CCD25_PONAB Loading...

Coiled-coil domain-containing protein 25

Transmembrane receptor that senses neutrophil extracellular traps (NETs) and triggers the ILK-PARVB pathway to enhance cell motility. NETs are mainly composed of DNA fibers and are released by neutrophils to bind pathogens during inflammation. Formation of NETs is also associated with cancer metastasis, NET-DNA acting as a chemotactic factor to attract cancer cells. Specifically binds NETs on its extracellular region, in particular the 8-OHdG-enriched DNA present in NETs, and recruits ILK, initiating the ILK-PARVB cascade to induce cytoskeleton rearrangement and directional migration of cells.

AlphaFold DB , UniProt , Accession Q5R9S1, Species PONAB (Pongo abelii, Sumatran orangutan), Gene CCDC25, Length 208 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
1M81.8Confident77.9Confident22 Ų2241.6 Ų41.611%0.10824%0.236CC..  0125.40-171174.3115.800109.7F3 K21 E25 F141M1-F3 HydrophobicContact CE-CD1 4.28Å; M1-F3 HydrophobicContact CE-CE1 3.33Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.18Å; M1-K21 HydrophobicContact CB-CB 4.09Å; M1-K21 HydrophobicContact CB-CD 4.1Å; M1-K21 HydrophobicContact CE-CB 4.36Å; M1-K21 HydrophobicContact CE-CD 3.6Å; M1-K21 HydrophobicContact CE-CG 4.04Å; M1-K21 HydrophobicContact CG-CD 4.41Å; M1-K21 WeakPolarHBondContact O-CB 3.39Å; M1-K21 PolarHBondContact O-N 2.85Å; M1-K21 HydrophobicContact SD-CD 3.82Å; M1-E25 PolarHBondContact N-OE1 2.99Å; M1-E25 PolarHBondContact N-OE2 3.43Å; M1-F141 HydrophobicContact CB-CD1 4.06Å; M1-F141 HydrophobicContact CB-CE1 3.54Å; M1-F141 HydrophobicContact CB-CZ 4.02Å; M1-F141 HydrophobicContact CG-CD1 4.38Å; M1-F141 HydrophobicContact CG-CE1 3.75Å; M1-F141 HydrophobicContact CG-CE2 4.28Å; M1-F141 HydrophobicContact CG-CZ 3.68Å; M1-F141 HydrophobicContact SD-CE1 4.17Å; M1-F141 HydrophobicContact SD-CE2 4.48Å; M1-F141 HydrophobicContact SD-CZ 3.71Å
2V86.2Confident76.2Confident1 Ų146.9 Ų46.91%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-123.6130.6-175.3-177.90000108.8Y4 Y18 M19 L29 R140 P142V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.84Å; V2-Y4 HydrophobicContact CG1-CD2 4.07Å; V2-Y4 HydrophobicContact CG1-CE2 3.58Å; V2-Y18 HydrophobicContact CG1-CD2 4.21Å; V2-M19 WeakPolarHBondContact CA-O 3.48Å; V2-L29 HydrophobicContact CG1-CD1 4.49Å; V2-L29 HydrophobicContact CG1-CD2 4.38Å; V2-L29 HydrophobicContact CG2-CD1 4.33Å; V2-L29 HydrophobicContact CG2-CD2 4.08Å; V2-L29 HydrophobicContact CG2-CG 4.47Å; V2-R140 PolarHBondContact N-O 3.12Å; V2-R140 PolarHBondContact O-N 2.98Å; V2-R140 VanDerWaalsContact O-O 3.11Å; V2-P142 HydrophobicContact CB-CG 4Å; V2-P142 HydrophobicContact CG2-CG 3.77Å
3F89.5Confident75.8Confident31 Ų3147.8 Ų47.814%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-90125.1172.5-60.6-71.5000108.9M1 F5 Y18 M19 K21 K137 E139M1-F3 HydrophobicContact CE-CD1 4.28Å; M1-F3 HydrophobicContact CE-CE1 3.33Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.18Å; F3-F5 HydrophobicContact CB-CE2 3.57Å; F3-F5 HydrophobicContact CB-CZ 3.91Å; F3-Y18 CarbonylContact O-C 3.59Å; F3-Y18 WeakPolarHBondContact O-CA 3.07Å; F3-Y18 WeakPolarHBondContact O-CB 3.43Å; F3-M19 HydrophobicContact CB-CG 4Å; F3-M19 HydrophobicContact CD2-CG 4.03Å; F3-M19 PolarHBondContact N-O 3.34Å; F3-M19 PolarHBondContact O-N 3.12Å; F3-K21 HydrophobicContact CE2-CB 3.94Å; F3-K21 HydrophobicContact CE2-CG 4.04Å; F3-K21 HydrophobicContact CZ-CG 4.32Å; F3-K137 HydrophobicContact CD1-CD 4.4Å; F3-K137 HydrophobicContact CD1-CG 4.38Å; F3-K137 VanDerWaalsContact CE1-CE 3.49Å; F3-E139 HydrophobicContact CD1-CB 4.45Å; F3-E139 HydrophobicContact CD1-CG 3.83Å; F3-E139 HydrophobicContact CE1-CG 3.85Å; F3-E139 WeakPolarHBondContact CE1-OE1 3.48Å
4Y90.7Very high76.2Confident34 Ų3448.4 Ų48.413%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-104.1142.9172.9-70.8-97.5000109.5V2 T16 I17 Y18 K137 V138 R140 P142V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.84Å; V2-Y4 HydrophobicContact CG1-CD2 4.07Å; V2-Y4 HydrophobicContact CG1-CE2 3.58Å; Y4-T16 HydrophobicContact CD1-CG2 3.9Å; Y4-T16 HydrophobicContact CE1-CG2 4.44Å; Y4-I17 CarbonylContact C-O 3.45Å; Y4-I17 WeakPolarHBondContact CA-O 3.22Å; Y4-Y18 HydrophobicContact CE1-CD1 4.46Å; Y4-Y18 HydrophobicContact CE1-CG 4.27Å; Y4-K137 CarbonylContact O-C 3.52Å; Y4-K137 VanDerWaalsContact O-CA 3.3Å; Y4-K137 WeakPolarHBondContact O-CA 3.42Å; Y4-V138 PolarHBondContact N-O 2.86Å; Y4-V138 PolarHBondContact O-N 3.27Å; Y4-R140 HydrophobicContact CD2-CB 3.91Å; Y4-R140 HydrophobicContact CD2-CG 4.02Å; Y4-R140 HydrophobicContact CE2-CB 3.81Å; Y4-R140 HydrophobicContact CE2-CG 4.32Å; Y4-P142 HydrophobicContact CE2-CG 4.09Å; Y4-P142 WeakPolarHBondContact OH-CB 3.34Å; Y4-P142 VanDerWaalsContact OH-CG 3.31Å; Y4-P142 WeakPolarHBondContact OH-CG 3.12Å
5F89.8Confident76.9Confident2 Ų245.9 Ų45.91%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-133145176.2-54.4-97000107.8F3 I17 M19 L74 L133 K137F3-F5 HydrophobicContact CB-CE2 3.57Å; F3-F5 HydrophobicContact CB-CZ 3.91Å; F5-I17 HydrophobicContact CB-CB 4.14Å; F5-I17 HydrophobicContact CD2-CG2 4.47Å; F5-I17 PolarHBondContact N-O 3.3Å; F5-I17 PolarHBondContact O-N 3.01Å; F5-I17 VanDerWaalsContact O-O 3.11Å; F5-M19 HydrophobicContact CD2-CE 4.27Å; F5-M19 HydrophobicContact CE2-CE 3.26Å; F5-M19 HydrophobicContact CE2-CG 4.16Å; F5-M19 HydrophobicContact CZ-CE 3.42Å; F5-M19 VanDerWaalsContact CZ-CE 3.42Å; F5-L74 HydrophobicContact CD2-CD2 3.96Å; F5-L74 HydrophobicContact CE1-CD1 4.37Å; F5-L74 HydrophobicContact CE2-CD2 4.11Å; F5-L74 HydrophobicContact CG-CD2 4.3Å; F5-L74 HydrophobicContact CZ-CD1 4.36Å; F5-L133 HydrophobicContact CD1-CB 4.23Å; F5-L133 WeakPolarHBondContact CD1-O 3Å; F5-K137 HydrophobicContact CD1-CB 3.92Å; F5-K137 HydrophobicContact CD1-CG 4.3Å; F5-K137 HydrophobicContact CE1-CB 3.61Å; F5-K137 HydrophobicContact CE1-CD 3.85Å; F5-K137 HydrophobicContact CE1-CG 3.63Å; F5-K137 HydrophobicContact CZ-CB 4.37Å; F5-K137 HydrophobicContact CZ-CD 4.04Å; F5-K137 HydrophobicContact CZ-CG 3.88Å
6T86.2Confident77.7Confident59 Ų5946.2 Ų46.236%0.36229%0.285SS..EExtended strand (participates in β ladder)trans-111.5119.3173.9-53.50000108.4A14 T136T6-A14 HydrophobicContact CG2-CB 3.74Å; T6-T136 PolarHBondContact N-OG1 3.26Å; T6-T136 WeakPolarHBondContact O-CB 3.45Å; T6-T136 PolarHBondContact O-OG1 3.17Å
7S81.6Confident78.5Confident1 Ų143.5 Ų43.51%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-90.9106.8170.6178.70000108.4S9 Y15 D70S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact OG-OG 3.17Å; S7-Y15 PolarHBondContact N-O 2.96Å; S7-Y15 PolarHBondContact O-N 2.94Å; S7-D70 PolarHBondContact OG-OD2 3.15Å
8S72.8Confident79.2Confident77 Ų7741.3 Ų41.354%0.53825%0.254SS..  trans-95.418.4174.869.70000112.2V10S8-V10 PolarHBondContact O-N 3.04Å
9S60.8Low79.8Confident18 Ų1839.5 Ų39.513%0.12624%0.243CC..  trans-61.2-33.7-172.5-52.90000112.3S7 E66 D70 R132S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact OG-OG 3.17Å; S9-E66 VanDerWaalsContact CB-OE2 3.31Å; S9-E66 WeakPolarHBondContact CB-OE2 3.44Å; S9-E66 VanDerWaalsContact O-OE2 3.04Å; S9-D70 PolarHBondContact OG-OD2 3.28Å; S9-R132 PolarHBondContact OG-NH1 2.82Å; S9-R132 PolarHBondContact OG-NH2 2.98Å
10V60.1Low80.2Confident41 Ų4137.8 Ų37.825%0.24823%0.232CC..SBendtrans-107.1121.7-177.8-171.30000109.2S8 S12 S13 P64 E66 V67S8-V10 PolarHBondContact O-N 3.04Å; V10-S12 PolarHBondContact O-N 3.37Å; V10-S13 PolarHBondContact O-N 3.17Å; V10-P64 HydrophobicContact CG1-CG 4.48Å; V10-P64 HydrophobicContact CG2-CB 3.6Å; V10-P64 HydrophobicContact CG2-CG 3.89Å; V10-E66 HydrophobicContact CG2-CB 4.4Å; V10-V67 HydrophobicContact CG2-CG2 4.14Å
11N57.1Low80.4Confident172 Ų17242.3 Ų42.392%0.9225%0.249SC*.THydrogen-bonded Turntrans-53.7-6.8-179.4-74.9-19.2000115.6
12S58.4Low80.5Confident105 Ų10545.2 Ų45.273%0.73427%0.265SS*.THydrogen-bonded Turntrans-106.3-17.2-171.2-67.60000115.9V10V10-S12 PolarHBondContact O-N 3.37Å
13S70.5Confident80.3Confident58 Ų5849.6 Ų49.641%0.40628%0.284SS..  trans-172.4143.1169.3-81.50000112.1V10 Y15 H55V10-S13 PolarHBondContact O-N 3.17Å; S13-Y15 PolarHBondContact O-N 3.18Å; S13-H55 VanDerWaalsContact CB-NE2 3.26Å; S13-H55 WeakPolarHBondContact CB-NE2 3.25Å
14A81.3Confident80Confident56 Ų5654.7 Ų54.746%0.46330%0.303SS..  trans-79.1113.8176.300000110.1T6T6-A14 HydrophobicContact CG2-CB 3.74Å
15Y86.9Confident79.6Confident11 Ų1156 Ų564%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-83136.7174.6-72.7-87.1000110.5S7 S13 L52 L54 H55 E58 P64 V67S7-Y15 PolarHBondContact N-O 2.96Å; S7-Y15 PolarHBondContact O-N 2.94Å; S13-Y15 PolarHBondContact O-N 3.18Å; Y15-L52 HydrophobicContact CD1-CD1 4.17Å; Y15-L52 HydrophobicContact CG-CD1 4.33Å; Y15-L54 HydrophobicContact CD1-CD2 4.45Å; Y15-L54 HydrophobicContact CE1-CD2 4.18Å; Y15-H55 AromaticContact CE1-CD2 3.78Å; Y15-H55 AromaticContact CE1-NE2 3.99Å; Y15-E58 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E58 PolarHBondContact OH-OE1 3.4Å; Y15-P64 HydrophobicContact CE2-CG 3.96Å; Y15-P64 WeakPolarHBondContact OH-CD 3.42Å; Y15-V67 HydrophobicContact CD2-CB 4.44Å; Y15-V67 HydrophobicContact CD2-CG1 4.21Å; Y15-V67 HydrophobicContact CD2-CG2 3.51Å; Y15-V67 HydrophobicContact CE2-CG2 3.91Å; Y15-V67 HydrophobicContact CG-CG1 3.97Å; Y15-V67 HydrophobicContact CG-CG2 4.14Å
16T89.4Confident79.3Confident51 Ų5156.5 Ų56.531%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-95.4116177.1-57.90000109.3Y4 R53Y4-T16 HydrophobicContact CD1-CG2 3.9Å; Y4-T16 HydrophobicContact CE1-CG2 4.44Å; T16-R53 PolarHBondContact O-N 3.44Å
17I91.6Very high79.2Confident0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-105.8139.5174.2-60.1162.3000107.1Y4 F5 V50 Y51 L52 D70 L74 L133Y4-I17 CarbonylContact C-O 3.45Å; Y4-I17 WeakPolarHBondContact CA-O 3.22Å; F5-I17 HydrophobicContact CB-CB 4.14Å; F5-I17 HydrophobicContact CD2-CG2 4.47Å; F5-I17 PolarHBondContact N-O 3.3Å; F5-I17 PolarHBondContact O-N 3.01Å; F5-I17 VanDerWaalsContact O-O 3.11Å; I17-V50 HydrophobicContact CG2-CG1 3.45Å; I17-V50 VanDerWaalsContact CG2-CG1 3.45Å; I17-Y51 CarbonylContact C-O 3.5Å; I17-Y51 VanDerWaalsContact CA-O 3.3Å; I17-Y51 WeakPolarHBondContact CA-O 3.16Å; I17-L52 HydrophobicContact CG1-CD1 3.68Å; I17-D70 HydrophobicContact CD1-CB 4.44Å; I17-L74 HydrophobicContact CG2-CD2 3.79Å; I17-L133 HydrophobicContact CD1-CD2 4.35Å
