å; D95-T97 PolarHBondContact OD2-OG1 3.03Å; T97-L131 HydrophobicContact CG2-CB 3.57Å; T97-L131 HydrophobicContact CG2-CD1 3.94Å; T97-L131 HydrophobicContact CG2-CG 4.39Å; T97-Q134 WeakPolarHBondContact CA-O 3.45Å; T97-Q134 WeakPolarHBondContact CB-O 3.47Å; T97-Q134 HydrophobicContact CG2-CB 3.75Å; T97-V136 VanDerWaalsContact C-CG2 3.49Å
98N98.3Very high97.2Very high53 Ų5328.2 Ų28.228%0.28315%0.149SC..  trans-130.9102.2-179.4-176-35.9000110.9D95 D100 S101 Y102D95-N98 HydrophobicContact CB-CB 4.01Å; D95-N98 CarbonylContact O-C 3.48Å; D95-N98 PolarHBondContact O-N 2.85Å; D95-N98 VanDerWaalsContact O-O 3.11Å; N98-D100 VanDerWaalsContact C-N 3.34Å; N98-D100 PolarHBondContact O-N 3.22Å; N98-D100 WeakPolarHBondContact OD1-CB 3.44Å; N98-D100 PolarHBondContact OD1-N 2.88Å; N98-D100 VanDerWaalsContact OD1-N 3.1Å; N98-S101 PolarHBondContact O-N 3.3Å; N98-S101 PolarHBondContact O-OG 2.94Å; N98-S101 PolarHBondContact OD1-N 2.96Å; N98-Y102 PolarHBondContact O-N 2.85Å
99L98.6Very high97.1Very high77 Ų7726.3 Ų26.340%0.40314%0.14SC..Hα-helixtrans-63.2-37.4-177.6-176.260.7000112.8S101 Y102 H103 V136 V137L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.09Å; L99-Y102 HydrophobicContact CD1-CD1 4.24Å; L99-Y102 WeakPolarHBondContact O-CB 3.46Å; L99-Y102 PolarHBondContact O-N 3.31Å; L99-H103 WeakPolarHBondContact CG-NE2 3.36Å; L99-H103 PolarHBondContact O-CD2 3.04Å; L99-H103 VanDerWaalsContact O-CD2 3.3Å; L99-H103 PolarHBondContact O-N 2.9Å; L99-V136 HydrophobicContact CB-CG2 3.9Å; L99-V137 HydrophobicContact CD1-CG2 4.07Å
100D97.2Very high96.8Very high109 Ų10930.9 Ų30.958%0.58316%0.164SC*.Hα-helixtrans-62.7-41.6178.2-64.8-37.6000111.1N98 Y102 H103 N104N98-D100 VanDerWaalsContact C-N 3.34Å; N98-D100 PolarHBondContact O-N 3.22Å; N98-D100 WeakPolarHBondContact OD1-CB 3.44Å; N98-D100 PolarHBondContact OD1-N 2.88Å; N98-D100 VanDerWaalsContact OD1-N 3.1Å; D100-Y102 PolarHBondContact O-N 3.35Å; D100-H103 PolarHBondContact O-N 3.48Å; D100-H103 VanDerWaalsContact O-N 3.13Å; D100-N104 WeakPolarHBondContact O-CB 3.18Å; D100-N104 PolarHBondContact O-N 3.16Å; D100-N104 PolarHBondContact O-ND2 3.46Å
101S96.8Very high96.4Very high1 Ų132.3 Ų32.31%0.00717%0.172CC..Hα-helixtrans-61.3-32.6177.9790000112.7D22 Y94 D95 N98 L99D22-S101 WeakPolarHBondContact OD2-CA 3.25Å; Y94-S101 WeakPolarHBondContact CB-O 3.17Å; D95-S101 PolarHBondContact N-OG 3.5Å; D95-S101 PolarHBondContact O-OG 2.94Å; N98-S101 PolarHBondContact O-N 3.3Å; N98-S101 PolarHBondContact O-OG 2.94Å; N98-S101 PolarHBondContact OD1-N 2.96Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.09Å
102Y98.7Very high96.1Very high33 Ų3332.3 Ų32.313%0.12917%0.172CC..Hα-helixtrans-71.1-46.6172.9166.6-97.5000111.5Y94 N98 L99 D100 N104 I105 V137 N141 L145Y94-Y102 HydrophobicContact CD1-CD2 4.38Å; Y94-Y102 HydrophobicContact CD2-CD2 4.26Å; Y94-Y102 HydrophobicContact CE1-CD2 4.23Å; Y94-Y102 HydrophobicContact CE2-CD2 4.13Å; Y94-Y102 HydrophobicContact CG-CD2 4.39Å; N98-Y102 PolarHBondContact O-N 2.85Å; L99-Y102 HydrophobicContact CD1-CD1 4.24Å; L99-Y102 WeakPolarHBondContact O-CB 3.46Å; L99-Y102 PolarHBondContact O-N 3.31Å; D100-Y102 PolarHBondContact O-N 3.35Å; Y102-N104 VanDerWaalsContact C-N 3.25Å; Y102-N104 PolarHBondContact O-N 2.77Å; Y102-I105 VanDerWaalsContact O-CB 3.28Å; Y102-I105 WeakPolarHBondContact O-CB 3.19Å; Y102-I105 WeakPolarHBondContact O-CG1 3.35Å; Y102-I105 PolarHBondContact O-N 3.21Å; Y102-I105 VanDerWaalsContact O-N 3.17Å; Y102-V137 HydrophobicContact CD1-CG1 4.37Å; Y102-V137 HydrophobicContact CD2-CG1 3.7Å; Y102-V137 HydrophobicContact CE2-CG1 4.11Å; Y102-V137 HydrophobicContact CG-CG1 3.84Å; Y102-V137 HydrophobicContact CG-CG2 4.11Å; Y102-N141 HydrophobicContact CE2-CB 4.25Å; Y102-N141 PolarHBondContact OH-O 3.21Å; Y102-L145 HydrophobicContact CD2-CD2 4.08Å; Y102-L145 HydrophobicContact CE2-CB 4.09Å; Y102-L145 HydrophobicContact CE2-CD2 3.5Å; Y102-L145 VanDerWaalsContact CE2-CD2 3.5Å; Y102-L145 HydrophobicContact CE2-CG 4.41Å
103H98.2Very high95.8Very high102 Ų10236.6 Ų36.647%0.47220%0.198SC..Hα-helixtrans-61.5-34.9177.1-72.8-51.2000112.7L99 D100 I105 T106L99-H103 WeakPolarHBondContact CG-NE2 3.36Å; L99-H103 PolarHBondContact O-CD2 3.04Å; L99-H103 VanDerWaalsContact O-CD2 3.3Å; L99-H103 PolarHBondContact O-N 2.9Å; D100-H103 PolarHBondContact O-N 3.48Å; D100-H103 VanDerWaalsContact O-N 3.13Å; H103-I105 PolarHBondContact O-N 2.92Å; H103-T106 PolarHBondContact O-N 2.75Å
104N95.4Very high95.5Very high22 Ų2243.5 Ų43.512%0.11823%0.23CC..THydrogen-bonded Turntrans-72-11.8-180-64.9-29.3000113.5D22 R77 D100 Y102 T106 T107 W108D22-N104 PolarHBondContact OD2-ND2 3.47Å; R77-N104 PolarHBondContact NH1-OD1 3.17Å; R77-N104 PolarHBondContact NH2-ND2 2.89Å; R77-N104 PolarHBondContact NH2-OD1 2.83Å; D100-N104 WeakPolarHBondContact O-CB 3.18Å; D100-N104 PolarHBondContact O-N 3.16Å; D100-N104 PolarHBondContact O-ND2 3.46Å; Y102-N104 VanDerWaalsContact C-N 3.25Å; Y102-N104 PolarHBondContact O-N 2.77Å; N104-T106 PolarHBondContact O-N 3.41Å; N104-T107 WeakPolarHBondContact O-CB 3.24Å; N104-T107 PolarHBondContact O-N 3.27Å; N104-W108 PolarHBondContact O-N 2.92Å
105I96.1Very high95Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-55.5-34.9173.4-67.2-63.6000111.7L92 Y94 Y102 H103 T107 W108 M109 L124 L145L92-I105 HydrophobicContact CB-CD1 4.09Å; L92-I105 HydrophobicContact CD2-CG2 4.12Å; Y94-I105 HydrophobicContact CD1-CD1 4.48Å; Y94-I105 HydrophobicContact CD1-CG1 4.29Å; Y102-I105 VanDerWaalsContact O-CB 3.28Å; Y102-I105 WeakPolarHBondContact O-CB 3.19Å; Y102-I105 WeakPolarHBondContact O-CG1 3.35Å; Y102-I105 PolarHBondContact O-N 3.21Å; Y102-I105 VanDerWaalsContact O-N 3.17Å; H103-I105 PolarHBondContact O-N 2.92Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 2.86Å; I105-W108 PolarHBondContact O-N 3.12Å; I105-M109 WeakPolarHBondContact O-CB 3.4Å; I105-M109 PolarHBondContact O-N 2.97Å; I105-L124 HydrophobicContact CD1-CD1 3.75Å; I105-L124 HydrophobicContact CG1-CD1 3.97Å; I105-L124 HydrophobicContact CG2-CD1 3.82Å; I105-L145 HydrophobicContact CB-CD2 4Å; I105-L145 HydrophobicContact CG2-CD2 3.74Å
106T95.8Very high94.5Very high59 Ų5947 Ų4736%0.36225%0.248SC..Hα-helixtrans-59.7-44.4175.5-55.50000111.5H103 N104 M109 N110 Y149H103-T106 PolarHBondContact O-N 2.75Å; N104-T106 PolarHBondContact O-N 3.41Å; T106-M109 PolarHBondContact O-N 2.95Å; T106-N110 VanDerWaalsContact O-CG 3.24Å; T106-N110 PolarHBondContact O-N 3.23Å; T106-N110 PolarHBondContact O-OD1 3.08Å; T106-Y149 WeakPolarHBondContact CA-OH 3.49Å; T106-Y149 PolarHBondContact OG1-OH 3.33Å
107T92.8Very high93.8Very high50 Ų5053.4 Ų53.431%0.30728%0.282SS..Hα-helixtrans-63.4-44.3175.5-52.70000111.1R77 N104 I105 M109 N110 N111R77-T107 HydrophobicContact CB-CG2 4.43Å; N104-T107 WeakPolarHBondContact O-CB 3.24Å; N104-T107 PolarHBondContact O-N 3.27Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 2.86Å; T107-M109 VanDerWaalsContact C-N 3.32Å; T107-M109 PolarHBondContact O-N 3.03Å; T107-N110 PolarHBondContact O-N 3.2Å; T107-N111 PolarHBondContact O-N 3.43Å; T107-N111 PolarHBondContact O-ND2 3.02Å
108W93.5Very high93Very high0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-60.2-41176.2-71.2111.8000112.5V20 G21 D22 E74 R77 I79 L92 N104 I105 N111 I112V20-W108 HydrophobicContact CB-CE3 4.06Å; V20-W108 HydrophobicContact CB-CZ3 4.4Å; V20-W108 HydrophobicContact CG2-CE3 4.39Å; G21-W108 VanDerWaalsContact C-CE2 3.47Å; G21-W108 VanDerWaalsContact C-CZ2 3.49Å; G21-W108 WeakPolarHBondContact O-CZ2 3.31Å; D22-W108 PolarHBondContact OD1-NE1 3.45Å; E74-W108 HydrophobicContact CB-CH2 3.55Å; E74-W108 HydrophobicContact CB-CZ2 3.7Å; R77-W108 HydrophobicContact CB-CZ2 4.47Å; I79-W108 HydrophobicContact CD1-CE3 4.21Å; I79-W108 HydrophobicContact CD1-CH2 4.25Å; I79-W108 HydrophobicContact CD1-CZ3 3.45Å; I79-W108 VanDerWaalsContact CD1-CZ3 3.45Å; I79-W108 HydrophobicContact CG1-CH2 4.35Å; I79-W108 HydrophobicContact CG1-CZ3 3.79Å; L92-W108 HydrophobicContact CD2-CB 4.07Å; N104-W108 PolarHBondContact O-N 2.92Å; I105-W108 PolarHBondContact O-N 3.12Å; W108-N111 PolarHBondContact O-N 3Å; W108-I112 WeakPolarHBondContact O-CD1 3.33Å; W108-I112 VanDerWaalsContact O-CG1 3.29Å; W108-I112 WeakPolarHBondContact O-CG1 3.49Å; W108-I112 PolarHBondContact O-N 3Å