18Y91.5Very high79.3Confident4 Ų458 Ų582%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-143.6153.6175.961.3-89.6000112.1V2 F3 Y4 L29 D37 Y51 R53V2-Y18 HydrophobicContact CG1-CD2 4.21Å; F3-Y18 CarbonylContact O-C 3.59Å; F3-Y18 WeakPolarHBondContact O-CA 3.07Å; F3-Y18 WeakPolarHBondContact O-CB 3.43Å; Y4-Y18 HydrophobicContact CE1-CD1 4.46Å; Y4-Y18 HydrophobicContact CE1-CG 4.27Å; Y18-L29 HydrophobicContact CD2-CD1 4.37Å; Y18-L29 HydrophobicContact CD2-CD2 3.92Å; Y18-L29 HydrophobicContact CE2-CD2 3.72Å; Y18-D37 PolarHBondContact OH-OD2 3.19Å; Y18-Y51 AromaticContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CG 4.08Å; Y18-Y51 HydrophobicContact CE2-CD1 4.21Å; Y18-Y51 AromaticContact CE2-CD2 3.61Å; Y18-Y51 HydrophobicContact CE2-CD2 3.61Å; Y18-Y51 AromaticContact CE2-CG 3.43Å; Y18-Y51 HydrophobicContact CE2-CG 3.43Å; Y18-Y51 VanDerWaalsContact CE2-CG 3.43Å; Y18-Y51 AromaticContact CZ-CG 3.8Å; Y18-Y51 PolarHBondContact N-O 3.32Å; Y18-Y51 PolarHBondContact O-N 2.88Å; Y18-R53 HydrophobicContact CE1-CB 4.33Å
19M90.9Very high79.9Confident8 Ų854.5 Ų54.54%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-144.6146.7175.574.1173.1106.100111.2V2 F3 F5 A48 H49 V50 L74V2-M19 WeakPolarHBondContact CA-O 3.48Å; F3-M19 HydrophobicContact CB-CG 4Å; F3-M19 HydrophobicContact CD2-CG 4.03Å; F3-M19 PolarHBondContact N-O 3.34Å; F3-M19 PolarHBondContact O-N 3.12Å; F5-M19 HydrophobicContact CD2-CE 4.27Å; F5-M19 HydrophobicContact CE2-CE 3.26Å; F5-M19 HydrophobicContact CE2-CG 4.16Å; F5-M19 HydrophobicContact CZ-CE 3.42Å; F5-M19 VanDerWaalsContact CZ-CE 3.42Å; M19-A48 HydrophobicContact SD-CB 4.27Å; M19-H49 VanDerWaalsContact CB-O 3.28Å; M19-H49 WeakPolarHBondContact CB-O 3.4Å; M19-V50 HydrophobicContact CB-CG2 4.12Å; M19-V50 HydrophobicContact SD-CG2 4.46Å; M19-L74 HydrophobicContact CE-CD1 3.61Å; M19-L74 HydrophobicContact CE-CD2 3.61Å; M19-L74 HydrophobicContact CE-CG 3.53Å
20G86.9Confident81.1Confident4 Ų454.3 Ų54.34%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-75145.4173.400000111.3D22 N26G20-D22 VanDerWaalsContact C-N 3.3Å; G20-N26 VanDerWaalsContact CA-OD1 3.24Å; G20-N26 WeakPolarHBondContact CA-OD1 3.33Å; G20-N26 PolarHBondContact N-OD1 2.94Å
21K84.9Confident82.1Confident133 Ų13358 Ų5858%0.57830%0.304SS*.SBendtrans-64.6-36.6175.5-175.7-169.6-171170.90112.4M1 F3M1-K21 HydrophobicContact CB-CB 4.09Å; M1-K21 HydrophobicContact CB-CD 4.1Å; M1-K21 HydrophobicContact CE-CB 4.36Å; M1-K21 HydrophobicContact CE-CD 3.6Å; M1-K21 HydrophobicContact CE-CG 4.04Å; M1-K21 HydrophobicContact CG-CD 4.41Å; M1-K21 WeakPolarHBondContact O-CB 3.39Å; M1-K21 PolarHBondContact O-N 2.85Å; M1-K21 HydrophobicContact SD-CD 3.82Å; F3-K21 HydrophobicContact CE2-CB 3.94Å; F3-K21 HydrophobicContact CE2-CG 4.04Å; F3-K21 HydrophobicContact CZ-CG 4.32Å
22D83.6Confident83.4Confident84 Ų8452.4 Ų52.445%0.44927%0.272SS..SBendtrans-145.9168.3-173.7-165.914.2000110.7G20 Y24 E25 N26G20-D22 VanDerWaalsContact C-N 3.3Å; D22-Y24 PolarHBondContact O-N 3.45Å; D22-E25 WeakPolarHBondContact O-CB 3.37Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.13Å; D22-N26 PolarHBondContact O-N 2.69Å; D22-N26 VanDerWaalsContact O-N 3.11Å
23K81.8Confident84.5Confident92 Ų9247.5 Ų47.540%0.424%0.238SC..Hα-helixtrans-55.8-31.6-177.667.4-177.3178.4179.60114N26 E27 V106K23-N26 PolarHBondContact O-N 3.48Å; K23-E27 PolarHBondContact O-N 3.35Å; K23-V106 HydrophobicContact CB-CG1 3.9Å; K23-V106 HydrophobicContact CD-CB 4.27Å; K23-V106 HydrophobicContact CD-CG1 3.89Å; K23-V106 HydrophobicContact CG-CG1 3.69Å
24Y83.1Confident85.2Confident138 Ų13847.1 Ų47.154%0.54123%0.228SC..Hα-helixtrans-68.5-44178.1-61.6-77.8000111.8D22 N26 E27 D28D22-Y24 PolarHBondContact O-N 3.45Å; Y24-N26 VanDerWaalsContact C-N 3.26Å; Y24-N26 PolarHBondContact O-N 3.19Å; Y24-E27 WeakPolarHBondContact O-CB 3.27Å; Y24-E27 PolarHBondContact O-N 3.24Å; Y24-E27 VanDerWaalsContact O-N 3.15Å; Y24-D28 PolarHBondContact O-N 3.41Å
25E83.5Confident85.3Confident62 Ų6248 Ų4829%0.2923%0.229SC..Hα-helixtrans-65.6-35176.3-54.5-64.817900111M1 D22 E27 D28 L29M1-E25 PolarHBondContact N-OE1 2.99Å; M1-E25 PolarHBondContact N-OE2 3.43Å; D22-E25 WeakPolarHBondContact O-CB 3.37Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.13Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 2.94Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.25Å
26N83.6Confident85.3Confident12 Ų1249.1 Ų49.16%0.06424%0.235CC..Hα-helixtrans-62.9-37.6174.7-65.8-19.5000111.6G20 D22 K23 Y24 D28 L29 I30G20-N26 VanDerWaalsContact CA-OD1 3.24Å; G20-N26 WeakPolarHBondContact CA-OD1 3.33Å; G20-N26 PolarHBondContact N-OD1 2.94Å; D22-N26 PolarHBondContact O-N 2.69Å; D22-N26 VanDerWaalsContact O-N 3.11Å; K23-N26 PolarHBondContact O-N 3.48Å; Y24-N26 VanDerWaalsContact C-N 3.26Å; Y24-N26 PolarHBondContact O-N 3.19Å; N26-D28 VanDerWaalsContact C-N 3.32Å; N26-D28 PolarHBondContact O-N 2.85Å; N26-L29 PolarHBondContact O-N 2.94Å; N26-I30 VanDerWaalsContact O-CD1 3.22Å; N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 WeakPolarHBondContact O-CG1 3.35Å; N26-I30 PolarHBondContact O-N 3.18Å
27E83.2Confident85.4Confident28 Ų2846.7 Ų46.713%0.13122%0.22CC..Hα-helixtrans-62.6-40.7175.1-67.7-72.8137.800111.6K23 Y24 E25 I30 K31 K100 V106 G107K23-E27 PolarHBondContact O-N 3.35Å; Y24-E27 WeakPolarHBondContact O-CB 3.27Å; Y24-E27 PolarHBondContact O-N 3.24Å; Y24-E27 VanDerWaalsContact O-N 3.15Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.41Å; E27-I30 PolarHBondContact O-N 3.3Å; E27-K31 VanDerWaalsContact O-CG 3.3Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.39Å; E27-K100 WeakPolarHBondContact OE1-CE 3.36Å; E27-K100 IonicContact OE1-NZ 3.44Å; E27-K100 PolarHBondContact OE1-NZ 2.79Å; E27-K100 WeakPolarHBondContact OE2-CE 3.26Å; E27-K100 IonicContact OE2-NZ 3.17Å; E27-V106 HydrophobicContact CG-CG1 3.77Å; E27-G107 PolarHBondContact OE1-N 3.06Å
28D83.5Confident85.5Confident65 Ų6546.9 Ų46.935%0.34822%0.221SC..Hα-helixtrans-71.4-38.1178.1-66.1-29.7000111.8Y24 E25 N26 I30 K31 H32 L144Y24-D28 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 2.94Å; N26-D28 VanDerWaalsContact C-N 3.32Å; N26-D28 PolarHBondContact O-N 2.85Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 3.37Å; D28-K31 PolarHBondContact O-N 2.92Å; D28-K31 IonicContact OD1-NZ 3.28Å; D28-H32 WeakPolarHBondContact O-CB 3.41Å; D28-H32 PolarHBondContact O-CD2 2.92Å; D28-H32 VanDerWaalsContact O-CD2 3.24Å; D28-H32 PolarHBondContact O-N 3.1Å; D28-L144 HydrophobicContact CB-CD1 4.17Å
29L85.4Confident85.6Confident2 Ų247 Ų471%0.0122%0.221CC..Hα-helixtrans-62-37.3171.3-68.8170.3000112V2 Y18 E25 N26 G33 Y51 L144V2-L29 HydrophobicContact CG1-CD1 4.49Å; V2-L29 HydrophobicContact CG1-CD2 4.38Å; V2-L29 HydrophobicContact CG2-CD1 4.33Å; V2-L29 HydrophobicContact CG2-CD2 4.08Å; V2-L29 HydrophobicContact CG2-CG 4.47Å; Y18-L29 HydrophobicContact CD2-CD1 4.37Å; Y18-L29 HydrophobicContact CD2-CD2 3.92Å; Y18-L29 HydrophobicContact CE2-CD2 3.72Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.25Å; N26-L29 PolarHBondContact O-N 2.94Å; L29-G33 WeakPolarHBondContact O-CA 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å; L29-Y51 HydrophobicContact CB-CE2 3.94Å; L29-Y51 HydrophobicContact CD1-CD2 4.21Å; L29-Y51 HydrophobicContact CD1-CE2 3.85Å; L29-L144 HydrophobicContact CD2-CD1 3.42Å; L29-L144 VanDerWaalsContact CD2-CD1 3.42Å; L29-L144 HydrophobicContact CD2-CD2 3.66Å; L29-L144 HydrophobicContact CD2-CG 4.19Å; L29-L144 HydrophobicContact CG-CD1 3.87Å
30I85.3Confident85.7Confident15 Ų1546.6 Ų46.68%0.07722%0.219CC..Hα-helixtrans-67.8-41.7174.8-64.8155.6000110.5N26 E27 D28 Y51 W95 I109N26-I30 VanDerWaalsContact O-CD1 3.22Å; N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 WeakPolarHBondContact O-CG1 3.35Å; N26-I30 PolarHBondContact O-N 3.18Å; E27-I30 PolarHBondContact O-N 3.3Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 3.37Å; I30-Y51 VanDerWaalsContact CG1-OH 3.26Å; I30-Y51 WeakPolarHBondContact CG1-OH 3.22Å; I30-W95 WeakPolarHBondContact O-CZ2 3.41Å; I30-W95 PolarHBondContact O-NE1 3.42Å; I30-I109 HydrophobicContact CD1-CD1 3.37Å; I30-I109 HydrophobicContact CD1-CG1 3.83Å; I30-I109 HydrophobicContact CG1-CD1 3.97Å
31K82.7Confident86Confident118 Ų11848.1 Ų48.151%0.51323%0.225SC..Hα-helixtrans-68-37.7179.3-71.3168-170.3166.80112.5E27 D28 K148E27-K31 VanDerWaalsContact O-CG 3.3Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 3.39Å; D28-K31 PolarHBondContact O-N 2.92Å; D28-K31 IonicContact OD1-NZ 3.28Å; K31-K148 PolarHBondContact O-NZ 3.48Å
32H82.6Confident86.3Confident54 Ų5441.8 Ų41.825%0.2520%0.198CC..Hα-helixtrans-107.39.3-171.3-60.6-71000114.5D28 L144 K148D28-H32 WeakPolarHBondContact O-CB 3.41Å; D28-H32 PolarHBondContact O-CD2 2.92Å; D28-H32 VanDerWaalsContact O-CD2 3.24Å; D28-H32 PolarHBondContact O-N 3.1Å; H32-L144 HydrophobicContact CB-CB 3.81Å; H32-K148 HydrophobicContact CB-CB 4.42Å; H32-K148 HydrophobicContact CB-CD 4.1Å
33G82.5Confident86.6Confident3 Ų340.2 Ų40.23%0.03119%0.189CC..  trans-62.8156175.300000113L29 W95L29-G33 WeakPolarHBondContact O-CA 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å; G33-W95 WeakPolarHBondContact O-CZ2 3.44Å
34W84.9Confident86.6Confident49 Ų4944.9 Ų44.919%0.18621%0.209CC..  trans-94.1153.9-179.8-64.47.6000110.2E36 D37 R53 W95W34-E36 PolarHBondContact O-N 2.9Å; W34-E36 VanDerWaalsContact O-N 3.16Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.46Å; W34-D37 WeakPolarHBondContact O-CB 3.45Å; W34-D37 PolarHBondContact O-N 3.37Å; W34-R53 VanDerWaalsContact CD2-CZ 3.46Å; W34-W95 WeakPolarHBondContact O-CB 3.34Å
35P83.8Confident86.8Confident74 Ų7439.7 Ų39.748%0.48119%0.191SC..THydrogen-bonded Turntrans-62.1-21.7176.625.4-35.2000113.6D37P35-D37 VanDerWaalsContact C-N 3.32Å
36E87Confident86.9Confident36 Ų3640.9 Ų40.917%0.16821%0.206CC..THydrogen-bonded Turntrans-84-7.5177.2-68.4157.1-178.600112.7W34 L54 K56 R151W34-E36 PolarHBondContact O-N 2.9Å; W34-E36 VanDerWaalsContact O-N 3.16Å; E36-L54 WeakPolarHBondContact O-CB 3.46Å; E36-L54 WeakPolarHBondContact O-CG 3.39Å; E36-L54 PolarHBondContact O-N 3.06Å; E36-K56 WeakPolarHBondContact OE1-CG 3.48Å; E36-R151 IonicContact OE1-NH2 3.77Å; E36-R151 PolarHBondContact OE1-NH2 3.25Å; E36-R151 VanDerWaalsContact OE1-NH2 3.14Å; E36-R151 IonicContact OE2-NH2 3.94Å; E36-R151 PolarHBondContact OE2-NH2 3.44Å
37D91.1Very high87.1Confident0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-82.7137.1-177.9-64.2-30.3000110.4Y18 W34 P35 L52 R53 W95Y18-D37 PolarHBondContact OH-OD2 3.19Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.46Å; W34-D37 WeakPolarHBondContact O-CB 3.45Å; W34-D37 PolarHBondContact O-N 3.37Å; P35-D37 VanDerWaalsContact C-N 3.32Å; D37-L52 CarbonylContact C-O 3.5Å; D37-L52 WeakPolarHBondContact CA-O 3.42Å; D37-R53 WeakPolarHBondContact OD1-CA 3.31Å; D37-R53 WeakPolarHBondContact OD1-CB 3.44Å; D37-R53 WeakPolarHBondContact OD1-CG 3.35Å; D37-R53 IonicContact OD1-CZ 3.69Å; D37-R53 IonicContact OD1-NE 2.79Å; D37-R53 PolarHBondContact OD1-NE 2.83Å; D37-R53 IonicContact OD1-NH2 3.98Å; D37-R53 IonicContact OD2-CZ 2.82Å; D37-R53 IonicContact OD2-NE 3.67Å; D37-R53 IonicContact OD2-NH2 2.64Å; D37-R53 PolarHBondContact OD2-NH2 3.49Å; D37-R53 VanDerWaalsContact OD2-NH2 3.15Å; D37-W95 HydrophobicContact CB-CB 4.23Å; D37-W95 WeakPolarHBondContact O-CB 3.41Å; D37-W95 PolarHBondContact O-N 2.91Å
38I92.7Very high87.3Confident4 Ų440.7 Ų40.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-107.6127.1174.6-54.2-60.1000108.3F40 Y51 L52 L54 I60 I63 Y92 P94I38-F40 HydrophobicContact CB-CE2 3.93Å; I38-F40 HydrophobicContact CG2-CD2 4.18Å; I38-F40 HydrophobicContact CG2-CE2 3.51Å; I38-F40 HydrophobicContact CG2-CZ 3.89Å; I38-Y51 CarbonylContact O-C 3.4Å; I38-Y51 VanDerWaalsContact O-CA 3.28Å; I38-Y51 WeakPolarHBondContact O-CA 3.29Å; I38-L52 HydrophobicContact CB-CB 4.39Å; I38-L52 PolarHBondContact N-O 2.87Å; I38-L52 PolarHBondContact O-N 2.86Å; I38-L54 HydrophobicContact CD1-CD1 3.86Å; I38-L54 HydrophobicContact CG1-CD1 3.64Å; I38-L54 HydrophobicContact CG1-CD2 4.42Å; I38-L54 HydrophobicContact CG1-CG 3.91Å; I38-I60 HydrophobicContact CD1-CB 4.19Å; I38-I60 HydrophobicContact CD1-CD1 4.33Å; I38-I60 HydrophobicContact CD1-CG1 4.28Å; I38-I60 HydrophobicContact CG2-CD1 4.27Å; I38-I63 HydrophobicContact CG1-CD1 4Å; I38-Y92 HydrophobicContact CG2-CD2 4.22Å; I38-P94 HydrophobicContact CD1-CB 4Å
39W93.7Very high87.6Confident5 Ų538 Ų382%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-94.3139.7178.9176.681.6000111H41 H49 Y51 V91 Y92 T93 L98 I109 F111W39-H41 HydrophobicContact CD2-CB 4.46Å; W39-H41 HydrophobicContact CE3-CB 4.22Å; W39-H41 HydrophobicContact CH2-CB 3.07Å; W39-H41 AromaticContact CH2-CG 3.56Å; W39-H41 AromaticContact CH2-ND1 3.99Å; W39-H41 HydrophobicContact CZ2-CB 3.28Å; W39-H41 AromaticContact CZ2-CG 3.71Å; W39-H41 HydrophobicContact CZ3-CB 3.54Å; W39-H49 AromaticContact CZ2-CD2 3.96Å; W39-H49 AromaticContact CZ2-NE2 3.91Å; W39-H49 AromaticContact NE1-CD2 3.94Å; W39-H49 AromaticContact NE1-CG 3.34Å; W39-H49 VanDerWaalsContact NE1-CG 3.34Å; W39-H49 AromaticContact NE1-ND1 3.48Å; W39-H49 PolarHBondContact NE1-ND1 3.41Å; W39-Y51 HydrophobicContact CB-CD1 4.34Å; W39-Y51 HydrophobicContact CB-CE1 4.34Å; W39-Y51 AromaticContact CD1-CD1 3.97Å; W39-Y51 AromaticContact CD1-CE1 3.4Å; W39-Y51 VanDerWaalsContact CD1-CE1 3.4Å; W39-Y51 AromaticContact CD1-CZ 3.56Å; W39-Y51 HydrophobicContact CG-CE1 4.24Å; W39-V91 HydrophobicContact CH2-CG2 4.48Å; W39-V91 HydrophobicContact CZ3-CG2 3.94Å; W39-Y92 CarbonylContact O-C 3.53Å; W39-Y92 WeakPolarHBondContact O-CA 3.41Å; W39-T93 HydrophobicContact CE3-CG2 4.04Å; W39-T93 PolarHBondContact N-O 3.34Å; W39-T93 PolarHBondContact O-N 3.41Å; W39-L98 HydrophobicContact CB-CD1 3.83Å; W39-L98 HydrophobicContact CB-CD2 4.14Å; W39-L98 HydrophobicContact CB-CG 4.4Å; W39-L98 HydrophobicContact CD2-CD1 4.41Å; W39-L98 HydrophobicContact CD2-CD2 3.92Å; W39-L98 HydrophobicContact CE3-CD2 3.92Å; W39-L98 HydrophobicContact CG-CD1 3.84Å; W39-L98 HydrophobicContact CG-CD2 4.08Å; W39-I109 HydrophobicContact CZ2-CB 4.46Å; W39-I109 HydrophobicContact CZ2-CD1 3.65Å; W39-F111 HydrophobicContact CE3-CE1 4.14Å; W39-F111 HydrophobicContact CH2-CE1 4.23Å; W39-F111 HydrophobicContact CH2-CZ 4.08Å; W39-F111 AromaticContact CZ3-CE1 3.58Å; W39-F111 HydrophobicContact CZ3-CE1 3.58Å; W39-F111 AromaticContact CZ3-CZ 3.63Å; W39-F111 HydrophobicContact CZ3-CZ 3.63Å
40F94Very high87.9Confident1 Ų138 Ų380%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-127.5141.6179.6-66.2-104.1000111.7I38 V50 L52 L68 C71 V75 V90 V91 Y92I38-F40 HydrophobicContact CB-CE2 3.93Å; I38-F40 HydrophobicContact CG2-CD2 4.18Å; I38-F40 HydrophobicContact CG2-CE2 3.51Å; I38-F40 HydrophobicContact CG2-CZ 3.89Å; F40-V50 HydrophobicContact CB-CB 4.26Å; F40-V50 PolarHBondContact N-O 2.83Å; F40-V50 PolarHBondContact O-N 2.88Å; F40-L52 HydrophobicContact CD2-CB 4.45Å; F40-L52 HydrophobicContact CE2-CB 3.72Å; F40-L52 HydrophobicContact CE2-CD2 4.2Å; F40-L52 HydrophobicContact CZ-CD2 4.3Å; F40-L68 HydrophobicContact CE1-CD1 3.61Å; F40-L68 HydrophobicContact CZ-CD1 3.86Å; F40-C71 HydrophobicContact CD1-CB 3.97Å; F40-C71 HydrophobicContact CD2-CB 4.24Å; F40-C71 HydrophobicContact CE1-CB 3.86Å; F40-C71 HydrophobicContact CE2-CB 4.14Å; F40-C71 HydrophobicContact CG-CB 4.18Å; F40-C71 HydrophobicContact CZ-CB 3.96Å; F40-V75 HydrophobicContact CB-CG2 3.65Å; F40-V90 HydrophobicContact CB-CG1 4.43Å; F40-V90 HydrophobicContact CD1-CG1 4.17Å; F40-V91 WeakPolarHBondContact CA-O 3.37Å; F40-Y92 HydrophobicContact CD1-CG 4.17Å; F40-Y92 HydrophobicContact CE1-CD1 4.33Å; F40-Y92 HydrophobicContact CE1-CD2 4.16Å; F40-Y92 AromaticContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CZ-CD2 4.29Å; F40-Y92 HydrophobicContact CZ-CG 4.26Å
41H92.3Very high88.3Confident35 Ų3537.2 Ų37.216%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-158155.3178.1-178.6-101.2000111.4W39 L45 S47 H49 V90 V91W39-H41 HydrophobicContact CD2-CB 4.46Å; W39-H41 HydrophobicContact CE3-CB 4.22Å; W39-H41 HydrophobicContact CH2-CB 3.07Å; W39-H41 AromaticContact CH2-CG 3.56Å; W39-H41 AromaticContact CH2-ND1 3.99Å; W39-H41 HydrophobicContact CZ2-CB 3.28Å; W39-H41 AromaticContact CZ2-CG 3.71Å; W39-H41 HydrophobicContact CZ3-CB 3.54Å; H41-L45 PolarHBondContact CE1-O 3.47Å; H41-L45 PolarHBondContact NE2-O 3.34Å; H41-S47 PolarHBondContact CD2-OG 3.19Å; H41-S47 PolarHBondContact NE2-OG 3.47Å; H41-H49 AromaticContact CD2-CD2 3.57Å; H41-H49 AromaticContact CD2-NE2 3.79Å; H41-V90 CarbonylContact O-C 3.55Å; H41-V90 WeakPolarHBondContact O-CA 3.44Å; H41-V90 WeakPolarHBondContact O-CG1 3.46Å; H41-V91 HydrophobicContact CB-CG2 3.99Å; H41-V91 PolarHBondContact N-O 2.99Å; H41-V91 WeakPolarHBondContact O-CG2 3.17Å; H41-V91 PolarHBondContact O-N 3.44Å
42V91.5Very high88.7Confident1 Ų131.6 Ų31.61%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-75.9130.7173.3-176.70000110.8K44 L45 S47 V75 V88V42-K44 PolarHBondContact O-N 2.99Å; V42-L45 HydrophobicContact CB-CB 4.21Å; V42-L45 HydrophobicContact CG1-CB 3.76Å; V42-L45 HydrophobicContact CG1-CD1 3.79Å; V42-L45 HydrophobicContact CG1-CG 4.08Å; V42-S47 WeakPolarHBondContact CB-OG 3.35Å; V42-S47 PolarHBondContact N-OG 2.73Å; V42-V75 HydrophobicContact CG2-CG1 3.61Å; V42-V88 HydrophobicContact CB-CG1 4.37Å; V42-V88 HydrophobicContact CG1-CG1 3.29Å; V42-V88 HydrophobicContact CG2-CG1 4.15Å
43D89.7Confident89Confident51 Ų5131.1 Ų31.127%0.27316%0.163SC..THydrogen-bonded Turntrans-60129.9174.4-171.135.3000110.9L45 N89 V91D43-L45 PolarHBondContact O-N 2.9Å; D43-N89 HydrophobicContact CB-CB 4.03Å; D43-N89 PolarHBondContact N-O 2.92Å; D43-V91 HydrophobicContact CB-CG1 4.05Å
44K83.5Confident89.3Confident189 Ų18931.3 Ų31.382%0.82216%0.163SC*.THydrogen-bonded Turntrans61.22.6174.5-58.5163.9-171.9172.80117.2V42V42-K44 PolarHBondContact O-N 2.99Å
45L86.5Confident89.3Confident30 Ų3032.3 Ų32.316%0.15717%0.17CC..SBendtrans-120.4149.6-178.5-61.5175.9000110.9H41 V42 D43 S47 Q81 M85H41-L45 PolarHBondContact CE1-O 3.47Å; H41-L45 PolarHBondContact NE2-O 3.34Å; V42-L45 HydrophobicContact CB-CB 4.21Å; V42-L45 HydrophobicContact CG1-CB 3.76Å; V42-L45 HydrophobicContact CG1-CD1 3.79Å; V42-L45 HydrophobicContact CG1-CG 4.08Å; D43-L45 PolarHBondContact O-N 2.9Å; L45-S47 PolarHBondContact O-N 2.98Å; L45-Q81 HydrophobicContact CD2-CB 4.15Å; L45-Q81 VanDerWaalsContact CD2-OE1 3.25Å; L45-M85 HydrophobicContact CD1-SD 3.78Å
46S85.5Confident89.1Confident86 Ų8636.9 Ų36.960%0.60118%0.182SC*.  trans-68.7118.7171.5-1760000109.6S79S46-S79 PolarHBondContact O-OG 3.1Å
47S86.9Confident88.8Confident15 Ų1538.4 Ų38.411%0.10521%0.207CC..BIsolated β-bridgetrans-146.9159-179.964.30000111.8H41 V42 L45H41-S47 PolarHBondContact CD2-OG 3.19Å; H41-S47 PolarHBondContact NE2-OG 3.47Å; V42-S47 WeakPolarHBondContact CB-OG 3.35Å; V42-S47 PolarHBondContact N-OG 2.73Å; L45-S47 PolarHBondContact O-N 2.98Å
48A88.7Confident88.4Confident22 Ų2240.8 Ų40.818%0.18222%0.218CC..  trans-63.2146.9172.400000111.3M19 N78M19-A48 HydrophobicContact SD-CB 4.27Å; A48-N78 HydrophobicContact CB-CB 3.65Å; A48-N78 PolarHBondContact N-O 3.44Å
49H89.7Confident87.9Confident9 Ų945.3 Ų45.34%0.04224%0.243CC..  trans-85.2116.4173.1-66.2-178.2000108.7M19 W39 H41 Y51 G107 I109M19-H49 VanDerWaalsContact CB-O 3.28Å; M19-H49 WeakPolarHBondContact CB-O 3.4Å; W39-H49 AromaticContact CZ2-CD2 3.96Å; W39-H49 AromaticContact CZ2-NE2 3.91Å; W39-H49 AromaticContact NE1-CD2 3.94Å; W39-H49 AromaticContact NE1-CG 3.34Å; W39-H49 VanDerWaalsContact NE1-CG 3.34Å; W39-H49 AromaticContact NE1-ND1 3.48Å; W39-H49 PolarHBondContact NE1-ND1 3.41Å; H41-H49 AromaticContact CD2-CD2 3.57Å; H41-H49 AromaticContact CD2-NE2 3.79Å; H49-Y51 HydrophobicContact CB-CE2 3.8Å; H49-G107 PolarHBondContact CE1-O 2.94Å; H49-G107 VanDerWaalsContact CE1-O 3.32Å; H49-I109 WeakPolarHBondContact CE1-CD1 3.35Å; H49-I109 WeakPolarHBondContact ND1-CD1 3.5Å
50V92Very high87.5Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-106.2139.8175.9178.10000108.4I17 M19 F40 L74 V75I17-V50 HydrophobicContact CG2-CG1 3.45Å; I17-V50 VanDerWaalsContact CG2-CG1 3.45Å; M19-V50 HydrophobicContact CB-CG2 4.12Å; M19-V50 HydrophobicContact SD-CG2 4.46Å; F40-V50 HydrophobicContact CB-CB 4.26Å; F40-V50 PolarHBondContact N-O 2.83Å; F40-V50 PolarHBondContact O-N 2.88Å; V50-L74 HydrophobicContact CG1-CD2 4.1Å; V50-L74 HydrophobicContact CG2-CD2 4.34Å; V50-L74 HydrophobicContact CG2-CG 4.36Å; V50-V75 HydrophobicContact CB-CG2 3.51Å; V50-V75 HydrophobicContact CG1-CG2 4.36Å; V50-V75 HydrophobicContact CG2-CB 4.33Å; V50-V75 HydrophobicContact CG2-CG2 3.37Å
51Y92.3Very high87Confident0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-122.1138.4179.4-57.9-97.2000109I17 Y18 L29 I30 I38 W39 H49I17-Y51 CarbonylContact C-O 3.5Å; I17-Y51 VanDerWaalsContact CA-O 3.3Å; I17-Y51 WeakPolarHBondContact CA-O 3.16Å; Y18-Y51 AromaticContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CD2 3.92Å; Y18-Y51 HydrophobicContact CD2-CG 4.08Å; Y18-Y51 HydrophobicContact CE2-CD1 4.21Å; Y18-Y51 AromaticContact CE2-CD2 3.61Å; Y18-Y51 HydrophobicContact CE2-CD2 3.61Å; Y18-Y51 AromaticContact CE2-CG 3.43Å; Y18-Y51 HydrophobicContact CE2-CG 3.43Å; Y18-Y51 VanDerWaalsContact CE2-CG 3.43Å; Y18-Y51 AromaticContact CZ-CG 3.8Å; Y18-Y51 PolarHBondContact N-O 3.32Å; Y18-Y51 PolarHBondContact O-N 2.88Å; L29-Y51 HydrophobicContact CB-CE2 3.94Å; L29-Y51 HydrophobicContact CD1-CD2 4.21Å; L29-Y51 HydrophobicContact CD1-CE2 3.85Å; I30-Y51 VanDerWaalsContact CG1-OH 3.26Å; I30-Y51 WeakPolarHBondContact CG1-OH 3.22Å; I38-Y51 CarbonylContact O-C 3.4Å; I38-Y51 VanDerWaalsContact O-CA 3.28Å; I38-Y51 WeakPolarHBondContact O-CA 3.29Å; W39-Y51 HydrophobicContact CB-CD1 4.34Å; W39-Y51 HydrophobicContact CB-CE1 4.34Å; W39-Y51 AromaticContact CD1-CD1 3.97Å; W39-Y51 AromaticContact CD1-CE1 3.4Å; W39-Y51 VanDerWaalsContact CD1-CE1 3.4Å; W39-Y51 AromaticContact CD1-CZ 3.56Å; W39-Y51 HydrophobicContact CG-CE1 4.24Å; H49-Y51 HydrophobicContact CB-CE2 3.8Å