109M94.1Very high92.4Very high7 Ų759.7 Ų59.73%0.03432%0.317CS..Hα-helixtrans-66.3-41177.9-170.358.472.300112.2L92 I105 T106 T107 I112 T113 K122 Y149 I151L92-M109 HydrophobicContact CD1-CE 3.89Å; L92-M109 HydrophobicContact CD2-CB 4.31Å; L92-M109 HydrophobicContact CD2-CE 3.6Å; L92-M109 HydrophobicContact CD2-SD 4.39Å; L92-M109 HydrophobicContact CG-CE 4.43Å; I105-M109 WeakPolarHBondContact O-CB 3.4Å; I105-M109 PolarHBondContact O-N 2.97Å; T106-M109 PolarHBondContact O-N 2.95Å; T107-M109 VanDerWaalsContact C-N 3.32Å; T107-M109 PolarHBondContact O-N 3.03Å; M109-I112 PolarHBondContact O-N 2.85Å; M109-T113 WeakPolarHBondContact O-CB 3.49Å; M109-T113 PolarHBondContact O-N 2.81Å; M109-T113 PolarHBondContact O-OG1 3.34Å; M109-K122 HydrophobicContact SD-CD 4.01Å; M109-Y149 HydrophobicContact CB-CE1 4.22Å; M109-Y149 HydrophobicContact CB-CE2 4.35Å; M109-Y149 HydrophobicContact CE-CD1 4.45Å; M109-Y149 HydrophobicContact CE-CD2 3.88Å; M109-Y149 HydrophobicContact CE-CE2 4.37Å; M109-Y149 HydrophobicContact CE-CG 3.92Å; M109-Y149 HydrophobicContact CG-CD1 3.76Å; M109-Y149 HydrophobicContact CG-CD2 4.4Å; M109-Y149 HydrophobicContact CG-CE1 3.64Å; M109-Y149 HydrophobicContact CG-CE2 4.27Å; M109-Y149 HydrophobicContact CG-CG 4.16Å; M109-I151 HydrophobicContact CE-CD1 3.6Å
110N92.3Very high92.2Very high95 Ų9556.7 Ų56.751%0.50830%0.301SS..Hα-helixtrans-60.9-47.2175.5-69.2-10.8000110.7T106 T107 I112 T113 E114T106-N110 VanDerWaalsContact O-CG 3.24Å; T106-N110 PolarHBondContact O-N 3.23Å; T106-N110 PolarHBondContact O-OD1 3.08Å; T107-N110 PolarHBondContact O-N 3.2Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 2.82Å; N110-T113 PolarHBondContact O-N 2.9Å; N110-T113 VanDerWaalsContact O-N 3.12Å; N110-E114 PolarHBondContact O-N 2.97Å
111N89.4Confident92.2Very high30 Ų3052.1 Ų52.116%0.1628%0.279CS..Hα-helixtrans-59.8-40.6176.4-71.4-25.9000112.5R77 T107 W108 H115R77-N111 PolarHBondContact O-ND2 2.85Å; T107-N111 PolarHBondContact O-N 3.43Å; T107-N111 PolarHBondContact O-ND2 3.02Å; W108-N111 PolarHBondContact O-N 3Å; N111-H115 WeakPolarHBondContact O-CB 3.43Å; N111-H115 PolarHBondContact O-N 3.39Å; N111-H115 PolarHBondContact O-ND1 2.84Å
112I91.6Very high92.3Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-62.7-46.2175.1-71.1159.2000110.4V20 Y84 I90 L92 W108 M109 N110 E114 H115 T116 K122V20-I112 HydrophobicContact CG2-CD1 3.99Å; Y84-I112 HydrophobicContact CE1-CB 4.48Å; Y84-I112 HydrophobicContact CE1-CG1 3.74Å; I90-I112 HydrophobicContact CD1-CG1 4.11Å; I90-I112 HydrophobicContact CD1-CG2 3.84Å; I90-I112 HydrophobicContact CG2-CD1 3.72Å; I90-I112 HydrophobicContact CG2-CG1 4.22Å; L92-I112 HydrophobicContact CD1-CD1 3.75Å; L92-I112 HydrophobicContact CD2-CD1 3.59Å; L92-I112 HydrophobicContact CG-CD1 3.59Å; W108-I112 WeakPolarHBondContact O-CD1 3.33Å; W108-I112 VanDerWaalsContact O-CG1 3.29Å; W108-I112 WeakPolarHBondContact O-CG1 3.49Å; W108-I112 PolarHBondContact O-N 3Å; M109-I112 PolarHBondContact O-N 2.85Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 2.82Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 3.36Å; I112-H115 PolarHBondContact O-N 2.64Å; I112-T116 HydrophobicContact CG2-CG2 4.21Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.39Å; I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 WeakPolarHBondContact O-CG2 3.41Å; I112-T116 PolarHBondContact O-N 3.18Å; I112-T116 PolarHBondContact O-OG1 3.3Å; I112-K122 HydrophobicContact CG2-CD 4.01Å
113T91.2Very high92.3Very high91 Ų9152.2 Ų52.256%0.55828%0.28SS*.Hα-helixtrans-64.1-37.6-176.8-56.10000111.3M109 N110M109-T113 WeakPolarHBondContact O-CB 3.49Å; M109-T113 PolarHBondContact O-N 2.81Å; M109-T113 PolarHBondContact O-OG1 3.34Å; N110-T113 PolarHBondContact O-N 2.9Å; N110-T113 VanDerWaalsContact O-N 3.12Å
114E90.2Very high92.3Very high144 Ų14447.4 Ų47.467%0.67326%0.257SS*.Hα-helixtrans-68.5-32.3177-174.6177.8-169.500113.2N110 I112N110-E114 PolarHBondContact O-N 2.97Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 3.36Å
115H88.3Confident92.5Very high62 Ų6246.4 Ų46.429%0.28725%0.252SS..Hα-helixtrans-113.53.8-169.2-59.7101.6000114.9T81 Y84 N111 I112T81-H115 WeakPolarHBondContact CG2-CD2 3.47Å; T81-H115 VanDerWaalsContact CG2-NE2 3.35Å; T81-H115 WeakPolarHBondContact CG2-NE2 3.39Å; Y84-H115 WeakPolarHBondContact CB-O 3.36Å; Y84-H115 HydrophobicContact CD2-CB 3.47Å; Y84-H115 VanDerWaalsContact CD2-CB 3.47Å; Y84-H115 HydrophobicContact CE2-CB 4.08Å; Y84-H115 HydrophobicContact CG-CB 3.76Å; N111-H115 WeakPolarHBondContact O-CB 3.43Å; N111-H115 PolarHBondContact O-N 3.39Å; N111-H115 PolarHBondContact O-ND1 2.84Å; I112-H115 PolarHBondContact O-N 2.64Å
116T89.1Confident92.6Very high19 Ų1946.4 Ų46.412%0.11725%0.252CS..SBendtrans-133.9153.518068.20000112.4Y84 I90 I112 V120Y84-T116 HydrophobicContact CD1-CG2 3.69Å; Y84-T116 HydrophobicContact CG-CG2 4.06Å; I90-T116 HydrophobicContact CD1-CG2 3.81Å; I112-T116 HydrophobicContact CG2-CG2 4.21Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.39Å; I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 WeakPolarHBondContact O-CG2 3.41Å; I112-T116 PolarHBondContact O-N 3.18Å; I112-T116 PolarHBondContact O-OG1 3.3Å; T116-V120 HydrophobicContact CG2-CG2 4.26Å
117N82.9Confident92.8Very high133 Ų13343.7 Ų43.771%0.71124%0.235SC*.  trans-73.9159.1173.1-58.5-7.1000110.4G119 V120N117-G119 PolarHBondContact O-N 2.89Å; N117-V120 PolarHBondContact O-N 3.25Å; N117-V120 VanDerWaalsContact O-N 3.09Å
118E81.9Confident93Very high186 Ų18643.7 Ų43.787%0.86923%0.231SC*.THydrogen-bonded Turntrans-56-18.7170.2-62.3-175.3174.100112.8V120 K178E118-V120 PolarHBondContact O-N 2.91Å; E118-K178 PolarHBondContact O-NZ 3.04Å
119G86.6Confident93.3Very high34 Ų3444.6 Ų44.635%0.35124%0.237SC..THydrogen-bonded Turntrans-50.2-33.4170.400000115.4N117 A121 K178N117-G119 PolarHBondContact O-N 2.89Å; G119-A121 PolarHBondContact O-N 3Å; G119-K178 VanDerWaalsContact O-CD 3.24Å; G119-K178 WeakPolarHBondContact O-CD 3.43Å; G119-K178 WeakPolarHBondContact O-CE 3.45Å; G119-K178 PolarHBondContact O-NZ 3.08Å
120V94.9Very high93.5Very high13 Ų1346.6 Ų46.68%0.07925%0.248CC..  trans-77.9124.3-166.5-175.50000112.4A87 I90 T116 N117 E118 K122A87-V120 WeakPolarHBondContact O-CG2 3.41Å; I90-V120 HydrophobicContact CB-CG1 4.47Å; I90-V120 HydrophobicContact CD1-CG1 3.83Å; I90-V120 HydrophobicContact CG1-CG1 3.7Å; T116-V120 HydrophobicContact CG2-CG2 4.26Å; N117-V120 PolarHBondContact O-N 3.25Å; N117-V120 VanDerWaalsContact O-N 3.09Å; E118-V120 PolarHBondContact O-N 2.91Å; V120-K122 PolarHBondContact O-NZ 2.95Å
121A97.4Very high93.8Very high13 Ų1344 Ų4411%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-69.7137.5173.500000110.3M88 G89 I90 G119 L171 K174 I175M88-A121 PolarHBondContact O-N 3.29Å; G89-A121 CarbonylContact C-O 3.56Å; G89-A121 WeakPolarHBondContact CA-O 3.48Å; I90-A121 PolarHBondContact N-O 3.29Å; G119-A121 PolarHBondContact O-N 3Å; A121-L171 HydrophobicContact CB-CD1 3.76Å; A121-K174 HydrophobicContact CB-CB 4.24Å; A121-I175 HydrophobicContact CB-CG1 3.77Å
122K97.9Very high94.2Very high35 Ų3548 Ų4815%0.15225%0.251CS..EExtended strand (participates in β ladder)trans-129.5146.4-174.4-62.3173.4-168.277.40110.7I90 L92 M109 I112 V120 I151I90-K122 WeakPolarHBondContact O-CA 3.29Å; L92-K122 HydrophobicContact CD1-CB 4.5Å; M109-K122 HydrophobicContact SD-CD 4.01Å; I112-K122 HydrophobicContact CG2-CD 4.01Å; V120-K122 PolarHBondContact O-NZ 2.95Å; K122-I151 HydrophobicContact CB-CB 4.24Å; K122-I151 HydrophobicContact CB-CG2 3.59Å; K122-I151 HydrophobicContact CD-CG2 4.47Å
123M98.5Very high94.5Very high2 Ų253.2 Ų53.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-145.1137.6176.2178.8174.8-118.200110.3I90 M91 L92 L125 S152 I154 A167 I170 L171I90-M123 PolarHBondContact O-N 2.92Å; M91-M123 CarbonylContact C-O 3.48Å; M91-M123 WeakPolarHBondContact CA-O 3.33Å; L92-M123 PolarHBondContact N-O 2.84Å; M123-L125 HydrophobicContact CG-CD2 3.82Å; M123-L125 HydrophobicContact SD-CD2 3.78Å; M123-S152 CarbonylContact C-O 3.54Å; M123-S152 WeakPolarHBondContact CA-O 3.29Å; M123-I154 HydrophobicContact CE-CB 4.43Å; M123-I154 HydrophobicContact CE-CG2 3.77Å; M123-I154 HydrophobicContact SD-CG2 4.04Å; M123-A167 HydrophobicContact SD-CB 4.23Å; M123-I170 HydrophobicContact CE-CB 3.75Å; M123-I170 HydrophobicContact CE-CD1 4.07Å; M123-I170 HydrophobicContact CE-CG2 3.4Å; M123-L171 HydrophobicContact CB-CD1 4.28Å
124L98.9Very high94.8Very high0 Ų054.5 Ų54.50%030%0.295CS..EExtended strand (participates in β ladder)trans-96.4132.1172.3-17763.9000110L92 Y94 I105 G142 L145 A146 I151 S152 F153 I154L92-L124 HydrophobicContact CB-CD1 4.02Å; L92-L124 CarbonylContact O-C 3.27Å; L92-L124 WeakPolarHBondContact O-CA 3.43Å; Y94-L124 HydrophobicContact CD1-CD1 3.85Å; Y94-L124 HydrophobicContact CD1-CG 4.22Å; Y94-L124 HydrophobicContact CE1-CD1 4.18Å; Y94-L124 HydrophobicContact CE1-CD2 4.15Å; Y94-L124 HydrophobicContact CE1-CG 4.04Å; I105-L124 HydrophobicContact CD1-CD1 3.75Å; I105-L124 HydrophobicContact CG1-CD1 3.97Å; I105-L124 HydrophobicContact CG2-CD1 3.82Å; L124-G142 WeakPolarHBondContact CD2-O 3.43Å; L124-L145 HydrophobicContact CD2-CB 4.26Å; L124-L145 HydrophobicContact CD2-CD2 4.06Å; L124-L145 HydrophobicContact CD2-CG 4.3Å; L124-A146 HydrophobicContact CB-CB 4.25Å; L124-A146 HydrophobicContact CD2-CB 4.15Å; L124-I151 HydrophobicContact CB-CD1 3.87Å; L124-I151 HydrophobicContact CB-CG1 4.48Å; L124-S152 PolarHBondContact N-O 3.36Å; L124-F153 HydrophobicContact CB-CD2 4.15Å; L124-F153 HydrophobicContact CD2-CD2 4.03Å; L124-F153 HydrophobicContact CD2-CE2 4.43Å; L124-F153 HydrophobicContact CG-CD2 4Å; L124-F153 HydrophobicContact CG-CE2 4.43Å; L124-F153 WeakPolarHBondContact O-CA 3.48Å; L124-F153 WeakPolarHBondContact O-CD2 3.29Å; L124-I154 PolarHBondContact O-N 2.93Å
125L98.9Very high95.3Very high1 Ų150 Ų501%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-117.3121.3176.6-55.2-173.5000110.5L30 M91 L92 V93 Y94 M123 I154 T156 A167L30-L125 HydrophobicContact CD1-CD1 4.12Å; M91-L125 HydrophobicContact CB-CD1 4.13Å; M91-L125 HydrophobicContact CB-CG 4.47Å; M91-L125 HydrophobicContact CG-CD1 4.37Å; M91-L125 HydrophobicContact SD-CD1 3.88Å; L92-L125 PolarHBondContact O-N 3.15Å; V93-L125 HydrophobicContact CG1-CB 4.4Å; V93-L125 HydrophobicContact CG2-CB 4.32Å; V93-L125 HydrophobicContact CG2-CD1 4.2Å; Y94-L125 VanDerWaalsContact CD1-O 3.3Å; Y94-L125 WeakPolarHBondContact CD1-O 3.12Å; Y94-L125 PolarHBondContact N-O 3.15Å; M123-L125 HydrophobicContact CG-CD2 3.82Å; M123-L125 HydrophobicContact SD-CD2 3.78Å; L125-I154 WeakPolarHBondContact CA-O 3.18Å; L125-I154 HydrophobicContact CD2-CG2 3.34Å; L125-T156 HydrophobicContact CD2-CG2 4.28Å; L125-A167 HydrophobicContact CD1-CB 4.39Å; L125-A167 HydrophobicContact CD2-CB 3.82Å
126G98.9Very high95.8Very high0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-89.595.9164.200000109.6Y94 I154 E155 T156Y94-G126 VanDerWaalsContact CE1-CA 3.46Å; Y94-G126 VanDerWaalsContact CZ-CA 3.42Å; G126-I154 PolarHBondContact N-O 3.29Å; G126-E155 CarbonylContact O-C 3.56Å; G126-E155 WeakPolarHBondContact O-CA 3.18Å; G126-E155 WeakPolarHBondContact O-CB 3.2Å; G126-T156 PolarHBondContact O-N 2.81Å
127N98.9Very high96.2Very high2 Ų250 Ų501%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-85.7165-176.1-170.933.9000112.3V25 L30 V93 Y94 V96 T156 A158V25-N127 PolarHBondContact O-ND2 3.4Å; L30-N127 HydrophobicContact CD1-CB 4.26Å; V93-N127 HydrophobicContact CG1-CB 3.81Å; Y94-N127 WeakPolarHBondContact O-CB 3.48Å; Y94-N127 PolarHBondContact O-N 3.39Å; V96-N127 WeakPolarHBondContact CG1-O 3.11Å; V96-N127 WeakPolarHBondContact CG2-O 3.2Å; V96-N127 PolarHBondContact N-O 3.38Å; N127-T156 CarbonylContact C-O 3.47Å; N127-T156 VanDerWaalsContact C-O 3.32Å; N127-T156 VanDerWaalsContact CA-O 3.24Å; N127-T156 WeakPolarHBondContact CA-O 3.38Å; N127-T156 PolarHBondContact OD1-O 2.84Å; N127-T156 PolarHBondContact OD1-OG1 3Å; N127-A158 PolarHBondContact OD1-N 3.24Å
128K98.5Very high97Very high51 Ų5150 Ų5022%0.22227%0.269CS..  trans65.832.3-178.3-44.8-168.7-162.9164.20113.6S24 D95 V96 D130 L131 T156S24-K128 WeakPolarHBondContact O-CE 3.49Å; S24-K128 PolarHBondContact O-NZ 2.93Å; D95-K128 HydrophobicContact CB-CD 4.47Å; D95-K128 WeakPolarHBondContact OD1-CD 3.36Å; D95-K128 WeakPolarHBondContact OD2-CD 3.37Å; D95-K128 WeakPolarHBondContact OD2-CE 3.49Å; D95-K128 IonicContact OD2-NZ 2.72Å; D95-K128 PolarHBondContact OD2-NZ 2.97Å; V96-K128 WeakPolarHBondContact CG2-O 3.27Å; K128-D130 PolarHBondContact O-N 3.08Å; K128-L131 HydrophobicContact CB-CD1 4.07Å; K128-L131 HydrophobicContact CB-CG 4.37Å; K128-L131 HydrophobicContact CD-CD1 4.21Å; K128-L131 WeakPolarHBondContact O-CB 3.5Å; K128-L131 PolarHBondContact O-N 3.33Å; K128-T156 PolarHBondContact N-O 3.43Å
129C98.7Very high97.8Very high18 Ų1846.2 Ų46.212%0.12225%0.248CC..THydrogen-bonded Turntrans-63.4-9.517667.90000114.3L131 E155 T156C129-L131 PolarHBondContact O-N 3.19Å; C129-E155 HydrophobicContact CB-CB 4.03Å; C129-E155 WeakPolarHBondContact CB-OE2 3.41Å; C129-T156 PolarHBondContact N-O 3.24Å; C129-T156 VanDerWaalsContact N-O 3.14Å; C129-T156 PolarHBondContact SG-O 2.62Å
130D98.4Very high98.4Very high50 Ų5049.4 Ų49.427%0.26725%0.253SS..THydrogen-bonded Turntrans-69.7-14.2169.364.9-70.8000113.5K128 E132 S157 K159K128-D130 PolarHBondContact O-N 3.08Å; D130-E132 VanDerWaalsContact C-N 3.34Å; D130-E132 PolarHBondContact O-N 2.96Å; D130-S157 WeakPolarHBondContact CB-OG 3.49Å; D130-S157 WeakPolarHBondContact OD1-CB 3.27Å; D130-S157 PolarHBondContact OD1-OG 2.78Å; D130-K159 WeakPolarHBondContact OD2-CD 3.37Å; D130-K159 IonicContact OD2-NZ 2.77Å; D130-K159 PolarHBondContact OD2-NZ 2.86Å
131L98.1Very high98.5Very high41 Ų4151.6 Ų51.622%0.21527%0.265CS..  trans-95.747.2-178.9-57.9-178.5000112.1T97 K128 C129 A133 Q134 R135T97-L131 HydrophobicContact CG2-CB 3.57Å; T97-L131 HydrophobicContact CG2-CD1 3.94Å; T97-L131 HydrophobicContact CG2-CG 4.39Å; K128-L131 HydrophobicContact CB-CD1 4.07Å; K128-L131 HydrophobicContact CB-CG 4.37Å; K128-L131 HydrophobicContact CD-CD1 4.21Å; K128-L131 WeakPolarHBondContact O-CB 3.5Å; K128-L131 PolarHBondContact O-N 3.33Å; C129-L131 PolarHBondContact O-N 3.19Å; L131-A133 VanDerWaalsContact C-N 3.28Å; L131-A133 PolarHBondContact O-N 3.26Å; L131-Q134 HydrophobicContact CB-CB 4.37Å; L131-Q134 CarbonylContact O-C 3.46Å; L131-Q134 WeakPolarHBondContact O-CA 3.29Å; L131-Q134 PolarHBondContact O-N 2.86Å; L131-R135 PolarHBondContact O-N 2.91Å
132E98Very high98.6Very high112 Ų11251 Ų5152%0.52326%0.26SS..G310 helixtrans-55.4-39.4-172.8-167.258.6-145.100113.4D130 Q134 R135D130-E132 VanDerWaalsContact C-N 3.34Å; D130-E132 PolarHBondContact O-N 2.96Å; E132-Q134 PolarHBondContact O-N 2.98Å; E132-Q134 VanDerWaalsContact O-N 3.15Å; E132-R135 VanDerWaalsContact O-CB 3.25Å; E132-R135 WeakPolarHBondContact O-CB 3.5Å; E132-R135 PolarHBondContact O-N 3.45Å; E132-R135 VanDerWaalsContact O-N 3.1Å; E132-R135 WeakPolarHBondContact OE1-CD 3.24Å; E132-R135 IonicContact OE1-CZ 3Å; E132-R135 IonicContact OE1-NE 2.78Å; E132-R135 PolarHBondContact OE1-NE 3.23Å; E132-R135 IonicContact OE2-CZ 3.91Å; E132-R135 VanDerWaalsContact OE2-CZ 3.27Å; E132-R135 IonicContact OE2-NE 3.47Å; E132-R135 PolarHBondContact OE2-NE 3.33Å; E132-R135 IonicContact OE2-NH2 3.32Å; E132-R135 PolarHBondContact OE2-NH2 2.97Å
133A98.4Very high98.6Very high110 Ų11053.4 Ų53.491%0.90927%0.27SS*.G310 helixtrans-65.1-16.9177.400000114.3L131L131-A133 VanDerWaalsContact C-N 3.28Å; L131-A133 PolarHBondContact O-N 3.26Å
134Q98.6Very high98.7Very high119 Ų11959.9 Ų59.956%0.55630%0.298SS*.G310 helixtrans-108.63.1178.6-61173.241.100112T97 L131 E132 V136T97-Q134 WeakPolarHBondContact CA-O 3.45Å; T97-Q134 WeakPolarHBondContact CB-O 3.47Å; T97-Q134 HydrophobicContact CG2-CB 3.75Å; L131-Q134 HydrophobicContact CB-CB 4.37Å; L131-Q134 CarbonylContact O-C 3.46Å; L131-Q134 WeakPolarHBondContact O-CA 3.29Å; L131-Q134 PolarHBondContact O-N 2.86Å; E132-Q134 PolarHBondContact O-N 2.98Å; E132-Q134 VanDerWaalsContact O-N 3.15Å; Q134-V136 PolarHBondContact O-N 3.35Å