52L91.8Very high86.7Confident0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-115.6123.4174.1172.667.3000108.1Y15 I17 D37 I38 F40 L54 I63 V67Y15-L52 HydrophobicContact CD1-CD1 4.17Å; Y15-L52 HydrophobicContact CG-CD1 4.33Å; I17-L52 HydrophobicContact CG1-CD1 3.68Å; D37-L52 CarbonylContact C-O 3.5Å; D37-L52 WeakPolarHBondContact CA-O 3.42Å; I38-L52 HydrophobicContact CB-CB 4.39Å; I38-L52 PolarHBondContact N-O 2.87Å; I38-L52 PolarHBondContact O-N 2.86Å; F40-L52 HydrophobicContact CD2-CB 4.45Å; F40-L52 HydrophobicContact CE2-CB 3.72Å; F40-L52 HydrophobicContact CE2-CD2 4.2Å; F40-L52 HydrophobicContact CZ-CD2 4.3Å; L52-L54 HydrophobicContact CD2-CD2 3.97Å; L52-L54 HydrophobicContact CG-CD2 4.17Å; L52-I63 HydrophobicContact CD2-CD1 4.05Å; L52-I63 HydrophobicContact CD2-CG2 3.85Å; L52-V67 HydrophobicContact CD1-CG1 3.69Å; L52-V67 HydrophobicContact CD2-CG1 3.91Å; L52-V67 HydrophobicContact CG-CG1 4.49Å
53R89.3Confident86.4Confident44 Ų4457 Ų5717%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-87.8116.2174.1-176.3157.4-68.7171.8-0110.1T16 Y18 W34 D37T16-R53 PolarHBondContact O-N 3.44Å; Y18-R53 HydrophobicContact CE1-CB 4.33Å; W34-R53 VanDerWaalsContact CD2-CZ 3.46Å; D37-R53 WeakPolarHBondContact OD1-CA 3.31Å; D37-R53 WeakPolarHBondContact OD1-CB 3.44Å; D37-R53 WeakPolarHBondContact OD1-CG 3.35Å; D37-R53 IonicContact OD1-CZ 3.69Å; D37-R53 IonicContact OD1-NE 2.79Å; D37-R53 PolarHBondContact OD1-NE 2.83Å; D37-R53 IonicContact OD1-NH2 3.98Å; D37-R53 IonicContact OD2-CZ 2.82Å; D37-R53 IonicContact OD2-NE 3.67Å; D37-R53 IonicContact OD2-NH2 2.64Å; D37-R53 PolarHBondContact OD2-NH2 3.49Å; D37-R53 VanDerWaalsContact OD2-NH2 3.15Å
54L88.6Confident86.3Confident7 Ų756.1 Ų56.14%0.03730%0.298CS..PPolyproline II helixtrans-80.6159.5173.4-59.1-178.4000111.5Y15 E36 I38 L52 E58 I63Y15-L54 HydrophobicContact CD1-CD2 4.45Å; Y15-L54 HydrophobicContact CE1-CD2 4.18Å; E36-L54 WeakPolarHBondContact O-CB 3.46Å; E36-L54 WeakPolarHBondContact O-CG 3.39Å; E36-L54 PolarHBondContact O-N 3.06Å; I38-L54 HydrophobicContact CD1-CD1 3.86Å; I38-L54 HydrophobicContact CG1-CD1 3.64Å; I38-L54 HydrophobicContact CG1-CD2 4.42Å; I38-L54 HydrophobicContact CG1-CG 3.91Å; L52-L54 HydrophobicContact CD2-CD2 3.97Å; L52-L54 HydrophobicContact CG-CD2 4.17Å; L54-E58 HydrophobicContact CB-CB 4.15Å; L54-E58 HydrophobicContact CD1-CB 4.45Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD1-CG1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 3.94Å; L54-I63 HydrophobicContact CD2-CG1 3.69Å
55H83.7Confident86.4Confident70 Ų7055.5 Ų55.532%0.32430%0.296SS..PPolyproline II helixtrans-73.2154.5170.3-59.2-68.2000110.4S13 Y15 G57 E58S13-H55 VanDerWaalsContact CB-NE2 3.26Å; S13-H55 WeakPolarHBondContact CB-NE2 3.25Å; Y15-H55 AromaticContact CE1-CD2 3.78Å; Y15-H55 AromaticContact CE1-NE2 3.99Å; H55-G57 PolarHBondContact O-N 3.2Å; H55-E58 HydrophobicContact CB-CG 4.19Å; H55-E58 WeakPolarHBondContact CB-OE2 3.33Å; H55-E58 IonicContact CD2-OE1 3.92Å; H55-E58 IonicContact CD2-OE2 3.13Å; H55-E58 PolarHBondContact CD2-OE2 3.4Å; H55-E58 VanDerWaalsContact CD2-OE2 3.26Å; H55-E58 IonicContact CG-OE2 3.83Å; H55-E58 PolarHBondContact N-OE2 2.93Å; H55-E58 PolarHBondContact O-N 2.87Å; H55-E58 VanDerWaalsContact O-N 3.08Å
56K79.6Confident86.5Confident170 Ų17059 Ų5974%0.73931%0.311SS*.THydrogen-bonded Turntrans-56.1116.2-179.6-62.6-169.3174-176.80110.2E36E36-K56 WeakPolarHBondContact OE1-CG 3.48Å
57G80.9Confident86.6Confident67 Ų6755 Ų5569%0.69128%0.283SS*.THydrogen-bonded Turntrans98.6-7.4177.400000115.9H55H55-G57 PolarHBondContact O-N 3.2Å
58E83.1Confident86.8Confident50 Ų5055.3 Ų55.323%0.23428%0.284CS..  trans-77.7146.1171.5-68.7-177.8136.700111.2Y15 L54 H55 D62Y15-E58 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-E58 PolarHBondContact OH-OE1 3.4Å; L54-E58 HydrophobicContact CB-CB 4.15Å; L54-E58 HydrophobicContact CD1-CB 4.45Å; H55-E58 HydrophobicContact CB-CG 4.19Å; H55-E58 WeakPolarHBondContact CB-OE2 3.33Å; H55-E58 IonicContact CD2-OE1 3.92Å; H55-E58 IonicContact CD2-OE2 3.13Å; H55-E58 PolarHBondContact CD2-OE2 3.4Å; H55-E58 VanDerWaalsContact CD2-OE2 3.26Å; H55-E58 IonicContact CG-OE2 3.83Å; H55-E58 PolarHBondContact N-OE2 2.93Å; H55-E58 PolarHBondContact O-N 2.87Å; H55-E58 VanDerWaalsContact O-N 3.08Å; E58-D62 HydrophobicContact CB-CB 4.45Å
59N83.1Confident86.8Confident100 Ų10057.9 Ų57.954%0.53529%0.292SS..  trans-108.9171.3174.2-61.3-77.1000111.3E61 D62N59-E61 PolarHBondContact O-N 2.94Å; N59-D62 PolarHBondContact N-OD2 3.44Å; N59-D62 PolarHBondContact O-N 3.46Å
60I84.6Confident86.8Confident31 Ų3157.5 Ų57.516%0.15929%0.291CS..THydrogen-bonded Turntrans-56.7-16.7175.6-164.2164.1000113.9I38 I63 Y92 K118I38-I60 HydrophobicContact CD1-CB 4.19Å; I38-I60 HydrophobicContact CD1-CD1 4.33Å; I38-I60 HydrophobicContact CD1-CG1 4.28Å; I38-I60 HydrophobicContact CG2-CD1 4.27Å; I60-I63 HydrophobicContact CG1-CD1 4.17Å; I60-Y92 HydrophobicContact CD1-CD2 3.58Å; I60-Y92 HydrophobicContact CD1-CE2 3.79Å; I60-Y92 HydrophobicContact CG1-CD2 3.79Å; I60-Y92 HydrophobicContact CG1-CE2 3.64Å; I60-K118 HydrophobicContact CD1-CD 4.31Å; I60-K118 HydrophobicContact CG1-CD 4.33Å; I60-K118 HydrophobicContact CG2-CD 4.45Å
61E84.1Confident86.8Confident151 Ų15157.5 Ų57.571%0.70629%0.291SS*.THydrogen-bonded Turntrans-89.4-23.1180-39.8-145.6126.200112.8N59 I63 K118N59-E61 PolarHBondContact O-N 2.94Å; E61-I63 VanDerWaalsContact C-N 3.28Å; E61-K118 IonicContact OE1-NZ 3.69Å; E61-K118 PolarHBondContact OE1-NZ 3.14Å
62D85.3Confident86.7Confident90 Ų9057.5 Ų57.548%0.48129%0.291SS..THydrogen-bonded Turntrans-84.8-7.1-177.2-57.5-53.7000111.9E58 N59 P64E58-D62 HydrophobicContact CB-CB 4.45Å; N59-D62 PolarHBondContact N-OD2 3.44Å; N59-D62 PolarHBondContact O-N 3.46Å; D62-P64 WeakPolarHBondContact O-CD 3.2Å
63I85.2Confident86.7Confident16 Ų1657.7 Ų57.78%0.08229%0.292CS..SBendtrans-65.2121.2-178.1-51.8177.5000109.7I38 L52 L54 I60 E61 K65 V67 L68I38-I63 HydrophobicContact CG1-CD1 4Å; L52-I63 HydrophobicContact CD2-CD1 4.05Å; L52-I63 HydrophobicContact CD2-CG2 3.85Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD1-CG1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 3.94Å; L54-I63 HydrophobicContact CD2-CG1 3.69Å; I60-I63 HydrophobicContact CG1-CD1 4.17Å; E61-I63 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 2.84Å; I63-V67 HydrophobicContact CG2-CB 4.26Å; I63-V67 HydrophobicContact CG2-CG1 4.37Å; I63-L68 HydrophobicContact CG2-CB 4.38Å
64P87.1Confident86.7Confident31 Ų3155.8 Ų55.820%0.20129%0.285CS..  trans-59138.1176-23.633.4000111.4V10 Y15 D62 E66 V67 L68V10-P64 HydrophobicContact CG1-CG 4.48Å; V10-P64 HydrophobicContact CG2-CB 3.6Å; V10-P64 HydrophobicContact CG2-CG 3.89Å; Y15-P64 HydrophobicContact CE2-CG 3.96Å; Y15-P64 WeakPolarHBondContact OH-CD 3.42Å; D62-P64 WeakPolarHBondContact O-CD 3.2Å; P64-E66 PolarHBondContact O-N 3.35Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.29Å; P64-V67 PolarHBondContact O-N 2.83Å; P64-L68 PolarHBondContact O-N 3.4Å
65K87.1Confident86.9Confident177 Ų17755.5 Ų55.577%0.7728%0.283SS*.Hα-helixtrans-54.4-32.6-179.7-66.5-177.8-177.91770112.7I63 L68 M69I63-K65 PolarHBondContact O-N 2.84Å; K65-L68 PolarHBondContact O-N 2.91Å; K65-M69 WeakPolarHBondContact O-CB 3.31Å; K65-M69 WeakPolarHBondContact O-CG 3.36Å; K65-M69 PolarHBondContact O-N 3.25Å
66E87.3Confident87.1Confident104 Ų10452.2 Ų52.249%0.48627%0.268SS..Hα-helixtrans-65-45.7177.7-61.8-176.3-178.800112.3S9 V10 P64 L68 M69 D70S9-E66 VanDerWaalsContact CB-OE2 3.31Å; S9-E66 WeakPolarHBondContact CB-OE2 3.44Å; S9-E66 VanDerWaalsContact O-OE2 3.04Å; V10-E66 HydrophobicContact CG2-CB 4.4Å; P64-E66 PolarHBondContact O-N 3.35Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-M69 PolarHBondContact O-N 2.95Å; E66-D70 VanDerWaalsContact O-CG 3.25Å; E66-D70 PolarHBondContact O-N 2.87Å
67V88.7Confident87.6Confident0 Ų045.6 Ų45.60%025%0.245CC..Hα-helixtrans-67-38.8177.7-178.70000110.3V10 Y15 L52 I63 P64 M69 D70 C71V10-V67 HydrophobicContact CG2-CG2 4.14Å; Y15-V67 HydrophobicContact CD2-CB 4.44Å; Y15-V67 HydrophobicContact CD2-CG1 4.21Å; Y15-V67 HydrophobicContact CD2-CG2 3.51Å; Y15-V67 HydrophobicContact CE2-CG2 3.91Å; Y15-V67 HydrophobicContact CG-CG1 3.97Å; Y15-V67 HydrophobicContact CG-CG2 4.14Å; L52-V67 HydrophobicContact CD1-CG1 3.69Å; L52-V67 HydrophobicContact CD2-CG1 3.91Å; L52-V67 HydrophobicContact CG-CG1 4.49Å; I63-V67 HydrophobicContact CG2-CB 4.26Å; I63-V67 HydrophobicContact CG2-CG1 4.37Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.29Å; P64-V67 PolarHBondContact O-N 2.83Å; V67-M69 VanDerWaalsContact C-N 3.34Å; V67-M69 PolarHBondContact O-N 2.89Å; V67-D70 WeakPolarHBondContact O-CB 3.4Å; V67-D70 PolarHBondContact O-N 3.38Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 2.89Å
68L90.3Very high88Confident23 Ų2346 Ų4612%0.1223%0.231CC..Hα-helixtrans-61-44.1174.2-169.372.4000111.4F40 I63 P64 K65 E66 C71 A72 Y92 V120F40-L68 HydrophobicContact CE1-CD1 3.61Å; F40-L68 HydrophobicContact CZ-CD1 3.86Å; I63-L68 HydrophobicContact CG2-CB 4.38Å; P64-L68 PolarHBondContact O-N 3.4Å; K65-L68 PolarHBondContact O-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.32Å; L68-C71 PolarHBondContact O-N 3.24Å; L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.41Å; L68-Y92 HydrophobicContact CD1-CD1 4.41Å; L68-Y92 HydrophobicContact CD1-CD2 4Å; L68-Y92 HydrophobicContact CD1-CE1 4.26Å; L68-Y92 HydrophobicContact CD1-CE2 3.8Å; L68-Y92 HydrophobicContact CD1-CG 4.31Å; L68-V120 HydrophobicContact CD1-CG2 4.41Å; L68-V120 HydrophobicContact CD2-CG2 3.49Å; L68-V120 VanDerWaalsContact CD2-CG2 3.49Å; L68-V120 HydrophobicContact CG-CG2 3.98Å
69M89.2Confident88.2Confident75 Ų7543.7 Ų43.737%0.36922%0.221SC..Hα-helixtrans-66.8-39.2176.2-72.9-68.3-90.600111.8K65 E66 V67 A72 H73 V120K65-M69 WeakPolarHBondContact O-CB 3.31Å; K65-M69 WeakPolarHBondContact O-CG 3.36Å; K65-M69 PolarHBondContact O-N 3.25Å; E66-M69 PolarHBondContact O-N 2.95Å; V67-M69 VanDerWaalsContact C-N 3.34Å; V67-M69 PolarHBondContact O-N 2.89Å; M69-A72 PolarHBondContact O-N 2.85Å; M69-H73 WeakPolarHBondContact O-CB 3.38Å; M69-H73 PolarHBondContact O-N 3.46Å; M69-H73 PolarHBondContact O-ND1 2.86Å; M69-V120 HydrophobicContact SD-CG1 4.49Å
70D90.2Very high88.2Confident1 Ų145.6 Ų45.61%0.00523%0.23CC..Hα-helixtrans-56.9-50.3173.7-74.1-18000111.2S7 S9 I17 E66 V67 H73 L74 I129 R132 L133S7-D70 PolarHBondContact OG-OD2 3.15Å; S9-D70 PolarHBondContact OG-OD2 3.28Å; I17-D70 HydrophobicContact CD1-CB 4.44Å; E66-D70 VanDerWaalsContact O-CG 3.25Å; E66-D70 PolarHBondContact O-N 2.87Å; V67-D70 WeakPolarHBondContact O-CB 3.4Å; V67-D70 PolarHBondContact O-N 3.38Å; D70-H73 PolarHBondContact O-N 3.16Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.01Å; D70-I129 HydrophobicContact CB-CG2 4.39Å; D70-I129 WeakPolarHBondContact OD1-CG2 3.33Å; D70-R132 VanDerWaalsContact CG-NH2 3.29Å; D70-R132 IonicContact OD1-CZ 3.8Å; D70-R132 IonicContact OD1-NH2 2.84Å; D70-R132 PolarHBondContact OD1-NH2 2.87Å; D70-R132 IonicContact OD2-CZ 2.93Å; D70-R132 IonicContact OD2-NH2 2.69Å; D70-R132 PolarHBondContact OD2-NH2 2.92Å; D70-R132 VanDerWaalsContact OD2-NH2 3.13Å; D70-L133 HydrophobicContact CB-CD1 4Å; D70-L133 HydrophobicContact CB-CD2 4.28Å