135R98.7Very high98.6Very high48 Ų4860.9 Ų60.918%0.18130%0.304CS..  trans-62128.4-177.7178.7-175.6-69.3-86.66.1110.4L131 E132 V137 E155L131-R135 PolarHBondContact O-N 2.91Å; E132-R135 VanDerWaalsContact O-CB 3.25Å; E132-R135 WeakPolarHBondContact O-CB 3.5Å; E132-R135 PolarHBondContact O-N 3.45Å; E132-R135 VanDerWaalsContact O-N 3.1Å; E132-R135 WeakPolarHBondContact OE1-CD 3.24Å; E132-R135 IonicContact OE1-CZ 3Å; E132-R135 IonicContact OE1-NE 2.78Å; E132-R135 PolarHBondContact OE1-NE 3.23Å; E132-R135 IonicContact OE2-CZ 3.91Å; E132-R135 VanDerWaalsContact OE2-CZ 3.27Å; E132-R135 IonicContact OE2-NE 3.47Å; E132-R135 PolarHBondContact OE2-NE 3.33Å; E132-R135 IonicContact OE2-NH2 3.32Å; E132-R135 PolarHBondContact OE2-NH2 2.97Å; R135-V137 WeakPolarHBondContact CD-O 3.48Å; R135-V137 WeakPolarHBondContact CG-O 3.48Å; R135-V137 PolarHBondContact NH1-O 2.98Å; R135-E155 IonicContact CZ-OE1 2.96Å; R135-E155 IonicContact CZ-OE2 3.97Å; R135-E155 IonicContact NH1-OE1 2.82Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 3.27Å; R135-E155 PolarHBondContact NH1-OE2 2.81Å; R135-E155 IonicContact NH2-OE1 2.66Å; R135-E155 IonicContact NH2-OE2 2.85Å; R135-E155 PolarHBondContact NH2-OE2 2.55Å
136V98.8Very high98.6Very high81 Ų8161 Ų6149%0.49130%0.304SS..  trans-117.3-16.1171.5-590000112.2V96 T97 L99 Q134V96-V136 PolarHBondContact O-N 3.46Å; T97-V136 VanDerWaalsContact C-CG2 3.49Å; L99-V136 HydrophobicContact CB-CG2 3.9Å; Q134-V136 PolarHBondContact O-N 3.35Å
137V98.8Very high98.6Very high0 Ų066.8 Ų66.80%033%0.332CS..SBendtrans-108.3112.6173.7-172.10000109.4Y94 V96 L99 Y102 R135 N141Y94-V137 HydrophobicContact CE2-CB 3.94Å; Y94-V137 HydrophobicContact CE2-CG1 3.67Å; Y94-V137 HydrophobicContact CE2-CG2 4.28Å; V96-V137 PolarHBondContact O-N 2.98Å; L99-V137 HydrophobicContact CD1-CG2 4.07Å; Y102-V137 HydrophobicContact CD1-CG1 4.37Å; Y102-V137 HydrophobicContact CD2-CG1 3.7Å; Y102-V137 HydrophobicContact CE2-CG1 4.11Å; Y102-V137 HydrophobicContact CG-CG1 3.84Å; Y102-V137 HydrophobicContact CG-CG2 4.11Å; R135-V137 WeakPolarHBondContact CD-O 3.48Å; R135-V137 WeakPolarHBondContact CG-O 3.48Å; R135-V137 PolarHBondContact NH1-O 2.98Å; V137-N141 HydrophobicContact CG1-CB 4.01Å
138K98.8Very high98.6Very high135 Ų13570.8 Ų70.859%0.58736%0.36SS*.  trans-67151.2176.1-60.8-174.8178-177.90111.4E140 N141K138-E140 WeakPolarHBondContact CB-OE2 3.5Å; K138-E140 PolarHBondContact O-N 3.4Å; K138-N141 WeakPolarHBondContact O-CB 3.46Å; K138-N141 PolarHBondContact O-N 3.39Å
139Y98.8Very high98.5Very high105 Ų10571.8 Ų71.841%0.41236%0.363SS..Hα-helixtrans-52.9-42.7176.9-179.8-86.7000111.7N141 G142 F143 F153 E155Y139-N141 PolarHBondContact O-N 2.92Å; Y139-G142 PolarHBondContact O-N 3.49Å; Y139-F143 HydrophobicContact CD1-CB 4.43Å; Y139-F143 HydrophobicContact CE1-CB 4.16Å; Y139-F143 HydrophobicContact CE1-CD2 4.48Å; Y139-F143 HydrophobicContact CE1-CG 4.48Å; Y139-F143 WeakPolarHBondContact O-CB 3.41Å; Y139-F143 PolarHBondContact O-N 3.3Å; Y139-F153 HydrophobicContact CD1-CE1 4.4Å; Y139-F153 AromaticContact CD2-CE1 3.82Å; Y139-F153 HydrophobicContact CD2-CE1 3.82Å; Y139-F153 HydrophobicContact CD2-CZ 4.45Å; Y139-F153 HydrophobicContact CE1-CE1 4.21Å; Y139-F153 HydrophobicContact CE2-CD1 4.23Å; Y139-F153 AromaticContact CE2-CE1 3.61Å; Y139-F153 HydrophobicContact CE2-CE1 3.61Å; Y139-F153 HydrophobicContact CE2-CZ 4.5Å; Y139-F153 HydrophobicContact CG-CE1 4.2Å; Y139-F153 AromaticContact CZ-CE1 3.81Å; Y139-F153 WeakPolarHBondContact O-CE1 3.07Å; Y139-E155 HydrophobicContact CD2-CG 3.79Å; Y139-E155 HydrophobicContact CE2-CG 4.1Å
140E98.7Very high98.4Very high101 Ų10174.1 Ų74.147%0.47239%0.39SS..Hα-helixtrans-63.9-28-177.9-59.774.1-157.700112.6K138 K144K138-E140 WeakPolarHBondContact CB-OE2 3.5Å; K138-E140 PolarHBondContact O-N 3.4Å; E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.45Å; E140-K144 PolarHBondContact O-N 2.67Å
141N98.7Very high98.4Very high59 Ų5972.9 Ų72.932%0.31638%0.383SS..Hα-helixtrans-68.9-49.8177.5-66.3-14.8000110.3Y102 V137 K138 Y139 F143 K144 L145Y102-N141 HydrophobicContact CE2-CB 4.25Å; Y102-N141 PolarHBondContact OH-O 3.21Å; V137-N141 HydrophobicContact CG1-CB 4.01Å; K138-N141 WeakPolarHBondContact O-CB 3.46Å; K138-N141 PolarHBondContact O-N 3.39Å; Y139-N141 PolarHBondContact O-N 2.92Å; N141-F143 VanDerWaalsContact C-N 3.33Å; N141-F143 PolarHBondContact O-N 3.47Å; N141-K144 PolarHBondContact O-N 3.32Å; N141-L145 WeakPolarHBondContact O-CB 3.5Å; N141-L145 PolarHBondContact O-N 2.72Å
142G98.8Very high98.3Very high0 Ų072.2 Ų72.20%038%0.381CS..Hα-helixtrans-60.2-42.9175.400000112.2L124 Y139 L145 A146L124-G142 WeakPolarHBondContact CD2-O 3.43Å; Y139-G142 PolarHBondContact O-N 3.49Å; G142-L145 PolarHBondContact O-N 3.24Å; G142-A146 WeakPolarHBondContact O-CB 3.28Å; G142-A146 PolarHBondContact O-N 3.26Å
143F98.7Very high98.4Very high87 Ų8768.1 Ų68.138%0.38236%0.362SS..Hα-helixtrans-62-48.5176.9-178.3-101.1000112.7Y139 N141 L145 A146 Q147 F153Y139-F143 HydrophobicContact CD1-CB 4.43Å; Y139-F143 HydrophobicContact CE1-CB 4.16Å; Y139-F143 HydrophobicContact CE1-CD2 4.48Å; Y139-F143 HydrophobicContact CE1-CG 4.48Å; Y139-F143 WeakPolarHBondContact O-CB 3.41Å; Y139-F143 PolarHBondContact O-N 3.3Å; N141-F143 VanDerWaalsContact C-N 3.33Å; N141-F143 PolarHBondContact O-N 3.47Å; F143-L145 PolarHBondContact O-N 3.2Å; F143-A146 PolarHBondContact O-N 3.37Å; F143-Q147 HydrophobicContact CE1-CG 4.21Å; F143-Q147 HydrophobicContact CZ-CG 4.34Å; F143-Q147 PolarHBondContact O-N 3.14Å; F143-F153 HydrophobicContact CB-CD1 3.77Å; F143-F153 HydrophobicContact CB-CE1 4.08Å; F143-F153 HydrophobicContact CD2-CD1 4.21Å
144K98.8Very high98.4Very high137 Ų13763.6 Ų63.660%0.59632%0.323SS*.Hα-helixtrans-63.1-40.7177-76174.1-179179.80112E140 N141 Q147 S148E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.45Å; E140-K144 PolarHBondContact O-N 2.67Å; N141-K144 PolarHBondContact O-N 3.32Å; K144-Q147 PolarHBondContact O-N 2.9Å; K144-S148 PolarHBondContact O-N 2.78Å
145L98.7Very high98.4Very high22 Ų2258.7 Ų58.712%0.11530%0.3CS..Hα-helixtrans-61.2-47.1176.9-174.363.2000110.9Y102 I105 L124 N141 G142 F143 Q147 S148 Y149Y102-L145 HydrophobicContact CD2-CD2 4.08Å; Y102-L145 HydrophobicContact CE2-CB 4.09Å; Y102-L145 HydrophobicContact CE2-CD2 3.5Å; Y102-L145 VanDerWaalsContact CE2-CD2 3.5Å; Y102-L145 HydrophobicContact CE2-CG 4.41Å; I105-L145 HydrophobicContact CB-CD2 4Å; I105-L145 HydrophobicContact CG2-CD2 3.74Å; L124-L145 HydrophobicContact CD2-CB 4.26Å; L124-L145 HydrophobicContact CD2-CD2 4.06Å; L124-L145 HydrophobicContact CD2-CG 4.3Å; N141-L145 WeakPolarHBondContact O-CB 3.5Å; N141-L145 PolarHBondContact O-N 2.72Å; G142-L145 PolarHBondContact O-N 3.24Å; F143-L145 PolarHBondContact O-N 3.2Å; L145-Q147 PolarHBondContact O-N 3.24Å; L145-S148 PolarHBondContact O-N 2.96Å; L145-S148 PolarHBondContact O-OG 3.04Å; L145-Y149 HydrophobicContact CD1-CD2 4.24Å; L145-Y149 HydrophobicContact CD1-CE2 3.57Å; L145-Y149 HydrophobicContact CG-CD2 4.21Å; L145-Y149 HydrophobicContact CG-CE2 3.87Å; L145-Y149 VanDerWaalsContact O-CD2 3.29Å; L145-Y149 WeakPolarHBondContact O-CD2 3.38Å; L145-Y149 PolarHBondContact O-N 2.98Å
146A98.7Very high98.4Very high2 Ų256.4 Ų56.42%0.01729%0.291CS..Hα-helixtrans-63-39.5176.900000113.2L124 G142 F143 S148 Y149 G150 I151 F153L124-A146 HydrophobicContact CB-CB 4.25Å; L124-A146 HydrophobicContact CD2-CB 4.15Å; G142-A146 WeakPolarHBondContact O-CB 3.28Å; G142-A146 PolarHBondContact O-N 3.26Å; F143-A146 PolarHBondContact O-N 3.37Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 2.81Å; A146-Y149 CarbonylContact O-C 3.32Å; A146-Y149 PolarHBondContact O-N 2.77Å; A146-G150 PolarHBondContact O-N 3.42Å; A146-I151 HydrophobicContact CB-CG1 3.86Å; A146-I151 PolarHBondContact O-N 3.12Å; A146-F153 HydrophobicContact CB-CB 3.54Å; A146-F153 HydrophobicContact CB-CG 4.37Å