71C91Very high88.2Confident0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-61.9-46.8177.7-63.10000111.4F40 V67 L68 H73 L74 V75F40-C71 HydrophobicContact CD1-CB 3.97Å; F40-C71 HydrophobicContact CD2-CB 4.24Å; F40-C71 HydrophobicContact CE1-CB 3.86Å; F40-C71 HydrophobicContact CE2-CB 4.14Å; F40-C71 HydrophobicContact CG-CB 4.18Å; F40-C71 HydrophobicContact CZ-CB 3.96Å; V67-C71 PolarHBondContact O-N 3.5Å; V67-C71 PolarHBondContact O-SG 2.89Å; L68-C71 PolarHBondContact O-N 3.24Å; C71-H73 PolarHBondContact O-N 3.13Å; C71-L74 WeakPolarHBondContact O-CB 3.38Å; C71-L74 PolarHBondContact O-N 3.27Å; C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 3.32Å
72A91.6Very high88Confident1 Ų142.3 Ų42.31%0.00821%0.213CC..Hα-helixtrans-63.9-39.3-178.300000112.5L68 M69 K76 V90 V120 V122L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.41Å; M69-A72 PolarHBondContact O-N 2.85Å; A72-K76 VanDerWaalsContact O-CB 3.3Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.33Å; A72-V90 HydrophobicContact CB-CB 4.26Å; A72-V90 HydrophobicContact CB-CG1 4.36Å; A72-V90 HydrophobicContact CB-CG2 4.09Å; A72-V120 HydrophobicContact CB-CG1 4.39Å; A72-V122 HydrophobicContact CB-CG2 3.48Å; A72-V122 VanDerWaalsContact CB-CG2 3.48Å
73H90.2Very high87.8Confident3 Ų339.9 Ų39.91%0.01420%0.203CC..Hα-helixtrans-66-40.4173.5-78.984.2000112.1M69 D70 C71 K76 A77 K124 V126 I129 L130M69-H73 WeakPolarHBondContact O-CB 3.38Å; M69-H73 PolarHBondContact O-N 3.46Å; M69-H73 PolarHBondContact O-ND1 2.86Å; D70-H73 PolarHBondContact O-N 3.16Å; C71-H73 PolarHBondContact O-N 3.13Å; H73-K76 PolarHBondContact O-N 3.04Å; H73-A77 VanDerWaalsContact O-CB 3.29Å; H73-A77 WeakPolarHBondContact O-CB 3.34Å; H73-A77 PolarHBondContact O-N 3.24Å; H73-K124 PolarHBondContact NE2-O 3.42Å; H73-V126 PolarHBondContact CD2-N 3.1Å; H73-V126 VanDerWaalsContact CD2-N 3.3Å; H73-V126 WeakPolarHBondContact NE2-CG2 3.27Å; H73-V126 PolarHBondContact NE2-N 2.87Å; H73-I129 HydrophobicContact CB-CG2 3.99Å; H73-L130 HydrophobicContact CB-CD2 4.2Å
74L90.9Very high87.7Confident5 Ų547.9 Ų47.93%0.02624%0.238CC..Hα-helixtrans-63.5-45.4179.2-169.563.4000111.8F5 I17 M19 V50 D70 C71 A77 N78 L133F5-L74 HydrophobicContact CD2-CD2 3.96Å; F5-L74 HydrophobicContact CE1-CD1 4.37Å; F5-L74 HydrophobicContact CE2-CD2 4.11Å; F5-L74 HydrophobicContact CG-CD2 4.3Å; F5-L74 HydrophobicContact CZ-CD1 4.36Å; I17-L74 HydrophobicContact CG2-CD2 3.79Å; M19-L74 HydrophobicContact CE-CD1 3.61Å; M19-L74 HydrophobicContact CE-CD2 3.61Å; M19-L74 HydrophobicContact CE-CG 3.53Å; V50-L74 HydrophobicContact CG1-CD2 4.1Å; V50-L74 HydrophobicContact CG2-CD2 4.34Å; V50-L74 HydrophobicContact CG2-CG 4.36Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 PolarHBondContact O-N 3.01Å; C71-L74 WeakPolarHBondContact O-CB 3.38Å; C71-L74 PolarHBondContact O-N 3.27Å; L74-A77 PolarHBondContact O-N 2.84Å; L74-N78 PolarHBondContact O-N 3.36Å; L74-N78 PolarHBondContact O-ND2 2.83Å; L74-L133 HydrophobicContact CB-CD1 4.31Å; L74-L133 HydrophobicContact CD1-CD1 4.42Å
75V91Very high87.6Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-63-45.8176.11790000110.7F40 V42 V50 C71 A77 N78 S79 V90F40-V75 HydrophobicContact CB-CG2 3.65Å; V42-V75 HydrophobicContact CG2-CG1 3.61Å; V50-V75 HydrophobicContact CB-CG2 3.51Å; V50-V75 HydrophobicContact CG1-CG2 4.36Å; V50-V75 HydrophobicContact CG2-CB 4.33Å; V50-V75 HydrophobicContact CG2-CG2 3.37Å; C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 3.32Å; V75-A77 VanDerWaalsContact C-N 3.34Å; V75-A77 PolarHBondContact O-N 3.15Å; V75-N78 CarbonylContact O-C 3.58Å; V75-N78 PolarHBondContact O-N 3.44Å; V75-S79 PolarHBondContact O-N 2.89Å; V75-V90 HydrophobicContact CB-CG1 4.43Å; V75-V90 HydrophobicContact CG1-CG1 4.36Å
76K89.8Confident87.6Confident2 Ų247.4 Ų47.41%0.00924%0.24CC..Hα-helixtrans-60.6-42177-178.7177-179.4169.70111.9A72 H73 N78 S79 G82 C83 M85 V88 V122 E123A72-K76 VanDerWaalsContact O-CB 3.3Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.33Å; H73-K76 PolarHBondContact O-N 3.04Å; K76-N78 VanDerWaalsContact C-N 3.31Å; K76-N78 PolarHBondContact O-N 3.12Å; K76-S79 PolarHBondContact O-N 2.86Å; K76-G82 WeakPolarHBondContact CE-O 3.25Å; K76-G82 WeakPolarHBondContact CG-O 3.4Å; K76-C83 VanDerWaalsContact O-CA 3.3Å; K76-C83 WeakPolarHBondContact O-CA 3.3Å; K76-C83 PolarHBondContact O-N 2.81Å; K76-M85 WeakPolarHBondContact CE-O 3.45Å; K76-M85 PolarHBondContact NZ-O 3.15Å; K76-V88 HydrophobicContact CD-CB 4.22Å; K76-V88 HydrophobicContact CD-CG2 4.29Å; K76-V88 HydrophobicContact CG-CB 4.49Å; K76-V88 HydrophobicContact CG-CG2 4.48Å; K76-V122 HydrophobicContact CD-CB 4.16Å; K76-V122 HydrophobicContact CD-CG1 3.79Å; K76-V122 PolarHBondContact NZ-O 3.17Å; K76-V122 VanDerWaalsContact NZ-O 3.09Å; K76-E123 PolarHBondContact NZ-O 2.82Å
77A89.2Confident87.6Confident30 Ų3047.2 Ų47.225%0.24824%0.242CC..Hα-helixtrans-66.2-34.1178.700000112.5H73 L74 V75 S79 L130H73-A77 VanDerWaalsContact O-CB 3.29Å; H73-A77 WeakPolarHBondContact O-CB 3.34Å; H73-A77 PolarHBondContact O-N 3.24Å; L74-A77 PolarHBondContact O-N 2.84Å; V75-A77 VanDerWaalsContact C-N 3.34Å; V75-A77 PolarHBondContact O-N 3.15Å; A77-S79 VanDerWaalsContact C-N 3.31Å; A77-L130 HydrophobicContact CB-CD1 3.72Å; A77-L130 HydrophobicContact CB-CD2 3.68Å; A77-L130 HydrophobicContact CB-CG 4.37Å
78N88.7Confident87.6Confident75 Ų7547.6 Ų47.640%0.40124%0.244SC..THydrogen-bonded Turntrans-93.824.1177-67.7-76.3000113.1A48 L74 V75 K76A48-N78 HydrophobicContact CB-CB 3.65Å; A48-N78 PolarHBondContact N-O 3.44Å; L74-N78 PolarHBondContact O-N 3.36Å; L74-N78 PolarHBondContact O-ND2 2.83Å; V75-N78 CarbonylContact O-C 3.58Å; V75-N78 PolarHBondContact O-N 3.44Å; K76-N78 VanDerWaalsContact C-N 3.31Å; K76-N78 PolarHBondContact O-N 3.12Å
79S86.9Confident87.7Confident3 Ų349.3 Ų49.32%0.02125%0.254CS..BIsolated β-bridgetrans-106.6131169.3-179.30000110.5S46 V75 K76 A77 Q81 G82 C83S46-S79 PolarHBondContact O-OG 3.1Å; V75-S79 PolarHBondContact O-N 2.89Å; K76-S79 PolarHBondContact O-N 2.86Å; A77-S79 VanDerWaalsContact C-N 3.31Å; S79-Q81 VanDerWaalsContact C-N 3.31Å; S79-Q81 PolarHBondContact O-N 2.64Å; S79-G82 PolarHBondContact OG-N 3.23Å; S79-C83 VanDerWaalsContact O-CB 3.25Å; S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.38Å; S79-C83 PolarHBondContact O-SG 3.13Å
80I83.5Confident87.9Confident139 Ų13945.8 Ų45.871%0.71324%0.236SC*.THydrogen-bonded Turntrans-58.6-46-179.3-59.7172.3000110.5C83I80-C83 PolarHBondContact O-SG 3.18Å; I80-C83 VanDerWaalsContact O-SG 3.42Å
81Q84.7Confident88Confident113 Ų11346.1 Ų46.153%0.52824%0.238SC..THydrogen-bonded Turntrans-96.1-38.6-179.2-67.9-178.1-8.300112.1L45 S79 C83 K84 M85L45-Q81 HydrophobicContact CD2-CB 4.15Å; L45-Q81 VanDerWaalsContact CD2-OE1 3.25Å; S79-Q81 VanDerWaalsContact C-N 3.31Å; S79-Q81 PolarHBondContact O-N 2.64Å; Q81-C83 PolarHBondContact O-N 3.24Å; Q81-K84 PolarHBondContact O-N 3.15Å; Q81-M85 HydrophobicContact CB-CE 4.18Å
82G79.7Confident88.2Confident0 Ų047.2 Ų47.20%024%0.243CC..THydrogen-bonded Turntrans-65.3-23.9-176.200000114K76 S79 K84 M85K76-G82 WeakPolarHBondContact CE-O 3.25Å; K76-G82 WeakPolarHBondContact CG-O 3.4Å; S79-G82 PolarHBondContact OG-N 3.23Å; G82-K84 PolarHBondContact O-N 3.45Å; G82-M85 PolarHBondContact O-N 2.88Å
83C82.5Confident88.2Confident40 Ų4047.1 Ų47.127%0.2724%0.242SC..THydrogen-bonded Turntrans-63.7-27.6-178.866.70000114.1K76 S79 I80 Q81K76-C83 VanDerWaalsContact O-CA 3.3Å; K76-C83 WeakPolarHBondContact O-CA 3.3Å; K76-C83 PolarHBondContact O-N 2.81Å; S79-C83 VanDerWaalsContact O-CB 3.25Å; S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.38Å; S79-C83 PolarHBondContact O-SG 3.13Å; I80-C83 PolarHBondContact O-SG 3.18Å; I80-C83 VanDerWaalsContact O-SG 3.42Å; Q81-C83 PolarHBondContact O-N 3.24Å
84K83.3Confident88.4Confident184 Ų18448.3 Ų48.380%0.825%0.25SS*.THydrogen-bonded Turntrans-99.7-15.2-179.2-68.2177.5-177.2177.90113.4Q81 G82Q81-K84 PolarHBondContact O-N 3.15Å; G82-K84 PolarHBondContact O-N 3.45Å
85M84.9Confident88.3Confident86 Ų8650.8 Ų50.842%0.42426%0.259SS..  trans-82.3140.5-177.8-68-179.6-177.400110.9L45 K76 Q81 G82 V88L45-M85 HydrophobicContact CD1-SD 3.78Å; K76-M85 WeakPolarHBondContact CE-O 3.45Å; K76-M85 PolarHBondContact NZ-O 3.15Å; Q81-M85 HydrophobicContact CB-CE 4.18Å; G82-M85 PolarHBondContact O-N 2.88Å; M85-V88 HydrophobicContact CB-CG2 3.62Å; M85-V88 WeakPolarHBondContact O-CG2 3.3Å
86N85.8Confident88.2Confident112 Ų11254.6 Ų54.660%0.59929%0.286SS*.SBendtrans-87.8154.6166.2-63.3-33.3000109E123N86-E123 CarbonylContact C-O 3.51Å; N86-E123 VanDerWaalsContact CA-O 3.24Å; N86-E123 WeakPolarHBondContact CA-O 3.36Å
87N86.9Confident88.3Confident100 Ų10054.7 Ų54.754%0.53529%0.287SS..SBendtrans57.952.4178.1-53.7-33.2000113.1T121 V122 E123N87-T121 HydrophobicContact CB-CG2 4.35Å; N87-V122 WeakPolarHBondContact CA-O 3.5Å; N87-V122 PolarHBondContact N-O 3.48Å; N87-E123 PolarHBondContact N-O 3.13Å; N87-E123 WeakPolarHBondContact OD1-CA 3.24Å
88V89.8Confident88.4Confident7 Ų754 Ų544%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-85.2129.1179.2177.40000109.4V42 K76 M85 V122V42-V88 HydrophobicContact CB-CG1 4.37Å; V42-V88 HydrophobicContact CG1-CG1 3.29Å; V42-V88 HydrophobicContact CG2-CG1 4.15Å; K76-V88 HydrophobicContact CD-CB 4.22Å; K76-V88 HydrophobicContact CD-CG2 4.29Å; K76-V88 HydrophobicContact CG-CB 4.49Å; K76-V88 HydrophobicContact CG-CG2 4.48Å; M85-V88 HydrophobicContact CB-CG2 3.62Å; M85-V88 WeakPolarHBondContact O-CG2 3.3Å; V88-V122 PolarHBondContact N-O 3.04Å; V88-V122 PolarHBondContact O-N 3.32Å
89N92.6Very high88.4Confident60 Ų6054.9 Ų54.932%0.32128%0.279SS..EExtended strand (participates in β ladder)trans-85.3122.2175.1-70-17.6000109.9D43 I119 T121D43-N89 HydrophobicContact CB-CB 4.03Å; D43-N89 PolarHBondContact N-O 2.92Å; N89-I119 HydrophobicContact CB-CG2 3.82Å; N89-T121 PolarHBondContact OD1-OG1 3.16Å
90V92.6Very high88.4Confident0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-104.1121.4173.2-178.80000107.9F40 H41 A72 V75 I119 V120 V122F40-V90 HydrophobicContact CB-CG1 4.43Å; F40-V90 HydrophobicContact CD1-CG1 4.17Å; H41-V90 CarbonylContact O-C 3.55Å; H41-V90 WeakPolarHBondContact O-CA 3.44Å; H41-V90 WeakPolarHBondContact O-CG1 3.46Å; A72-V90 HydrophobicContact CB-CB 4.26Å; A72-V90 HydrophobicContact CB-CG1 4.36Å; A72-V90 HydrophobicContact CB-CG2 4.09Å; V75-V90 HydrophobicContact CB-CG1 4.43Å; V75-V90 HydrophobicContact CG1-CG1 4.36Å; V90-I119 WeakPolarHBondContact O-CA 3.31Å; V90-V120 PolarHBondContact N-O 3Å; V90-V120 PolarHBondContact O-N 3.11Å; V90-V122 HydrophobicContact CG2-CG2 4.16Å