147Q98.5Very high98.4Very high123 Ų12352.6 Ų52.658%0.57527%0.268SS*.Hα-helixtrans-59.6-43.1173-82.2-166.8-7.700111.8F143 K144 L145 Y149 G150F143-Q147 HydrophobicContact CE1-CG 4.21Å; F143-Q147 HydrophobicContact CZ-CG 4.34Å; F143-Q147 PolarHBondContact O-N 3.14Å; K144-Q147 PolarHBondContact O-N 2.9Å; L145-Q147 PolarHBondContact O-N 3.24Å; Q147-Y149 PolarHBondContact O-N 2.81Å; Q147-G150 PolarHBondContact O-N 2.82Å
148S98.1Very high98.4Very high86 Ų8652.7 Ų52.760%0.60127%0.269SS*.Hα-helixtrans-60.9-28.3179.577.60000113.2K144 L145 A146K144-S148 PolarHBondContact O-N 2.78Å; L145-S148 PolarHBondContact O-N 2.96Å; L145-S148 PolarHBondContact O-OG 3.04Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 2.81Å
149Y96.8Very high98.3Very high72 Ų7250.9 Ų50.928%0.28226%0.261SS..THydrogen-bonded Turntrans-94.2-4173.9-65.9-55.3000114.4T106 M109 L145 A146 Q147 I151T106-Y149 WeakPolarHBondContact CA-OH 3.49Å; T106-Y149 PolarHBondContact OG1-OH 3.33Å; M109-Y149 HydrophobicContact CB-CE1 4.22Å; M109-Y149 HydrophobicContact CB-CE2 4.35Å; M109-Y149 HydrophobicContact CE-CD1 4.45Å; M109-Y149 HydrophobicContact CE-CD2 3.88Å; M109-Y149 HydrophobicContact CE-CE2 4.37Å; M109-Y149 HydrophobicContact CE-CG 3.92Å; M109-Y149 HydrophobicContact CG-CD1 3.76Å; M109-Y149 HydrophobicContact CG-CD2 4.4Å; M109-Y149 HydrophobicContact CG-CE1 3.64Å; M109-Y149 HydrophobicContact CG-CE2 4.27Å; M109-Y149 HydrophobicContact CG-CG 4.16Å; L145-Y149 HydrophobicContact CD1-CD2 4.24Å; L145-Y149 HydrophobicContact CD1-CE2 3.57Å; L145-Y149 HydrophobicContact CG-CD2 4.21Å; L145-Y149 HydrophobicContact CG-CE2 3.87Å; L145-Y149 VanDerWaalsContact O-CD2 3.29Å; L145-Y149 WeakPolarHBondContact O-CD2 3.38Å; L145-Y149 PolarHBondContact O-N 2.98Å; A146-Y149 CarbonylContact O-C 3.32Å; A146-Y149 PolarHBondContact O-N 2.77Å; Q147-Y149 PolarHBondContact O-N 2.81Å; Y149-I151 VanDerWaalsContact C-N 3.32Å; Y149-I151 PolarHBondContact O-N 2.92Å
150G96.5Very high98.3Very high67 Ų6748.4 Ų48.469%0.69127%0.267SS*.THydrogen-bonded Turntrans65.829.4-175.100000114.3A146 Q147A146-G150 PolarHBondContact O-N 3.42Å; Q147-G150 PolarHBondContact O-N 2.82Å
151I97.6Very high98.2Very high24 Ų2445.3 Ų45.312%0.12326%0.262CS..  trans-112.3164.5-177.368.9178000111.8L92 M109 K122 L124 A146 Y149L92-I151 HydrophobicContact CD1-CD1 4.47Å; M109-I151 HydrophobicContact CE-CD1 3.6Å; K122-I151 HydrophobicContact CB-CB 4.24Å; K122-I151 HydrophobicContact CB-CG2 3.59Å; K122-I151 HydrophobicContact CD-CG2 4.47Å; L124-I151 HydrophobicContact CB-CD1 3.87Å; L124-I151 HydrophobicContact CB-CG1 4.48Å; A146-I151 HydrophobicContact CB-CG1 3.86Å; A146-I151 PolarHBondContact O-N 3.12Å; Y149-I151 VanDerWaalsContact C-N 3.32Å; Y149-I151 PolarHBondContact O-N 2.92Å
152S97.2Very high98.2Very high26 Ų2646 Ų4618%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-72.8150173.1-810000111.5M123 L124 K174M123-S152 CarbonylContact C-O 3.54Å; M123-S152 WeakPolarHBondContact CA-O 3.29Å; L124-S152 PolarHBondContact N-O 3.36Å; S152-K174 WeakPolarHBondContact OG-CE 3.36Å; S152-K174 PolarHBondContact OG-NZ 3.46Å
153F98.8Very high98.2Very high26 Ų2648.7 Ų48.711%0.11428%0.28CS..EExtended strand (participates in β ladder)trans-124.5140.5169.4177.7-119.7000110.8Y94 L124 Y139 F143 A146 E155Y94-F153 AromaticContact CE1-CE2 4Å; Y94-F153 HydrophobicContact CE1-CE2 4Å; Y94-F153 WeakPolarHBondContact OH-CE2 3.35Å; L124-F153 HydrophobicContact CB-CD2 4.15Å; L124-F153 HydrophobicContact CD2-CD2 4.03Å; L124-F153 HydrophobicContact CD2-CE2 4.43Å; L124-F153 HydrophobicContact CG-CD2 4Å; L124-F153 HydrophobicContact CG-CE2 4.43Å; L124-F153 WeakPolarHBondContact O-CA 3.48Å; L124-F153 WeakPolarHBondContact O-CD2 3.29Å; Y139-F153 HydrophobicContact CD1-CE1 4.4Å; Y139-F153 AromaticContact CD2-CE1 3.82Å; Y139-F153 HydrophobicContact CD2-CE1 3.82Å; Y139-F153 HydrophobicContact CD2-CZ 4.45Å; Y139-F153 HydrophobicContact CE1-CE1 4.21Å; Y139-F153 HydrophobicContact CE2-CD1 4.23Å; Y139-F153 AromaticContact CE2-CE1 3.61Å; Y139-F153 HydrophobicContact CE2-CE1 3.61Å; Y139-F153 HydrophobicContact CE2-CZ 4.5Å; Y139-F153 HydrophobicContact CG-CE1 4.2Å; Y139-F153 AromaticContact CZ-CE1 3.81Å; Y139-F153 WeakPolarHBondContact O-CE1 3.07Å; F143-F153 HydrophobicContact CB-CD1 3.77Å; F143-F153 HydrophobicContact CB-CE1 4.08Å; F143-F153 HydrophobicContact CD2-CD1 4.21Å; A146-F153 HydrophobicContact CB-CB 3.54Å; A146-F153 HydrophobicContact CB-CG 4.37Å; F153-E155 HydrophobicContact CE1-CG 4.12Å; F153-E155 HydrophobicContact CE2-CG 4.36Å; F153-E155 HydrophobicContact CZ-CG 3.59Å
154I98.9Very high98.2Very high16 Ų1644.7 Ų44.78%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-152.3141.2166.5-169.6166.1000109.2M123 L124 L125 G126 T156 N163 E166 A167 I170M123-I154 HydrophobicContact CE-CB 4.43Å; M123-I154 HydrophobicContact CE-CG2 3.77Å; M123-I154 HydrophobicContact SD-CG2 4.04Å; L124-I154 PolarHBondContact O-N 2.93Å; L125-I154 WeakPolarHBondContact CA-O 3.18Å; L125-I154 HydrophobicContact CD2-CG2 3.34Å; G126-I154 PolarHBondContact N-O 3.29Å; I154-T156 HydrophobicContact CG2-CG2 4.34Å; I154-N163 HydrophobicContact CD1-CB 3.69Å; I154-N163 HydrophobicContact CG1-CB 3.96Å; I154-E166 HydrophobicContact CD1-CB 4.49Å; I154-E166 HydrophobicContact CD1-CG 4.03Å; I154-A167 HydrophobicContact CG2-CB 3.85Å; I154-I170 HydrophobicContact CD1-CD1 4.15Å
155E98.9Very high98.2Very high16 Ų1641.2 Ų41.28%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-85.5144.1169.9-69.8-163.5165.800110.8G126 C129 R135 Y139 F153 N163G126-E155 CarbonylContact O-C 3.56Å; G126-E155 WeakPolarHBondContact O-CA 3.18Å; G126-E155 WeakPolarHBondContact O-CB 3.2Å; C129-E155 HydrophobicContact CB-CB 4.03Å; C129-E155 WeakPolarHBondContact CB-OE2 3.41Å; R135-E155 IonicContact CZ-OE1 2.96Å; R135-E155 IonicContact CZ-OE2 3.97Å; R135-E155 IonicContact NH1-OE1 2.82Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 3.27Å; R135-E155 PolarHBondContact NH1-OE2 2.81Å; R135-E155 IonicContact NH2-OE1 2.66Å; R135-E155 IonicContact NH2-OE2 2.85Å; R135-E155 PolarHBondContact NH2-OE2 2.55Å; Y139-E155 HydrophobicContact CD2-CG 3.79Å; Y139-E155 HydrophobicContact CE2-CG 4.1Å; F153-E155 HydrophobicContact CE1-CG 4.12Å; F153-E155 HydrophobicContact CE2-CG 4.36Å; F153-E155 HydrophobicContact CZ-CG 3.59Å; E155-N163 VanDerWaalsContact O-CB 3.24Å; E155-N163 WeakPolarHBondContact O-CB 3.19Å; E155-N163 PolarHBondContact O-ND2 3.31Å
156T98.9Very high98.2Very high0 Ų044.9 Ų44.90%027%0.271CS..EExtended strand (participates in β ladder)trans-132.9156.3-176.955.90000111.3L125 G126 N127 K128 C129 I154 I162 N163 A167L125-T156 HydrophobicContact CD2-CG2 4.28Å; G126-T156 PolarHBondContact O-N 2.81Å; N127-T156 CarbonylContact C-O 3.47Å; N127-T156 VanDerWaalsContact C-O 3.32Å; N127-T156 VanDerWaalsContact CA-O 3.24Å; N127-T156 WeakPolarHBondContact CA-O 3.38Å; N127-T156 PolarHBondContact OD1-O 2.84Å; N127-T156 PolarHBondContact OD1-OG1 3Å; K128-T156 PolarHBondContact N-O 3.43Å; C129-T156 PolarHBondContact N-O 3.24Å; C129-T156 VanDerWaalsContact N-O 3.14Å; C129-T156 PolarHBondContact SG-O 2.62Å; I154-T156 HydrophobicContact CG2-CG2 4.34Å; T156-I162 WeakPolarHBondContact CA-O 3.36Å; T156-N163 HydrophobicContact CG2-CB 4.09Å; T156-A167 HydrophobicContact CG2-CB 4.09Å
157S98.8Very high98.2Very high0 Ų044.8 Ų44.80%027%0.271CS..BIsolated β-bridgetrans-132.1109.4163.6172.90000109.2D130 K159 G160 G161 I162D130-S157 WeakPolarHBondContact CB-OG 3.49Å; D130-S157 WeakPolarHBondContact OD1-CB 3.27Å; D130-S157 PolarHBondContact OD1-OG 2.78Å; S157-K159 PolarHBondContact O-N 2.9Å; S157-K159 PolarHBondContact OG-N 3.13Å; S157-G160 PolarHBondContact OG-N 3.27Å; S157-G161 CarbonylContact O-C 3.59Å; S157-G161 VanDerWaalsContact O-CA 3.29Å; S157-G161 WeakPolarHBondContact O-CA 3.35Å; S157-G161 PolarHBondContact O-N 3.36Å; S157-I162 PolarHBondContact N-O 2.97Å; S157-I162 PolarHBondContact O-N 3.27Å; S157-I162 VanDerWaalsContact O-N 3.08Å
158A98.3Very high98.2Very high3 Ų339 Ų393%0.02524%0.244CC..THydrogen-bonded Turntrans-59-34.9170.500000112.5N29 L30 R33 F39 N127N29-A158 HydrophobicContact CB-CB 3.79Å; L30-A158 HydrophobicContact CD2-CB 4.02Å; L30-A158 HydrophobicContact CG-CB 4.18Å; R33-A158 PolarHBondContact NE-O 3.42Å; F39-A158 HydrophobicContact CD2-CB 4.16Å; F39-A158 HydrophobicContact CE2-CB 4.29Å; N127-A158 PolarHBondContact OD1-N 3.24Å
159K97.9Very high98.2Very high97 Ų9736.4 Ų36.442%0.42223%0.225SC..THydrogen-bonded Turntrans-69-53.5-179.7179.2169147-128.10111.4R33 F39 D130 S157R33-K159 PolarHBondContact NH2-O 2.79Å; F39-K159 HydrophobicContact CD1-CB 4.4Å; F39-K159 HydrophobicContact CD1-CG 4.26Å; F39-K159 HydrophobicContact CD2-CB 4.1Å; F39-K159 HydrophobicContact CE1-CB 4.04Å; F39-K159 HydrophobicContact CE1-CD 4.1Å; F39-K159 HydrophobicContact CE1-CG 3.9Å; F39-K159 HydrophobicContact CE2-CB 3.72Å; F39-K159 HydrophobicContact CE2-CG 4.48Å; F39-K159 HydrophobicContact CG-CB 4.42Å; F39-K159 HydrophobicContact CZ-CB 3.69Å; F39-K159 HydrophobicContact CZ-CD 4.15Å; F39-K159 HydrophobicContact CZ-CG 4.02Å; D130-K159 WeakPolarHBondContact OD2-CD 3.37Å; D130-K159 IonicContact OD2-NZ 2.77Å; D130-K159 PolarHBondContact OD2-NZ 2.86Å; S157-K159 PolarHBondContact O-N 2.9Å; S157-K159 PolarHBondContact OG-N 3.13Å
160G97.2Very high98.3Very high53 Ų5335 Ų3555%0.54622%0.221SC..THydrogen-bonded Turntrans-80.9-9.5-179.800000114.9S157 I162S157-G160 PolarHBondContact OG-N 3.27Å; G160-I162 PolarHBondContact O-N 3.25Å
161G97.7Very high98.4Very high35 Ų3531.8 Ų31.836%0.36119%0.189SC..THydrogen-bonded Turntrans7410.7-174.100000114.1S157 N163S157-G161 CarbonylContact O-C 3.59Å; S157-G161 VanDerWaalsContact O-CA 3.29Å; S157-G161 WeakPolarHBondContact O-CA 3.35Å; S157-G161 PolarHBondContact O-N 3.36Å; G161-N163 PolarHBondContact O-N 3.3Å
162I98.8Very high98.4Very high73 Ų7330.7 Ų30.737%0.37418%0.183SC..BIsolated β-bridgetrans-70.1124.5-175.1-57.6171.7000109.4T156 S157 G160 V164T156-I162 WeakPolarHBondContact CA-O 3.36Å; S157-I162 PolarHBondContact N-O 2.97Å; S157-I162 PolarHBondContact O-N 3.27Å; S157-I162 VanDerWaalsContact O-N 3.08Å; G160-I162 PolarHBondContact O-N 3.25Å; I162-V164 WeakPolarHBondContact O-CG2 3.17Å; I162-V164 PolarHBondContact O-N 3.16Å
163N98.7Very high98.5Very high58 Ų5835.7 Ų35.731%0.3120%0.198SC..THydrogen-bonded Turntrans55.910173.4-59.1-15.1000116.2I154 E155 T156 G161 E166 A167I154-N163 HydrophobicContact CD1-CB 3.69Å; I154-N163 HydrophobicContact CG1-CB 3.96Å; E155-N163 VanDerWaalsContact O-CB 3.24Å; E155-N163 WeakPolarHBondContact O-CB 3.19Å; E155-N163 PolarHBondContact O-ND2 3.31Å; T156-N163 HydrophobicContact CG2-CB 4.09Å; G161-N163 PolarHBondContact O-N 3.3Å; N163-E166 PolarHBondContact O-N 3.18Å; N163-A167 WeakPolarHBondContact O-CB 3.25Å; N163-A167 PolarHBondContact O-N 2.87Å
164V98.7Very high98.4Very high3 Ų338.3 Ų38.32%0.01821%0.209CC..Hα-helixtrans-65.6-58-175.41800000110.4L30 R33 F34 I162 E166 A167 F168L30-V164 HydrophobicContact CD2-CG1 4.23Å; L30-V164 HydrophobicContact CD2-CG2 3.82Å; R33-V164 HydrophobicContact CB-CG1 4.26Å; R33-V164 HydrophobicContact CG-CB 4.07Å; R33-V164 HydrophobicContact CG-CG1 3.97Å; R33-V164 HydrophobicContact CG-CG2 3.88Å; F34-V164 HydrophobicContact CB-CG1 3.96Å; I162-V164 WeakPolarHBondContact O-CG2 3.17Å; I162-V164 PolarHBondContact O-N 3.16Å; V164-E166 PolarHBondContact O-N 2.85Å; V164-A167 PolarHBondContact O-N 3.24Å; V164-F168 HydrophobicContact CG1-CD2 4.36Å; V164-F168 HydrophobicContact CG1-CE2 4.12Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å; V164-F168 PolarHBondContact O-N 3.04Å
165S98.1Very high98.4Very high63 Ų6337.8 Ų37.844%0.44121%0.206SC..Hα-helixtrans-59.9-35.6177.7-62.80000112.5T169S165-T169 WeakPolarHBondContact O-CB 3.48Å; S165-T169 PolarHBondContact O-N 2.92Å; S165-T169 PolarHBondContact O-OG1 3.21Å
166E98.5Very high98.3Very high99 Ų9937.9 Ų37.946%0.46321%0.207SC..Hα-helixtrans-64.8-45.2178-177.3171.2-166.800111.8I154 N163 V164 F168 T169 I170I154-E166 HydrophobicContact CD1-CB 4.49Å; I154-E166 HydrophobicContact CD1-CG 4.03Å; N163-E166 PolarHBondContact O-N 3.18Å; V164-E166 PolarHBondContact O-N 2.85Å; E166-F168 PolarHBondContact O-N 2.82Å; E166-T169 PolarHBondContact O-N 3.02Å; E166-T169 VanDerWaalsContact O-N 3.12Å; E166-I170 HydrophobicContact CG-CD1 3.65Å; E166-I170 HydrophobicContact CG-CG1 4.15Å; E166-I170 WeakPolarHBondContact O-CG1 3.5Å; E166-I170 PolarHBondContact O-N 2.89Å
167A98.8Very high98.1Very high1 Ų140.6 Ų40.61%0.00823%0.229CC..Hα-helixtrans-56.2-47.5177.300000112.4M91 M123 L125 I154 T156 N163 V164 T169 I170 L171M91-A167 WeakPolarHBondContact CE-O 3.45Å; M123-A167 HydrophobicContact SD-CB 4.23Å; L125-A167 HydrophobicContact CD1-CB 4.39Å; L125-A167 HydrophobicContact CD2-CB 3.82Å; I154-A167 HydrophobicContact CG2-CB 3.85Å; T156-A167 HydrophobicContact CG2-CB 4.09Å; N163-A167 WeakPolarHBondContact O-CB 3.25Å; N163-A167 PolarHBondContact O-N 2.87Å; V164-A167 PolarHBondContact O-N 3.24Å; A167-T169 PolarHBondContact O-N 3.47Å; A167-I170 PolarHBondContact O-N 2.98Å; A167-L171 PolarHBondContact O-N 2.93Å; A167-L171 VanDerWaalsContact O-N 3.13Å
168F98.6Very high97.8Very high1 Ų143.8 Ų43.80%0.00424%0.243CC..Hα-helixtrans-63.9-39.5175.8-74.1-83.4000112.6L17 L19 F34 L65 I67 M91 V164 E166 A172L17-F168 HydrophobicContact CD1-CD1 3.97Å; L17-F168 HydrophobicContact CD1-CE1 4.48Å; L19-F168 HydrophobicContact CD2-CE1 4.24Å; L19-F168 HydrophobicContact CD2-CZ 4.19Å; F34-F168 HydrophobicContact CB-CD2 3.85Å; F34-F168 HydrophobicContact CB-CE2 3.57Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CD1 4.13Å; F34-F168 AromaticContact CD1-CD2 3.97Å; F34-F168 HydrophobicContact CD1-CD2 3.97Å; F34-F168 HydrophobicContact CD1-CE1 4.25Å; F34-F168 HydrophobicContact CD1-CE2 4.11Å; F34-F168 AromaticContact CD1-CG 4Å; F34-F168 HydrophobicContact CD1-CG 4Å; F34-F168 HydrophobicContact CD1-CZ 4.25Å; F34-F168 HydrophobicContact CD2-CB 3.91Å; F34-F168 AromaticContact CD2-CD2 3.32Å; F34-F168 HydrophobicContact CD2-CD2 3.32Å; F34-F168 AromaticContact CD2-CE2 3.99Å; F34-F168 HydrophobicContact CD2-CE2 3.99Å; F34-F168 AromaticContact CD2-CG 3.71Å; F34-F168 HydrophobicContact CD2-CG 3.71Å; F34-F168 HydrophobicContact CE1-CB 4.2Å; F34-F168 HydrophobicContact CE1-CD1 4.03Å; F34-F168 HydrophobicContact CE1-CD2 4.35Å; F34-F168 AromaticContact CE1-CG 3.94Å; F34-F168 HydrophobicContact CE1-CG 3.94Å; F34-F168 HydrophobicContact CE2-CB 3.39Å; F34-F168 AromaticContact CE2-CD2 3.78Å; F34-F168 HydrophobicContact CE2-CD2 3.78Å; F34-F168 AromaticContact CE2-CG 3.67Å; F34-F168 HydrophobicContact CE2-CG 3.67Å; F34-F168 HydrophobicContact CG-CD1 4.42Å; F34-F168 AromaticContact CG-CD2 3.43Å; F34-F168 HydrophobicContact CG-CD2 3.43Å; F34-F168 VanDerWaalsContact CG-CD2 3.43Å; F34-F168 AromaticContact CG-CE2 3.63Å; F34-F168 HydrophobicContact CG-CE2 3.63Å; F34-F168 AromaticContact CG-CG 3.88Å; F34-F168 HydrophobicContact CG-CG 3.88Å; F34-F168 HydrophobicContact CG-CZ 4.21Å; F34-F168 HydrophobicContact CZ-CB 3.55Å; F34-F168 HydrophobicContact CZ-CD1 4.25Å; F34-F168 HydrophobicContact CZ-CD2 4.26Å; F34-F168 AromaticContact CZ-CG 3.78Å; F34-F168 HydrophobicContact CZ-CG 3.78Å; L65-F168 HydrophobicContact CD1-CB 4.48Å; I67-F168 HydrophobicContact CD1-CD1 3.88Å; I67-F168 HydrophobicContact CD1-CE1 3.6Å; I67-F168 HydrophobicContact CD1-CZ 4.39Å; I67-F168 HydrophobicContact CG1-CE1 4.23Å; I67-F168 HydrophobicContact CG2-CE1 4.11Å; M91-F168 VanDerWaalsContact CE-CA 3.42Å; M91-F168 HydrophobicContact CE-CB 4.11Å; M91-F168 HydrophobicContact CE-CD1 3.45Å; M91-F168 VanDerWaalsContact CE-CD1 3.45Å; M91-F168 HydrophobicContact CE-CD2 4.25Å; M91-F168 HydrophobicContact CE-CE1 3.83Å; M91-F168 HydrophobicContact CE-CG 3.68Å; M91-F168 HydrophobicContact CE-CZ 4.38Å; M91-F168 HydrophobicContact SD-CD1 3.99Å; M91-F168 HydrophobicContact SD-CE1 3.7Å; M91-F168 HydrophobicContact SD-CE2 4.42Å; M91-F168 HydrophobicContact SD-CG 4.46Å; M91-F168 HydrophobicContact SD-CZ 3.94Å; V164-F168 HydrophobicContact CG1-CD2 4.36Å; V164-F168 HydrophobicContact CG1-CE2 4.12Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å; V164-F168 PolarHBondContact O-N 3.04Å; E166-F168 PolarHBondContact O-N 2.82Å; F168-A172 VanDerWaalsContact O-CB 3.29Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.96Å