91V93.2Very high88.6Confident8 Ų853.4 Ų53.45%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-84.7141.2171.8-68.50000109.5W39 F40 H41 D43 V117 K118 I119W39-V91 HydrophobicContact CH2-CG2 4.48Å; W39-V91 HydrophobicContact CZ3-CG2 3.94Å; F40-V91 WeakPolarHBondContact CA-O 3.37Å; H41-V91 HydrophobicContact CB-CG2 3.99Å; H41-V91 PolarHBondContact N-O 2.99Å; H41-V91 WeakPolarHBondContact O-CG2 3.17Å; H41-V91 PolarHBondContact O-N 3.44Å; D43-V91 HydrophobicContact CB-CG1 4.05Å; V91-V117 HydrophobicContact CB-CG1 3.94Å; V91-V117 HydrophobicContact CG1-CG1 3.99Å; V91-K118 CarbonylContact C-O 3.56Å; V91-K118 WeakPolarHBondContact CA-O 3.37Å; V91-I119 HydrophobicContact CG1-CG1 4.02Å
92Y93.7Very high88.5Confident23 Ų2353 Ų539%0.0929%0.287CS..EExtended strand (participates in β ladder)trans-141.2140.5171.865.1-73.5000111.2I38 W39 F40 I60 L68 K118 V120I38-Y92 HydrophobicContact CG2-CD2 4.22Å; W39-Y92 CarbonylContact O-C 3.53Å; W39-Y92 WeakPolarHBondContact O-CA 3.41Å; F40-Y92 HydrophobicContact CD1-CG 4.17Å; F40-Y92 HydrophobicContact CE1-CD1 4.33Å; F40-Y92 HydrophobicContact CE1-CD2 4.16Å; F40-Y92 AromaticContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CE1-CG 3.73Å; F40-Y92 HydrophobicContact CZ-CD2 4.29Å; F40-Y92 HydrophobicContact CZ-CG 4.26Å; I60-Y92 HydrophobicContact CD1-CD2 3.58Å; I60-Y92 HydrophobicContact CD1-CE2 3.79Å; I60-Y92 HydrophobicContact CG1-CD2 3.79Å; I60-Y92 HydrophobicContact CG1-CE2 3.64Å; L68-Y92 HydrophobicContact CD1-CD1 4.41Å; L68-Y92 HydrophobicContact CD1-CD2 4Å; L68-Y92 HydrophobicContact CD1-CE1 4.26Å; L68-Y92 HydrophobicContact CD1-CE2 3.8Å; L68-Y92 HydrophobicContact CD1-CG 4.31Å; Y92-K118 HydrophobicContact CD1-CB 3.99Å; Y92-K118 VanDerWaalsContact CD1-O 3.27Å; Y92-K118 WeakPolarHBondContact CD1-O 3.43Å; Y92-K118 HydrophobicContact CD2-CB 4.2Å; Y92-K118 HydrophobicContact CE1-CB 3.37Å; Y92-K118 HydrophobicContact CE2-CB 3.65Å; Y92-K118 HydrophobicContact CE2-CD 3.92Å; Y92-K118 HydrophobicContact CE2-CG 4.31Å; Y92-K118 HydrophobicContact CG-CB 4.35Å; Y92-K118 PolarHBondContact N-O 2.84Å; Y92-K118 PolarHBondContact O-N 3.19Å; Y92-K118 WeakPolarHBondContact OH-CB 3.19Å; Y92-K118 WeakPolarHBondContact OH-CD 3.49Å; Y92-V120 HydrophobicContact CD1-CG2 4.09Å; Y92-V120 HydrophobicContact CE1-CB 4.22Å; Y92-V120 HydrophobicContact CE1-CG2 3.32Å
93T93.1Very high88.9Confident0 Ų060.4 Ų60.40%033%0.327CS..EExtended strand (participates in β ladder)trans-154.1149.4-174.3-159.40000109.6W39 N97 L98 F111 D116W39-T93 HydrophobicContact CE3-CG2 4.04Å; W39-T93 PolarHBondContact N-O 3.34Å; W39-T93 PolarHBondContact O-N 3.41Å; T93-N97 HydrophobicContact CG2-CB 4.5Å; T93-N97 PolarHBondContact OG1-ND2 3.4Å; T93-L98 HydrophobicContact CG2-CD2 3.46Å; T93-L98 VanDerWaalsContact CG2-CD2 3.46Å; T93-L98 HydrophobicContact CG2-CG 4.5Å; T93-F111 HydrophobicContact CG2-CD1 3.94Å; T93-F111 HydrophobicContact CG2-CE1 3.81Å; T93-D116 PolarHBondContact OG1-O 2.93Å
94P92.8Very high89.1Confident28 Ų2860.1 Ų60.118%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-61.2147.1175.226.1-35.6000111.3I38 S96 N97I38-P94 HydrophobicContact CD1-CB 4Å; P94-S96 PolarHBondContact O-N 3.34Å; P94-S96 VanDerWaalsContact O-N 3.15Å; P94-N97 HydrophobicContact CG-CB 4.13Å; P94-N97 WeakPolarHBondContact O-CB 3.26Å; P94-N97 PolarHBondContact O-N 3.43Å
95W90.2Very high89.2Confident57 Ų5757.5 Ų57.522%0.21632%0.316CS..G310 helixtrans-54.4-35.8179.7176.686.7000112.4I30 G33 W34 D37 N97 L98I30-W95 WeakPolarHBondContact O-CZ2 3.41Å; I30-W95 PolarHBondContact O-NE1 3.42Å; G33-W95 WeakPolarHBondContact O-CZ2 3.44Å; W34-W95 WeakPolarHBondContact O-CB 3.34Å; D37-W95 HydrophobicContact CB-CB 4.23Å; D37-W95 WeakPolarHBondContact O-CB 3.41Å; D37-W95 PolarHBondContact O-N 2.91Å; W95-N97 PolarHBondContact O-N 3.21Å; W95-N97 VanDerWaalsContact O-N 3.13Å; W95-L98 WeakPolarHBondContact O-CB 3.12Å; W95-L98 WeakPolarHBondContact O-CG 3.44Å; W95-L98 PolarHBondContact O-N 2.98Å
96S88.8Confident89Confident79 Ų7956.6 Ų56.655%0.55232%0.316SS*.G310 helixtrans-60.2-21.2176.357.10000114.4P94P94-S96 PolarHBondContact O-N 3.34Å; P94-S96 VanDerWaalsContact O-N 3.15Å
97N91.8Very high88.7Confident5 Ų552.3 Ų52.33%0.02730%0.298CS..G310 helixtrans-88.9-10.4178-16936.2000113.1T93 P94 W95 F111 H112 R113T93-N97 HydrophobicContact CG2-CB 4.5Å; T93-N97 PolarHBondContact OG1-ND2 3.4Å; P94-N97 HydrophobicContact CG-CB 4.13Å; P94-N97 WeakPolarHBondContact O-CB 3.26Å; P94-N97 PolarHBondContact O-N 3.43Å; W95-N97 PolarHBondContact O-N 3.21Å; W95-N97 VanDerWaalsContact O-N 3.13Å; N97-F111 WeakPolarHBondContact O-CA 3.22Å; N97-H112 PolarHBondContact O-N 2.89Å; N97-H112 PolarHBondContact O-ND1 2.92Å; N97-H112 WeakPolarHBondContact OD1-CB 3.09Å; N97-H112 PolarHBondContact OD1-N 3.48Å; N97-R113 PolarHBondContact ND2-O 2.88Å; N97-R113 PolarHBondContact OD1-N 2.78Å; N97-R113 PolarHBondContact OD1-O 2.87Å
98L90Very high88.6Confident16 Ų1652.2 Ų52.28%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-71.1131.8180-57.5-175.8000111W39 T93 W95 I109 F111 H112W39-L98 HydrophobicContact CB-CD1 3.83Å; W39-L98 HydrophobicContact CB-CD2 4.14Å; W39-L98 HydrophobicContact CB-CG 4.4Å; W39-L98 HydrophobicContact CD2-CD1 4.41Å; W39-L98 HydrophobicContact CD2-CD2 3.92Å; W39-L98 HydrophobicContact CE3-CD2 3.92Å; W39-L98 HydrophobicContact CG-CD1 3.84Å; W39-L98 HydrophobicContact CG-CD2 4.08Å; T93-L98 HydrophobicContact CG2-CD2 3.46Å; T93-L98 VanDerWaalsContact CG2-CD2 3.46Å; T93-L98 HydrophobicContact CG2-CG 4.5Å; W95-L98 WeakPolarHBondContact O-CB 3.12Å; W95-L98 WeakPolarHBondContact O-CG 3.44Å; W95-L98 PolarHBondContact O-N 2.98Å; L98-I109 HydrophobicContact CB-CG2 4.16Å; L98-I109 HydrophobicContact CD2-CG2 3.91Å; L98-I109 HydrophobicContact CG-CG2 4.47Å; L98-F111 HydrophobicContact CD2-CD1 4.18Å; L98-F111 HydrophobicContact CD2-CE1 4.01Å; L98-H112 PolarHBondContact O-CE1 2.95Å; L98-H112 PolarHBondContact O-ND1 3.01Å
99K89.6Confident88.4Confident93 Ų9353 Ų5340%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-118.7115.1177.5-171.7177.2177.9-1780109.6T101 G110K99-T101 HydrophobicContact CG-CG2 4.42Å; K99-G110 PolarHBondContact N-O 2.99Å; K99-G110 CarbonylContact O-C 3.6Å; K99-G110 WeakPolarHBondContact O-CA 3.35Å; K99-G110 PolarHBondContact O-N 3.17Å
100K86.1Confident88.2Confident62 Ų6251.1 Ų51.127%0.2729%0.292SS..  trans-110.3117.8169.7-175.472.7-174.9-164.10108.8E27 M104 D105 Q108E27-K100 WeakPolarHBondContact OE1-CE 3.36Å; E27-K100 IonicContact OE1-NZ 3.44Å; E27-K100 PolarHBondContact OE1-NZ 2.79Å; E27-K100 WeakPolarHBondContact OE2-CE 3.26Å; E27-K100 IonicContact OE2-NZ 3.17Å; K100-M104 HydrophobicContact CD-CB 4.36Å; K100-M104 WeakPolarHBondContact CE-O 3.28Å; K100-M104 PolarHBondContact NZ-O 2.88Å; K100-D105 PolarHBondContact NZ-O 2.69Å; K100-Q108 VanDerWaalsContact CD-O 3.28Å; K100-Q108 WeakPolarHBondContact CD-O 3.49Å; K100-Q108 PolarHBondContact NZ-O 3.35Å
101T87.6Confident88.2Confident48 Ų4854.1 Ų54.129%0.29431%0.306SS..  trans-98.4154.1169.256.70000109.9K99 D103 M104K99-T101 HydrophobicContact CG-CG2 4.42Å; T101-D103 PolarHBondContact O-N 2.87Å; T101-M104 WeakPolarHBondContact O-CB 3.38Å; T101-M104 PolarHBondContact O-N 3.34Å; T101-M104 VanDerWaalsContact O-N 3.1Å; T101-M104 WeakPolarHBondContact OG1-CG 3.41Å; T101-M104 PolarHBondContact OG1-SD 3.06Å; T101-M104 VanDerWaalsContact OG1-SD 3.34Å
102A84.2Confident88.1Confident106 Ų10659.2 Ų59.288%0.87633%0.329SS*.THydrogen-bonded Turntrans-62.5-25.5-179.300000112.7M104A102-M104 PolarHBondContact O-N 2.82Å
103D88.3Confident88Confident155 Ų15566.1 Ų66.183%0.82936%0.355SS*.THydrogen-bonded Turntrans-76.2-6.8177.9-45.9-60000113.6T101T101-D103 PolarHBondContact O-N 2.87Å
104M86.2Confident87.9Confident34 Ų3474 Ų7417%0.16739%0.391CS..SBendtrans-92132.1-176.7-69.6175.583.200111.6K100 T101 A102 Q108 I109 G110K100-M104 HydrophobicContact CD-CB 4.36Å; K100-M104 WeakPolarHBondContact CE-O 3.28Å; K100-M104 PolarHBondContact NZ-O 2.88Å; T101-M104 WeakPolarHBondContact O-CB 3.38Å; T101-M104 PolarHBondContact O-N 3.34Å; T101-M104 VanDerWaalsContact O-N 3.1Å; T101-M104 WeakPolarHBondContact OG1-CG 3.41Å; T101-M104 PolarHBondContact OG1-SD 3.06Å; T101-M104 VanDerWaalsContact OG1-SD 3.34Å; A102-M104 PolarHBondContact O-N 2.82Å; M104-Q108 HydrophobicContact CB-CB 4.27Å; M104-Q108 HydrophobicContact CE-CB 4.09Å; M104-Q108 HydrophobicContact CE-CG 3.51Å; M104-I109 VanDerWaalsContact CE-C 3.46Å; M104-G110 VanDerWaalsContact CE-N 3.35Å
105D83.9Confident87.8Confident128 Ų12882.2 Ų82.268%0.68442%0.424SS*.PPolyproline II helixtrans-56.3153.2177.9-77.2-43000112.5K100 G107 Q108K100-D105 PolarHBondContact NZ-O 2.69Å; D105-G107 PolarHBondContact O-N 2.78Å; D105-Q108 VanDerWaalsContact O-CB 3.32Å; D105-Q108 WeakPolarHBondContact O-CB 3.32Å; D105-Q108 PolarHBondContact O-N 3.28Å
106V81.7Confident87.7Confident68 Ų6882.5 Ų82.541%0.41243%0.43SS..THydrogen-bonded Turntrans-56.3120.9178.4-174.80000109.9K23 E27K23-V106 HydrophobicContact CB-CG1 3.9Å; K23-V106 HydrophobicContact CD-CB 4.27Å; K23-V106 HydrophobicContact CD-CG1 3.89Å; K23-V106 HydrophobicContact CG-CG1 3.69Å; E27-V106 HydrophobicContact CG-CG1 3.77Å
107G79.1Confident87.9Confident22 Ų2280.1 Ų80.123%0.22741%0.412CS..THydrogen-bonded Turntrans92.7-14.4-174.700000115.6E27 H49 D105E27-G107 PolarHBondContact OE1-N 3.06Å; H49-G107 PolarHBondContact CE1-O 2.94Å; H49-G107 VanDerWaalsContact CE1-O 3.32Å; D105-G107 PolarHBondContact O-N 2.78Å
108Q84.3Confident87.9Confident98 Ų9882.8 Ų82.846%0.45842%0.424SS..  trans-78.5130.1172.1-162.9-168.8-1.400110.2K100 M104 D105K100-Q108 VanDerWaalsContact CD-O 3.28Å; K100-Q108 WeakPolarHBondContact CD-O 3.49Å; K100-Q108 PolarHBondContact NZ-O 3.35Å; M104-Q108 HydrophobicContact CB-CB 4.27Å; M104-Q108 HydrophobicContact CE-CB 4.09Å; M104-Q108 HydrophobicContact CE-CG 3.51Å; D105-Q108 VanDerWaalsContact O-CB 3.32Å; D105-Q108 WeakPolarHBondContact O-CB 3.32Å; D105-Q108 PolarHBondContact O-N 3.28Å
109I86.6Confident88Confident24 Ų2486.7 Ų86.712%0.12344%0.443CS..  trans-127.9136.1179.7-59.8179.1000109.8I30 W39 H49 L98 M104I30-I109 HydrophobicContact CD1-CD1 3.37Å; I30-I109 HydrophobicContact CD1-CG1 3.83Å; I30-I109 HydrophobicContact CG1-CD1 3.97Å; W39-I109 HydrophobicContact CZ2-CB 4.46Å; W39-I109 HydrophobicContact CZ2-CD1 3.65Å; H49-I109 WeakPolarHBondContact CE1-CD1 3.35Å; H49-I109 WeakPolarHBondContact ND1-CD1 3.5Å; L98-I109 HydrophobicContact CB-CG2 4.16Å; L98-I109 HydrophobicContact CD2-CG2 3.91Å; L98-I109 HydrophobicContact CG-CG2 4.47Å; M104-I109 VanDerWaalsContact CE-C 3.46Å
110G89.2Confident88.1Confident19 Ų1983.3 Ų83.320%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-103174170.800000111.5K99 M104K99-G110 PolarHBondContact N-O 2.99Å; K99-G110 CarbonylContact O-C 3.6Å; K99-G110 WeakPolarHBondContact O-CA 3.35Å; K99-G110 PolarHBondContact O-N 3.17Å; M104-G110 VanDerWaalsContact CE-N 3.35Å