169T98.5Very high97.5Very high32 Ų3248.6 Ų48.620%0.19626%0.26CS..Hα-helixtrans-67.5-43.2178.8-56.30000111.8I58 S165 E166 A167 A172 R173I58-T169 HydrophobicContact CD1-CG2 4.18Å; I58-T169 HydrophobicContact CG1-CG2 4.3Å; S165-T169 WeakPolarHBondContact O-CB 3.48Å; S165-T169 PolarHBondContact O-N 2.92Å; S165-T169 PolarHBondContact O-OG1 3.21Å; E166-T169 PolarHBondContact O-N 3.02Å; E166-T169 VanDerWaalsContact O-N 3.12Å; A167-T169 PolarHBondContact O-N 3.47Å; T169-A172 PolarHBondContact O-N 3.38Å; T169-R173 PolarHBondContact O-N 3.23Å
170I98.6Very high97.2Very high41 Ų4147.2 Ų47.221%0.2126%0.255CS..Hα-helixtrans-61.5-47.3177.6-69.2168000110.4M123 I154 E166 A167 A172 R173 K174M123-I170 HydrophobicContact CE-CB 3.75Å; M123-I170 HydrophobicContact CE-CD1 4.07Å; M123-I170 HydrophobicContact CE-CG2 3.4Å; I154-I170 HydrophobicContact CD1-CD1 4.15Å; E166-I170 HydrophobicContact CG-CD1 3.65Å; E166-I170 HydrophobicContact CG-CG1 4.15Å; E166-I170 WeakPolarHBondContact O-CG1 3.5Å; E166-I170 PolarHBondContact O-N 2.89Å; A167-I170 PolarHBondContact O-N 2.98Å; I170-A172 PolarHBondContact O-N 3.11Å; I170-R173 PolarHBondContact O-N 2.95Å; I170-K174 PolarHBondContact O-N 3.44Å
171L98.7Very high97Very high1 Ų150.7 Ų50.71%0.00526%0.257CS..Hα-helixtrans-63.5-43.2178.6-175.562000111.4L17 M91 A121 M123 A167 R173 K174 I175L17-L171 HydrophobicContact CD2-CD2 4.06Å; L17-L171 HydrophobicContact CD2-CG 4.44Å; M91-L171 HydrophobicContact CE-CB 3.94Å; M91-L171 HydrophobicContact CE-CD2 3.7Å; M91-L171 HydrophobicContact CE-CG 4.49Å; M91-L171 HydrophobicContact CG-CD2 3.51Å; M91-L171 HydrophobicContact SD-CD2 4.4Å; A121-L171 HydrophobicContact CB-CD1 3.76Å; M123-L171 HydrophobicContact CB-CD1 4.28Å; A167-L171 PolarHBondContact O-N 2.93Å; A167-L171 VanDerWaalsContact O-N 3.13Å; L171-R173 PolarHBondContact O-N 2.71Å; L171-K174 WeakPolarHBondContact O-CB 3.41Å; L171-K174 PolarHBondContact O-N 3.01Å; L171-I175 HydrophobicContact CG-CD1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.35Å; L171-I175 PolarHBondContact O-N 3.33Å
172A98.6Very high96.5Very high0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-62-41.117700000112.4Y15 I56 I58 L65 F168 T169 I170 K174 I175 K176Y15-A172 HydrophobicContact CD2-CB 4.29Å; Y15-A172 WeakPolarHBondContact CE2-O 3.41Å; I56-A172 HydrophobicContact CD1-CB 3.98Å; I58-A172 HydrophobicContact CD1-CB 3.49Å; I58-A172 VanDerWaalsContact CD1-CB 3.49Å; L65-A172 HydrophobicContact CD2-CB 4.1Å; F168-A172 VanDerWaalsContact O-CB 3.29Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.96Å; T169-A172 PolarHBondContact O-N 3.38Å; I170-A172 PolarHBondContact O-N 3.11Å; A172-K174 VanDerWaalsContact C-N 3.34Å; A172-K174 PolarHBondContact O-N 3.21Å; A172-I175 PolarHBondContact O-N 2.98Å; A172-K176 PolarHBondContact O-N 3.22Å
173R98.2Very high96Very high131 Ų13152 Ų5249%0.49426%0.261SS..Hα-helixtrans-60.9-40.9172.7-80.2-176-164.3143.86.3112.4I58 T169 I170 L171 I175 K176 A177I58-R173 HydrophobicContact CD1-CG 4.07Å; I58-R173 HydrophobicContact CG2-CG 3.63Å; T169-R173 PolarHBondContact O-N 3.23Å; I170-R173 PolarHBondContact O-N 2.95Å; L171-R173 PolarHBondContact O-N 2.71Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 PolarHBondContact O-N 3.17Å; R173-K176 PolarHBondContact O-N 3.27Å; R173-A177 WeakPolarHBondContact O-CB 3.28Å; R173-A177 PolarHBondContact O-N 3.33Å
174K97.7Very high95.4Very high81 Ų8154.5 Ų54.535%0.35227%0.274SS..Hα-helixtrans-61.5-41.9176-79-172.5159.4-166.80112.2A121 S152 I170 L171 A172 K178A121-K174 HydrophobicContact CB-CB 4.24Å; S152-K174 WeakPolarHBondContact OG-CE 3.36Å; S152-K174 PolarHBondContact OG-NZ 3.46Å; I170-K174 PolarHBondContact O-N 3.44Å; L171-K174 WeakPolarHBondContact O-CB 3.41Å; L171-K174 PolarHBondContact O-N 3.01Å; A172-K174 VanDerWaalsContact C-N 3.34Å; A172-K174 PolarHBondContact O-N 3.21Å; K174-K178 WeakPolarHBondContact O-CB 3.18Å; K174-K178 PolarHBondContact O-N 2.8Å; K174-K178 VanDerWaalsContact O-N 3.11Å
175I97.8Very high94.7Very high6 Ų660.3 Ų60.33%0.03130%0.304CS..Hα-helixtrans-62.7-49.2175.4-63.4165.9000110.1Y15 L17 M88 A121 L171 A172 R173 A177 K178 R179Y15-I175 HydrophobicContact CD1-CG2 3.81Å; Y15-I175 HydrophobicContact CD2-CB 4Å; Y15-I175 HydrophobicContact CD2-CD1 4.15Å; Y15-I175 HydrophobicContact CD2-CG2 3.8Å; Y15-I175 HydrophobicContact CE1-CG2 3.94Å; Y15-I175 HydrophobicContact CE2-CB 4.01Å; Y15-I175 HydrophobicContact CE2-CG2 3.86Å; Y15-I175 HydrophobicContact CG-CB 4.46Å; Y15-I175 HydrophobicContact CG-CD1 4.36Å; Y15-I175 HydrophobicContact CG-CG2 3.8Å; L17-I175 HydrophobicContact CD2-CD1 3.43Å; L17-I175 VanDerWaalsContact CD2-CD1 3.43Å; M88-I175 HydrophobicContact CB-CD1 4.08Å; M88-I175 HydrophobicContact CB-CG1 4.43Å; M88-I175 HydrophobicContact CB-CG2 4.04Å; M88-I175 HydrophobicContact CE-CG2 3.7Å; A121-I175 HydrophobicContact CB-CG1 3.77Å; L171-I175 HydrophobicContact CG-CD1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.35Å; L171-I175 PolarHBondContact O-N 3.33Å; A172-I175 PolarHBondContact O-N 2.98Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 PolarHBondContact O-N 3.17Å; I175-A177 PolarHBondContact O-N 2.86Å; I175-K178 PolarHBondContact O-N 3.42Å; I175-R179 HydrophobicContact CG2-CG 4.5Å; I175-R179 WeakPolarHBondContact O-CG 3.35Å; I175-R179 PolarHBondContact O-N 2.56Å
176K96.5Very high93.8Very high18 Ų1863.5 Ų63.58%0.07832%0.316CS..Hα-helixtrans-54.7-53.2178.2-179.1178.7170.9-74.60111.7Y15 I58 D59 I63 A172 R173 K178 R179 E180Y15-K176 HydrophobicContact CE2-CB 4.3Å; Y15-K176 WeakPolarHBondContact OH-CA 3.42Å; Y15-K176 VanDerWaalsContact OH-CB 3.3Å; Y15-K176 WeakPolarHBondContact OH-CB 3.29Å; I58-K176 HydrophobicContact CG2-CD 3.99Å; D59-K176 WeakPolarHBondContact OD2-CE 3.33Å; D59-K176 IonicContact OD2-NZ 2.93Å; D59-K176 PolarHBondContact OD2-NZ 3Å; I63-K176 HydrophobicContact CD1-CD 4.26Å; A172-K176 PolarHBondContact O-N 3.22Å; R173-K176 PolarHBondContact O-N 3.27Å; K176-K178 VanDerWaalsContact C-N 3.31Å; K176-K178 PolarHBondContact O-N 2.81Å; K176-R179 PolarHBondContact O-N 3.07Å; K176-E180 WeakPolarHBondContact CE-OE1 3.23Å; K176-E180 VanDerWaalsContact NZ-CD 3.26Å; K176-E180 IonicContact NZ-OE1 2.84Å; K176-E180 PolarHBondContact NZ-OE1 3.3Å; K176-E180 IonicContact NZ-OE2 2.93Å; K176-E180 PolarHBondContact NZ-OE2 2.66Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.44Å
177A95.2Very high92.8Very high56 Ų5664.9 Ų64.946%0.46333%0.327SS..Hα-helixtrans-58.8-42-179.100000112.2R173 I175 E180 Q181R173-A177 WeakPolarHBondContact O-CB 3.28Å; R173-A177 PolarHBondContact O-N 3.33Å; I175-A177 PolarHBondContact O-N 2.86Å; A177-E180 PolarHBondContact O-N 3.34Å; A177-Q181 PolarHBondContact O-N 3.07Å
178K93Very high91.4Very high67 Ų6769.1 Ų69.129%0.29136%0.355SS..Hα-helixtrans-64-43177.9-174166.7-174.1161.20112.3E118 G119 K174 I175 K176 Q181 E182E118-K178 PolarHBondContact O-NZ 3.04Å; G119-K178 VanDerWaalsContact O-CD 3.24Å; G119-K178 WeakPolarHBondContact O-CD 3.43Å; G119-K178 WeakPolarHBondContact O-CE 3.45Å; G119-K178 PolarHBondContact O-NZ 3.08Å; K174-K178 WeakPolarHBondContact O-CB 3.18Å; K174-K178 PolarHBondContact O-N 2.8Å; K174-K178 VanDerWaalsContact O-N 3.11Å; I175-K178 PolarHBondContact O-N 3.42Å; K176-K178 VanDerWaalsContact C-N 3.31Å; K176-K178 PolarHBondContact O-N 2.81Å; K178-Q181 WeakPolarHBondContact O-CB 3.42Å; K178-Q181 PolarHBondContact O-N 2.99Å; K178-E182 WeakPolarHBondContact CE-OE1 3.36Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.13Å
179R92.4Very high89.9Confident105 Ų10574.8 Ų74.840%0.39639%0.391SS..Hα-helixtrans-65.9-38.3176.6-69.2-17375.51670.4112.8M88 I175 K176 Q181 E182 A183M88-R179 HydrophobicContact CE-CG 4.38Å; I175-R179 HydrophobicContact CG2-CG 4.5Å; I175-R179 WeakPolarHBondContact O-CG 3.35Å; I175-R179 PolarHBondContact O-N 2.56Å; K176-R179 PolarHBondContact O-N 3.07Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-E182 PolarHBondContact O-N 3.24Å; R179-A183 VanDerWaalsContact O-CB 3.31Å; R179-A183 WeakPolarHBondContact O-CB 3.41Å; R179-A183 PolarHBondContact O-N 3.47Å