111F92Very high88.4Confident63 Ų6384.1 Ų84.128%0.27644%0.441SS..EExtended strand (participates in β ladder)trans-120.7141.1176.7-53-63.1000110.1W39 T93 N97 L98 V117W39-F111 HydrophobicContact CE3-CE1 4.14Å; W39-F111 HydrophobicContact CH2-CE1 4.23Å; W39-F111 HydrophobicContact CH2-CZ 4.08Å; W39-F111 AromaticContact CZ3-CE1 3.58Å; W39-F111 HydrophobicContact CZ3-CE1 3.58Å; W39-F111 AromaticContact CZ3-CZ 3.63Å; W39-F111 HydrophobicContact CZ3-CZ 3.63Å; T93-F111 HydrophobicContact CG2-CD1 3.94Å; T93-F111 HydrophobicContact CG2-CE1 3.81Å; N97-F111 WeakPolarHBondContact O-CA 3.22Å; L98-F111 HydrophobicContact CD2-CD1 4.18Å; L98-F111 HydrophobicContact CD2-CE1 4.01Å; F111-V117 HydrophobicContact CB-CG2 4.17Å; F111-V117 HydrophobicContact CD1-CG2 4Å; F111-V117 HydrophobicContact CD2-CG2 3.93Å; F111-V117 HydrophobicContact CE1-CG2 4.41Å; F111-V117 HydrophobicContact CE2-CG2 4.34Å; F111-V117 HydrophobicContact CG-CG2 3.75Å
112H90.4Very high88.4Confident115 Ų11581.9 Ų81.953%0.53243%0.427SS..SBendtrans-71.1-45.1172.7-69.592.5000111N97 L98N97-H112 PolarHBondContact O-N 2.89Å; N97-H112 PolarHBondContact O-ND1 2.92Å; N97-H112 WeakPolarHBondContact OD1-CB 3.09Å; N97-H112 PolarHBondContact OD1-N 3.48Å; L98-H112 PolarHBondContact O-CE1 2.95Å; L98-H112 PolarHBondContact O-ND1 3.01Å
113R92Very high88.4Confident169 Ų16983 Ų8364%0.63841%0.414SS*.  trans-129.3113.1-178.3-66.1176.1178.4-173.43.5109.4N97 K115 D116N97-R113 PolarHBondContact ND2-O 2.88Å; N97-R113 PolarHBondContact OD1-N 2.78Å; N97-R113 PolarHBondContact OD1-O 2.87Å; R113-K115 PolarHBondContact O-N 2.72Å; R113-D116 HydrophobicContact CB-CB 4.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.34Å; R113-D116 WeakPolarHBondContact CD-OD2 3.28Å; R113-D116 PolarHBondContact O-N 2.63Å
114Q90.7Very high88.2Confident165 Ų16582.8 Ų82.877%0.77141%0.406SS*.G310 helixtrans-65.5-22.8175.2-70.1-174.5-10.700112.9D116 V117Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 3.15Å; Q114-V117 WeakPolarHBondContact O-CB 3.49Å; Q114-V117 PolarHBondContact O-N 2.89Å
115K90.5Very high87.8Confident200 Ų20085.8 Ų85.887%0.8742%0.418SS*.G310 helixtrans-66.7-26.9177.6-64.4-175.1178.6-176.40113.3R113 V117R113-K115 PolarHBondContact O-N 2.72Å; K115-V117 VanDerWaalsContact C-N 3.26Å
116D89Confident87.8Confident64 Ų6482.3 Ų82.334%0.34240%0.401SS..G310 helixtrans-90.15.8-178.8-56.5-24.6000111.7T93 R113 Q114T93-D116 PolarHBondContact OG1-O 2.93Å; R113-D116 HydrophobicContact CB-CB 4.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.34Å; R113-D116 WeakPolarHBondContact CD-OD2 3.28Å; R113-D116 PolarHBondContact O-N 2.63Å; Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 PolarHBondContact O-N 3.15Å
117V91.6Very high88Confident29 Ų2983.4 Ų83.418%0.17641%0.405CS..  trans-93.3115.2174.3-176.30000108.1V91 F111 Q114 K115V91-V117 HydrophobicContact CB-CG1 3.94Å; V91-V117 HydrophobicContact CG1-CG1 3.99Å; F111-V117 HydrophobicContact CB-CG2 4.17Å; F111-V117 HydrophobicContact CD1-CG2 4Å; F111-V117 HydrophobicContact CD2-CG2 3.93Å; F111-V117 HydrophobicContact CE1-CG2 4.41Å; F111-V117 HydrophobicContact CE2-CG2 4.34Å; F111-V117 HydrophobicContact CG-CG2 3.75Å; Q114-V117 WeakPolarHBondContact O-CB 3.49Å; Q114-V117 PolarHBondContact O-N 2.89Å; K115-V117 VanDerWaalsContact C-N 3.26Å
118K93Very high88.3Confident61 Ų6189.8 Ų89.827%0.26543%0.429SS..EExtended strand (participates in β ladder)trans-98.9151.8174.7-64.2-171.4178.7-170.40109.5I60 E61 V91 Y92I60-K118 HydrophobicContact CD1-CD 4.31Å; I60-K118 HydrophobicContact CG1-CD 4.33Å; I60-K118 HydrophobicContact CG2-CD 4.45Å; E61-K118 IonicContact OE1-NZ 3.69Å; E61-K118 PolarHBondContact OE1-NZ 3.14Å; V91-K118 CarbonylContact C-O 3.56Å; V91-K118 WeakPolarHBondContact CA-O 3.37Å; Y92-K118 HydrophobicContact CD1-CB 3.99Å; Y92-K118 VanDerWaalsContact CD1-O 3.27Å; Y92-K118 WeakPolarHBondContact CD1-O 3.43Å; Y92-K118 HydrophobicContact CD2-CB 4.2Å; Y92-K118 HydrophobicContact CE1-CB 3.37Å; Y92-K118 HydrophobicContact CE2-CB 3.65Å; Y92-K118 HydrophobicContact CE2-CD 3.92Å; Y92-K118 HydrophobicContact CE2-CG 4.31Å; Y92-K118 HydrophobicContact CG-CB 4.35Å; Y92-K118 PolarHBondContact N-O 2.84Å; Y92-K118 PolarHBondContact O-N 3.19Å; Y92-K118 WeakPolarHBondContact OH-CB 3.19Å; Y92-K118 WeakPolarHBondContact OH-CD 3.49Å
119I92.7Very high88.4Confident97 Ų9786.4 Ų86.450%0.49741%0.414SS..EExtended strand (participates in β ladder)trans-122.9134.2-178.4-60.1168.7000109.1N89 V90 V91N89-I119 HydrophobicContact CB-CG2 3.82Å; V90-I119 WeakPolarHBondContact O-CA 3.31Å; V91-I119 HydrophobicContact CG1-CG1 4.02Å
120V91.7Very high88.4Confident23 Ų2386.3 Ų86.314%0.13941%0.413CS..EExtended strand (participates in β ladder)trans-120.6126.8170.7167.70000108.7L68 M69 A72 V90 Y92 V122L68-V120 HydrophobicContact CD1-CG2 4.41Å; L68-V120 HydrophobicContact CD2-CG2 3.49Å; L68-V120 VanDerWaalsContact CD2-CG2 3.49Å; L68-V120 HydrophobicContact CG-CG2 3.98Å; M69-V120 HydrophobicContact SD-CG1 4.49Å; A72-V120 HydrophobicContact CB-CG1 4.39Å; V90-V120 PolarHBondContact N-O 3Å; V90-V120 PolarHBondContact O-N 3.11Å; Y92-V120 HydrophobicContact CD1-CG2 4.09Å; Y92-V120 HydrophobicContact CE1-CB 4.22Å; Y92-V120 HydrophobicContact CE1-CG2 3.32Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
121T91.4Very high88.4Confident78 Ų7890.3 Ų90.348%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-91124.1176.7-55.80000110N87 N89N87-T121 HydrophobicContact CB-CG2 4.35Å; N89-T121 PolarHBondContact OD1-OG1 3.16Å
122V88Confident88.2Confident1 Ų191.4 Ų91.41%0.00643%0.432CS..EExtended strand (participates in β ladder)trans-106.1103.7176.5-175.80000109.5A72 K76 N87 V88 V90 V120A72-V122 HydrophobicContact CB-CG2 3.48Å; A72-V122 VanDerWaalsContact CB-CG2 3.48Å; K76-V122 HydrophobicContact CD-CB 4.16Å; K76-V122 HydrophobicContact CD-CG1 3.79Å; K76-V122 PolarHBondContact NZ-O 3.17Å; K76-V122 VanDerWaalsContact NZ-O 3.09Å; N87-V122 WeakPolarHBondContact CA-O 3.5Å; N87-V122 PolarHBondContact N-O 3.48Å; V88-V122 PolarHBondContact N-O 3.04Å; V88-V122 PolarHBondContact O-N 3.32Å; V90-V122 HydrophobicContact CG2-CG2 4.16Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
123E84.6Confident88Confident131 Ų13186 Ų8661%0.61241%0.407SS*.  trans-62.8-62-176.4-61-171.9151.900112K76 N86 N87K76-E123 PolarHBondContact NZ-O 2.82Å; N86-E123 CarbonylContact C-O 3.51Å; N86-E123 VanDerWaalsContact CA-O 3.24Å; N86-E123 WeakPolarHBondContact CA-O 3.36Å; N87-E123 PolarHBondContact N-O 3.13Å; N87-E123 WeakPolarHBondContact OD1-CA 3.24Å
124K83.3Confident87.8Confident150 Ų15082.9 Ų82.965%0.65240%0.4SS*.SBendtrans-122.7154.6-175.2-67-178.4-177.2174.80111.1H73 V126H73-K124 PolarHBondContact NE2-O 3.42Å; K124-V126 PolarHBondContact O-N 3.15Å
125K78.3Confident87.7Confident97 Ų9783.7 Ų83.742%0.42240%0.401SS..  trans-76.4112.3173-176.6-177.4179.7-177.20108.9N127 L130K125-N127 WeakPolarHBondContact CD-OD1 3.32Å; K125-N127 VanDerWaalsContact CE-OD1 3.23Å; K125-N127 WeakPolarHBondContact CE-OD1 3.37Å; K125-N127 PolarHBondContact O-N 2.9Å; K125-L130 HydrophobicContact CD-CD1 4.15Å; K125-L130 HydrophobicContact CG-CD1 3.91Å
126V84.4Confident87.6Confident55 Ų5576.1 Ų76.133%0.33337%0.371SS..  trans-87.5102.2171.3-177.40000109.2H73 K124 E128 I129H73-V126 PolarHBondContact CD2-N 3.1Å; H73-V126 VanDerWaalsContact CD2-N 3.3Å; H73-V126 WeakPolarHBondContact NE2-CG2 3.27Å; H73-V126 PolarHBondContact NE2-N 2.87Å; K124-V126 PolarHBondContact O-N 3.15Å; V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 HydrophobicContact CG1-CB 4.12Å; V126-E128 PolarHBondContact O-N 2.91Å; V126-I129 HydrophobicContact CB-CB 4.47Å; V126-I129 HydrophobicContact CB-CD1 3.98Å; V126-I129 HydrophobicContact CB-CG1 4.28Å; V126-I129 HydrophobicContact CG1-CB 4.29Å; V126-I129 HydrophobicContact CG1-CD1 3.92Å; V126-I129 HydrophobicContact CG1-CG1 3.84Å; V126-I129 PolarHBondContact O-N 2.88Å
127N84.3Confident87.6Confident91 Ų9176.1 Ų76.149%0.48737%0.368SS..Hα-helixtrans-66.8-26.4-179.1-68.7-34000112.9K125 L130 N131K125-N127 WeakPolarHBondContact CD-OD1 3.32Å; K125-N127 VanDerWaalsContact CE-OD1 3.23Å; K125-N127 WeakPolarHBondContact CE-OD1 3.37Å; K125-N127 PolarHBondContact O-N 2.9Å; N127-L130 PolarHBondContact O-N 3.45Å; N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 2.87Å; N127-N131 PolarHBondContact O-ND2 2.79Å
128E87.3Confident87.5Confident156 Ų15677.8 Ų77.873%0.72938%0.379SS*.Hα-helixtrans-61.4-45.1178.2-174.4177.2-179.600112.1V126 L130 N131 R132V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 HydrophobicContact CG1-CB 4.12Å; V126-E128 PolarHBondContact O-N 2.91Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.37Å; E128-N131 PolarHBondContact O-N 2.71Å; E128-R132 WeakPolarHBondContact O-CB 3.26Å; E128-R132 PolarHBondContact O-N 3.38Å
129I85.8Confident87.3Confident27 Ų2780.1 Ų80.114%0.13839%0.39CS..Hα-helixtrans-59.2-47.1175.4-71.7174.5000110.5D70 H73 V126 R132 L133D70-I129 HydrophobicContact CB-CG2 4.39Å; D70-I129 WeakPolarHBondContact OD1-CG2 3.33Å; H73-I129 HydrophobicContact CB-CG2 3.99Å; V126-I129 HydrophobicContact CB-CB 4.47Å; V126-I129 HydrophobicContact CB-CD1 3.98Å; V126-I129 HydrophobicContact CB-CG1 4.28Å; V126-I129 HydrophobicContact CG1-CB 4.29Å; V126-I129 HydrophobicContact CG1-CD1 3.92Å; V126-I129 HydrophobicContact CG1-CG1 3.84Å; V126-I129 PolarHBondContact O-N 2.88Å; I129-R132 WeakPolarHBondContact O-CB 3.39Å; I129-R132 PolarHBondContact O-N 2.79Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 WeakPolarHBondContact O-CG 3.33Å; I129-L133 PolarHBondContact O-N 3.19Å
130L86.1Confident87Confident21 Ų2182.9 Ų82.911%0.1139%0.394CS..Hα-helixtrans-64.6-43.1179.9-65.4173.7000112H73 A77 K125 N127 E128 R132 L133 E134H73-L130 HydrophobicContact CB-CD2 4.2Å; A77-L130 HydrophobicContact CB-CD1 3.72Å; A77-L130 HydrophobicContact CB-CD2 3.68Å; A77-L130 HydrophobicContact CB-CG 4.37Å; K125-L130 HydrophobicContact CD-CD1 4.15Å; K125-L130 HydrophobicContact CG-CD1 3.91Å; N127-L130 PolarHBondContact O-N 3.45Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.37Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 2.81Å; L130-E134 WeakPolarHBondContact O-CB 3.44Å; L130-E134 PolarHBondContact O-N 2.86Å
131N88.7Confident86.4Confident103 Ų10389.4 Ų89.455%0.55142%0.421SS*.Hα-helixtrans-64.3-34.1177.3-71.6-14.8000111.8N127 E128 K135N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 2.87Å; N127-N131 PolarHBondContact O-ND2 2.79Å; E128-N131 PolarHBondContact O-N 2.71Å; N131-K135 WeakPolarHBondContact O-CG 3.23Å; N131-K135 PolarHBondContact O-N 3.05Å