180E91.7Very high88.5Confident67 Ų6784.9 Ų84.931%0.31343%0.426SS..Hα-helixtrans-64.3-40175.7-73.2173.4162.900110.6K61 K176 A177 A183 N184K61-E180 IonicContact NZ-OE1 3.63Å; K61-E180 PolarHBondContact NZ-OE1 3.16Å; K176-E180 WeakPolarHBondContact CE-OE1 3.23Å; K176-E180 VanDerWaalsContact NZ-CD 3.26Å; K176-E180 IonicContact NZ-OE1 2.84Å; K176-E180 PolarHBondContact NZ-OE1 3.3Å; K176-E180 IonicContact NZ-OE2 2.93Å; K176-E180 PolarHBondContact NZ-OE2 2.66Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.44Å; A177-E180 PolarHBondContact O-N 3.34Å; E180-A183 PolarHBondContact O-N 2.82Å; E180-N184 WeakPolarHBondContact O-CB 3.42Å; E180-N184 PolarHBondContact O-N 3.14Å; E180-N184 PolarHBondContact O-ND2 3.1Å
181Q91.2Very high86.8Confident126 Ų12690.5 Ų90.559%0.58945%0.451SS*.Hα-helixtrans-62.8-48.1172.5-173.9-179.89.100112.3A177 K178 R179 A183 N184 L185A177-Q181 PolarHBondContact O-N 3.07Å; K178-Q181 WeakPolarHBondContact O-CB 3.42Å; K178-Q181 PolarHBondContact O-N 2.99Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 3.06Å; Q181-N184 PolarHBondContact O-N 3.28Å; Q181-L185 HydrophobicContact CG-CD1 4.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.48Å; Q181-L185 PolarHBondContact O-N 3.15Å
182E88.1Confident85Confident88 Ų8896.5 Ų96.541%0.41148%0.483SS..Hα-helixtrans-61.8-38.4177.7-71.8168.5-175.800112.1K178 R179 N186K178-E182 WeakPolarHBondContact CE-OE1 3.36Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.13Å; R179-E182 PolarHBondContact O-N 3.24Å; E182-N186 PolarHBondContact O-N 3Å; E182-N186 PolarHBondContact O-ND2 2.69Å
183A87.7Confident83Confident48 Ų48102.9 Ų102.940%0.39752%0.516SS..Hα-helixtrans-66.6-40.4176.700000112.4R179 E180 Q181 N186 N187R179-A183 VanDerWaalsContact O-CB 3.31Å; R179-A183 WeakPolarHBondContact O-CB 3.41Å; R179-A183 PolarHBondContact O-N 3.47Å; E180-A183 PolarHBondContact O-N 2.82Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 3.06Å; A183-N186 PolarHBondContact O-N 2.95Å; A183-N187 PolarHBondContact O-N 3.34Å
184N86.1Confident81.1Confident110 Ų110106.6 Ų106.659%0.58853%0.53SS*.Hα-helixtrans-69.6-34.6178.5-70.5-16.9000112.5E180 Q181 N187E180-N184 WeakPolarHBondContact O-CB 3.42Å; E180-N184 PolarHBondContact O-N 3.14Å; E180-N184 PolarHBondContact O-ND2 3.1Å; Q181-N184 PolarHBondContact O-N 3.28Å; N184-N187 CarbonylContact O-C 3.24Å; N184-N187 VanDerWaalsContact O-C 3.24Å
185L84.3Confident78.9Confident126 Ų126109.1 Ų109.166%0.6655%0.547SS*.Hα-helixtrans-67.5-36.6175.4-71170.4000112.1Q181Q181-L185 HydrophobicContact CG-CD1 4.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.48Å; Q181-L185 PolarHBondContact O-N 3.15Å
186N80.4Confident76.8Confident130 Ų130115.1 Ų115.170%0.69558%0.578SS**Hα-helixtrans-80.8-22.9179.5-68.6-32.6000113.3E182 A183E182-N186 PolarHBondContact O-N 3Å; E182-N186 PolarHBondContact O-ND2 2.69Å; A183-N186 PolarHBondContact O-N 2.95Å
187N77.5Confident74.8Confident127 Ų127120.2 Ų120.268%0.67961%0.611SS**SBendtrans-12772.6175.7-67.9-46.6000109.6A183 N184A183-N187 PolarHBondContact O-N 3.34Å; N184-N187 CarbonylContact O-C 3.24Å; N184-N187 VanDerWaalsContact O-C 3.24Å
188P69.4Low72.8Confident91 Ų91122 Ų12259%0.59162%0.62SS**  trans-57.2141.2176.424.2-32.7000109.2R190P188-R190 PolarHBondContact O-N 3.18Å
189P67Low70.6Confident119 Ų119128.1 Ų128.177%0.77365%0.647SS**  trans-50.9129.2172.1-22.431.3000108.5E191P189-E191 PolarHBondContact O-N 3.42Å
190R67.9Low68.3Low244 Ų244134.1 Ų134.192%0.92167%0.669SS**  trans-60.2108.5167.2-71.3-175.4179.6-168.4-0.5105.8P188 D192P188-R190 PolarHBondContact O-N 3.18Å; R190-D192 PolarHBondContact O-N 3.27Å; R190-D192 VanDerWaalsContact O-N 3.07Å
191E62.6Low66Low160 Ų160136.5 Ų136.575%0.74869%0.691SS**  trans-51.8120.1169.6-117.4174.8-176.400106.7P189 I193P189-E191 PolarHBondContact O-N 3.42Å; E191-I193 PolarHBondContact O-N 3.43Å
192D61.1Low64.1Low127 Ų127140.1 Ų140.168%0.67970%0.704SS**  trans-66.590.7173.6-112.1-29.2000106.7R190 R194 N195R190-D192 PolarHBondContact O-N 3.27Å; R190-D192 VanDerWaalsContact O-N 3.07Å; D192-R194 PolarHBondContact O-N 3.27Å; D192-N195 PolarHBondContact O-N 2.95Å
193I58.1Low62Low134 Ų134147.2 Ų147.269%0.68773%0.727SS**G310 helixtrans-54.2-11.7179.3-68.2169.8000111.7E191 N195 I196E191-I193 PolarHBondContact O-N 3.43Å; I193-N195 PolarHBondContact O-N 3.42Å; I193-N195 VanDerWaalsContact O-N 3.13Å; I193-I196 PolarHBondContact O-N 3.1Å
194R57Low59.8Low208 Ų208151.1 Ų151.179%0.78574%0.741SS**G310 helixtrans-59.8-20.6178.8-68-176.3175-179.8-0114.9D192D192-R194 PolarHBondContact O-N 3.27Å
195N52.7Low57.7Low135 Ų135154.7 Ų154.772%0.72276%0.756SS**G310 helixtrans-101-1.2-176.7-82.3-10.9000116.4D192 I193D192-N195 PolarHBondContact O-N 2.95Å; I193-N195 PolarHBondContact O-N 3.42Å; I193-N195 VanDerWaalsContact O-N 3.13Å
196I52.3Low55.6Low131 Ų131159.1 Ų159.167%0.67277%0.765SS**THydrogen-bonded Turntrans-86.6-20.6177.1-67177.5000112.4I193 S198I193-I196 PolarHBondContact O-N 3.1Å; I196-S198 VanDerWaalsContact C-N 3.33Å; I196-S198 PolarHBondContact O-N 3.3Å
197T54.6Low53.5Low125 Ų125156.6 Ų156.677%0.76777%0.769SS**THydrogen-bonded Turntrans-81.2-1.2-176.750.40000115.4
198S54Low51.7Low94 Ų94156.8 Ų156.866%0.65778%0.779SS**THydrogen-bonded Turntrans-96.7-10.6-176.869.10000115.7I196 R200I196-S198 VanDerWaalsContact C-N 3.33Å; I196-S198 PolarHBondContact O-N 3.3Å; S198-R200 VanDerWaalsContact C-N 3.34Å; S198-R200 PolarHBondContact O-N 3.02Å; S198-R200 VanDerWaalsContact O-N 3.15Å
199K45.9Very low50.1Low195 Ų195157.1 Ų157.185%0.84878%0.783SS**  trans-9068.3174.1-76.2-170.9178.81790111.4P201K199-P201 WeakPolarHBondContact O-CD 3.49Å
200R45.1Very low48.6Very low231 Ų231158.5 Ų158.587%0.87278%0.783SS**  trans-65.8120158.9-94.7-176.8172.9173-1.3108S198 K202S198-R200 VanDerWaalsContact C-N 3.34Å; S198-R200 PolarHBondContact O-N 3.02Å; S198-R200 VanDerWaalsContact O-N 3.15Å; R200-K202 PolarHBondContact O-N 2.87Å
201P43.9Very low47Very low118 Ų118158.5 Ų158.577%0.76680%0.8SS**  trans-62.2129.117425.1-30.8000108.4K199 R203K199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-R203 PolarHBondContact O-N 3.13Å
202K49.4Very low46.3Very low201 Ų201158.5 Ų158.587%0.87480%0.802SS**  trans-56.8108.8174.6-74.3-175.6176.5-179.70107.8R200 L204R200-K202 PolarHBondContact O-N 2.87Å; K202-L204 PolarHBondContact O-N 3.07Å
203R45.9Very low45.5Very low237 Ų237160.1 Ų160.189%0.89481%0.809SS**  trans-62106.4176.3-145.1176.3-174.8-158.31.1106.8P201 M205P201-R203 PolarHBondContact O-N 3.13Å; R203-M205 PolarHBondContact O-N 2.91Å
204L41.5Very low44.8Very low131 Ų131161.6 Ų161.669%0.68682%0.816SS**  trans-62105.2171.5-87.796000107.6K202 W206K202-L204 PolarHBondContact O-N 3.07Å; L204-W206 HydrophobicContact CD2-CZ2 4.31Å; L204-W206 PolarHBondContact O-N 2.83Å; L204-W206 VanDerWaalsContact O-N 3.13Å
205M42Very low44Very low185 Ų185158.8 Ų158.891%0.91182%0.818SS**  trans-72.698.4167.2-78.6-150.3-63.200107.9R203 G207R203-M205 PolarHBondContact O-N 2.91Å; M205-G207 PolarHBondContact O-N 2.72Å
206W38.7Very low43.5Very low219 Ų219160.3 Ų160.383%0.8382%0.823SS**  trans-76.896.7165.6-71.385.1000107.8L204 C208L204-W206 HydrophobicContact CD2-CZ2 4.31Å; L204-W206 PolarHBondContact O-N 2.83Å; L204-W206 VanDerWaalsContact O-N 3.13Å; W206-C208 PolarHBondContact O-N 2.99Å
207G37.9Very low42.9Very low77 Ų77162.3 Ų162.379%0.79483%0.834SS**  trans-72.5103.1161.200000108.4M205M205-G207 PolarHBondContact O-N 2.72Å
208C38.7Very low42.1Very low130 Ų130164.9 Ų164.988%0.87884%0.838SS**  trans-103.896.7158.6-130.50000106.8W206W206-C208 PolarHBondContact O-N 2.99Å
209S35.6Very low41.2Very low98 Ų98170.4 Ų170.469%0.68585%0.852SS**  trans-71.6136.5163.7-92.10000109.2
210I35.7Very low40.8Very low148 Ų148168.3 Ų168.376%0.75985%0.853SS**  trans56.694.3134.8-50.1164.6000115.2
211L35Very low40.4Very low245 Ų245162.6 Ų162.6100%1.28385%0.851SS**  -172.70127.2-99.1149.6000109.9

Retrieved 211 of 211 residues in 41.3 ms (Link to these results)

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