132R88.2Confident85.5Confident86 Ų8687.2 Ų87.233%0.32541%0.408SS..Hα-helixtrans-66.8-45.7173.8179.4178.162.7169-2.7111.6S9 D70 E128 I129 L130 K135S9-R132 PolarHBondContact OG-NH1 2.82Å; S9-R132 PolarHBondContact OG-NH2 2.98Å; D70-R132 VanDerWaalsContact CG-NH2 3.29Å; D70-R132 IonicContact OD1-CZ 3.8Å; D70-R132 IonicContact OD1-NH2 2.84Å; D70-R132 PolarHBondContact OD1-NH2 2.87Å; D70-R132 IonicContact OD2-CZ 2.93Å; D70-R132 IonicContact OD2-NH2 2.69Å; D70-R132 PolarHBondContact OD2-NH2 2.92Å; D70-R132 VanDerWaalsContact OD2-NH2 3.13Å; E128-R132 WeakPolarHBondContact O-CB 3.26Å; E128-R132 PolarHBondContact O-N 3.38Å; I129-R132 WeakPolarHBondContact O-CB 3.39Å; I129-R132 PolarHBondContact O-N 2.79Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.88Å; R132-K135 PolarHBondContact O-N 2.88Å
133L86.6Confident85Confident2 Ų292.1 Ų92.11%0.0143%0.434CS..Hα-helixtrans-67.3-41.2178.7-67.5170000111.8F5 I17 D70 L74 I129 L130 K135 T136 K137F5-L133 HydrophobicContact CD1-CB 4.23Å; F5-L133 WeakPolarHBondContact CD1-O 3Å; I17-L133 HydrophobicContact CD1-CD2 4.35Å; D70-L133 HydrophobicContact CB-CD1 4Å; D70-L133 HydrophobicContact CB-CD2 4.28Å; L74-L133 HydrophobicContact CB-CD1 4.31Å; L74-L133 HydrophobicContact CD1-CD1 4.42Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 WeakPolarHBondContact O-CG 3.33Å; I129-L133 PolarHBondContact O-N 3.19Å; L130-L133 PolarHBondContact O-N 2.81Å; L133-K135 PolarHBondContact O-N 3.17Å; L133-T136 CarbonylContact O-C 3.6Å; L133-T136 PolarHBondContact O-N 2.77Å; L133-T136 PolarHBondContact O-OG1 2.86Å; L133-T136 VanDerWaalsContact O-OG1 3.07Å; L133-K137 PolarHBondContact O-N 2.82Å
134E87.6Confident84.4Confident103 Ų10386.9 Ų86.948%0.48141%0.411SS..Hα-helixtrans-61.5-29.8179.8-163.567.5-161.100111.8L130 T136 K137L130-E134 WeakPolarHBondContact O-CB 3.44Å; L130-E134 PolarHBondContact O-N 2.86Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; E134-K137 VanDerWaalsContact O-CB 3.25Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.83Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.15Å; E134-K137 PolarHBondContact OE1-NZ 3.01Å
135K88.5Confident83.8Confident182 Ų18281.8 Ų81.879%0.79140%0.396SS*.Hα-helixtrans-68.1-27.3173.5-71.6172.2-177.2-177.60113.5N131 R132 L133N131-K135 WeakPolarHBondContact O-CG 3.23Å; N131-K135 PolarHBondContact O-N 3.05Å; R132-K135 PolarHBondContact O-N 2.88Å; L133-K135 PolarHBondContact O-N 3.17Å
136T88.1Confident83.5Confident41 Ų4179.3 Ų79.325%0.25239%0.394SS..THydrogen-bonded Turntrans-98.27.7178.864.70000112.5T6 L133 E134 V138T6-T136 PolarHBondContact N-OG1 3.26Å; T6-T136 WeakPolarHBondContact O-CB 3.45Å; T6-T136 PolarHBondContact O-OG1 3.17Å; L133-T136 CarbonylContact O-C 3.6Å; L133-T136 PolarHBondContact O-N 2.77Å; L133-T136 PolarHBondContact O-OG1 2.86Å; L133-T136 VanDerWaalsContact O-OG1 3.07Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; T136-V138 PolarHBondContact O-N 2.89Å
137K89.1Confident83.2Confident65 Ų6580.7 Ų80.728%0.28340%0.397SS..  trans-67.9124.3178.4-176.9176.9168-179.10111F3 Y4 F5 L133 E134F3-K137 HydrophobicContact CD1-CD 4.4Å; F3-K137 HydrophobicContact CD1-CG 4.38Å; F3-K137 VanDerWaalsContact CE1-CE 3.49Å; Y4-K137 CarbonylContact O-C 3.52Å; Y4-K137 VanDerWaalsContact O-CA 3.3Å; Y4-K137 WeakPolarHBondContact O-CA 3.42Å; F5-K137 HydrophobicContact CD1-CB 3.92Å; F5-K137 HydrophobicContact CD1-CG 4.3Å; F5-K137 HydrophobicContact CE1-CB 3.61Å; F5-K137 HydrophobicContact CE1-CD 3.85Å; F5-K137 HydrophobicContact CE1-CG 3.63Å; F5-K137 HydrophobicContact CZ-CB 4.37Å; F5-K137 HydrophobicContact CZ-CD 4.04Å; F5-K137 HydrophobicContact CZ-CG 3.88Å; L133-K137 PolarHBondContact O-N 2.82Å; E134-K137 VanDerWaalsContact O-CB 3.25Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.83Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.15Å; E134-K137 PolarHBondContact OE1-NZ 3.01Å
138V90.4Very high82.8Confident64 Ų6478.3 Ų78.339%0.38838%0.382SS..EExtended strand (participates in β ladder)trans-125.7121.6175.2-1770000108.5Y4 T136 R140Y4-V138 PolarHBondContact N-O 2.86Å; Y4-V138 PolarHBondContact O-N 3.27Å; T136-V138 PolarHBondContact O-N 2.89Å; V138-R140 HydrophobicContact CG1-CG 3.91Å
139E89.3Confident82.2Confident109 Ų10975.5 Ų75.551%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-85.4124.4175.5-44.5-165.3168.700109F3F3-E139 HydrophobicContact CD1-CB 4.45Å; F3-E139 HydrophobicContact CD1-CG 3.83Å; F3-E139 HydrophobicContact CE1-CG 3.85Å; F3-E139 WeakPolarHBondContact CE1-OE1 3.48Å
140R85.1Confident81.9Confident155 Ų15577.5 Ų77.559%0.58538%0.384SS*.EExtended strand (participates in β ladder)trans-131.2160174.9-59-158.3-178.7-163.23.6111.5V2 Y4 V138 P142V2-R140 PolarHBondContact N-O 3.12Å; V2-R140 PolarHBondContact O-N 2.98Å; V2-R140 VanDerWaalsContact O-O 3.11Å; Y4-R140 HydrophobicContact CD2-CB 3.91Å; Y4-R140 HydrophobicContact CD2-CG 4.02Å; Y4-R140 HydrophobicContact CE2-CB 3.81Å; Y4-R140 HydrophobicContact CE2-CG 4.32Å; V138-R140 HydrophobicContact CG1-CG 3.91Å; R140-P142 VanDerWaalsContact O-CD 3.28Å; R140-P142 WeakPolarHBondContact O-CD 3.45Å
141F79.8Confident81.5Confident161 Ų16178 Ų7871%0.70639%0.385SS*.  trans-115.870170.1-63.9-93.9000107.9M1M1-F141 HydrophobicContact CB-CD1 4.06Å; M1-F141 HydrophobicContact CB-CE1 3.54Å; M1-F141 HydrophobicContact CB-CZ 4.02Å; M1-F141 HydrophobicContact CG-CD1 4.38Å; M1-F141 HydrophobicContact CG-CE1 3.75Å; M1-F141 HydrophobicContact CG-CE2 4.28Å; M1-F141 HydrophobicContact CG-CZ 3.68Å; M1-F141 HydrophobicContact SD-CE1 4.17Å; M1-F141 HydrophobicContact SD-CE2 4.48Å; M1-F141 HydrophobicContact SD-CZ 3.71Å
142P72.7Confident81Confident31 Ų3175.9 Ų75.920%0.20137%0.374CS..  trans-66.1139.2179.631.6-37.7000109.9V2 Y4 R140 L144V2-P142 HydrophobicContact CB-CG 4Å; V2-P142 HydrophobicContact CG2-CG 3.77Å; Y4-P142 HydrophobicContact CE2-CG 4.09Å; Y4-P142 WeakPolarHBondContact OH-CB 3.34Å; Y4-P142 VanDerWaalsContact OH-CG 3.31Å; Y4-P142 WeakPolarHBondContact OH-CG 3.12Å; R140-P142 VanDerWaalsContact O-CD 3.28Å; R140-P142 WeakPolarHBondContact O-CD 3.45Å; P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 HydrophobicContact CB-CD2 4.04Å; P142-L144 HydrophobicContact CB-CG 4.44Å; P142-L144 HydrophobicContact CG-CD2 3.73Å; P142-L144 HydrophobicContact CG-CG 4.06Å; P142-L144 PolarHBondContact O-N 3.28Å; P142-L144 VanDerWaalsContact O-N 3.15Å
143D76.2Confident80.6Confident104 Ų10478 Ų7856%0.55638%0.382SS*.  trans-81.885.2163.1-171-17.6000108.1A145 A146 E147D143-A145 PolarHBondContact O-N 2.87Å; D143-A145 PolarHBondContact OD1-N 3.27Å; D143-A146 HydrophobicContact CB-CB 3.93Å; D143-A146 PolarHBondContact O-N 2.77Å; D143-A146 VanDerWaalsContact O-N 3.15Å; D143-A146 PolarHBondContact OD1-N 3.39Å; D143-A146 VanDerWaalsContact OD1-N 3.16Å; D143-E147 PolarHBondContact O-N 3.36Å
144L72.9Confident80.4Confident22 Ų2283.2 Ų83.212%0.11541%0.406CS..Hα-helixtrans-59-32.4-175.3-61.5168.1000112.1D28 L29 H32 P142 K148D28-L144 HydrophobicContact CB-CD1 4.17Å; L29-L144 HydrophobicContact CD2-CD1 3.42Å; L29-L144 VanDerWaalsContact CD2-CD1 3.42Å; L29-L144 HydrophobicContact CD2-CD2 3.66Å; L29-L144 HydrophobicContact CD2-CG 4.19Å; L29-L144 HydrophobicContact CG-CD1 3.87Å; H32-L144 HydrophobicContact CB-CB 3.81Å; P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 HydrophobicContact CB-CD2 4.04Å; P142-L144 HydrophobicContact CB-CG 4.44Å; P142-L144 HydrophobicContact CG-CD2 3.73Å; P142-L144 HydrophobicContact CG-CG 4.06Å; P142-L144 PolarHBondContact O-N 3.28Å; P142-L144 VanDerWaalsContact O-N 3.15Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 PolarHBondContact O-N 3.21Å; L144-K148 VanDerWaalsContact O-N 3.13Å
145A71Confident80.2Confident42 Ų4281.5 Ų81.535%0.34740%0.398SS..Hα-helixtrans-68.5-45.917800000110.7D143 K148 E149D143-A145 PolarHBondContact O-N 2.87Å; D143-A145 PolarHBondContact OD1-N 3.27Å; A145-K148 PolarHBondContact O-N 3.27Å; A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 3.41Å
146A72.4Confident79.8Confident46 Ų4679.1 Ų79.138%0.3838%0.384SS..Hα-helixtrans-64.5-42177.100000112.5D143 E149 C150D143-A146 HydrophobicContact CB-CB 3.93Å; D143-A146 PolarHBondContact O-N 2.77Å; D143-A146 VanDerWaalsContact O-N 3.15Å; D143-A146 PolarHBondContact OD1-N 3.39Å; D143-A146 VanDerWaalsContact OD1-N 3.16Å; A146-E149 PolarHBondContact O-N 3.19Å; A146-C150 VanDerWaalsContact O-CB 3.27Å; A146-C150 WeakPolarHBondContact O-CB 3.11Å; A146-C150 PolarHBondContact O-N 3.41Å
147E76.9Confident79.7Confident83 Ų8381.5 Ų81.539%0.38840%0.395SS..Hα-helixtrans-63.1-44.6178.5-71.7-170.4136.900111.9D143 R151D143-E147 PolarHBondContact O-N 3.36Å; E147-R151 PolarHBondContact O-N 2.82Å; E147-R151 VanDerWaalsContact O-N 3.1Å
148K75.5Confident79.5Confident41 Ų4183.7 Ų83.718%0.17841%0.407CS..Hα-helixtrans-66.1-44.9176.5-179.4166.9178.5166.60111.7K31 H32 L144 A145 C150 R151 D152K31-K148 PolarHBondContact O-NZ 3.48Å; H32-K148 HydrophobicContact CB-CB 4.42Å; H32-K148 HydrophobicContact CB-CD 4.1Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 PolarHBondContact O-N 3.21Å; L144-K148 VanDerWaalsContact O-N 3.13Å; A145-K148 PolarHBondContact O-N 3.27Å; K148-C150 VanDerWaalsContact C-N 3.31Å; K148-C150 PolarHBondContact O-N 2.85Å; K148-R151 PolarHBondContact O-N 3.31Å; K148-D152 WeakPolarHBondContact O-CB 3.42Å; K148-D152 VanDerWaalsContact O-CG 3.28Å; K148-D152 PolarHBondContact O-N 2.86Å
149E76.3Confident79.3Confident98 Ų9885.7 Ų85.746%0.45841%0.41SS..Hα-helixtrans-63.3-39.2179.1-164.5-165.3157.900111.7A145 A146 D152 R153A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 3.41Å; A146-E149 PolarHBondContact O-N 3.19Å; E149-D152 PolarHBondContact O-N 3.01Å; E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 PolarHBondContact O-N 3.22Å; E149-R153 IonicContact OE1-CZ 3.68Å; E149-R153 IonicContact OE1-NH2 2.69Å; E149-R153 PolarHBondContact OE1-NH2 2.8Å
150C77.7Confident79.2Confident68 Ų6886.5 Ų86.546%0.45941%0.412SS..Hα-helixtrans-59.5-52.4175.7-170.20000110.5A146 K148 D152 R153 E154A146-C150 VanDerWaalsContact O-CB 3.27Å; A146-C150 WeakPolarHBondContact O-CB 3.11Å; A146-C150 PolarHBondContact O-N 3.41Å; K148-C150 VanDerWaalsContact C-N 3.31Å; K148-C150 PolarHBondContact O-N 2.85Å; C150-D152 PolarHBondContact O-N 3.26Å; C150-R153 WeakPolarHBondContact O-CB 3.38Å; C150-R153 PolarHBondContact O-N 2.79Å; C150-R153 VanDerWaalsContact O-N 3.15Å; C150-E154 WeakPolarHBondContact O-CG 3.21Å; C150-E154 PolarHBondContact O-N 2.99Å
151R78.2Confident79.4Confident31 Ų3181.7 Ų81.712%0.11741%0.406CS..Hα-helixtrans-59.5-46.4177.6-166.3-148.4-160.9-130.34.5112E36 E147 K148 R153 E154 E155E36-R151 IonicContact OE1-NH2 3.77Å; E36-R151 PolarHBondContact OE1-NH2 3.25Å; E36-R151 VanDerWaalsContact OE1-NH2 3.14Å; E36-R151 IonicContact OE2-NH2 3.94Å; E36-R151 PolarHBondContact OE2-NH2 3.44Å; E147-R151 PolarHBondContact O-N 2.82Å; E147-R151 VanDerWaalsContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 3.31Å; R151-R153 VanDerWaalsContact C-N 3.25Å; R151-R153 PolarHBondContact O-N 3Å; R151-E154 PolarHBondContact O-N 3.26Å; R151-E155 IonicContact NH1-OE2 3.85Å; R151-E155 WeakPolarHBondContact O-CB 3.28Å; R151-E155 PolarHBondContact O-N 3.21Å
152D78.7Confident79.8Confident60 Ų6080.2 Ų80.232%0.32140%0.401SS..Hα-helixtrans-67.2-28.1179.8-73.1-13.8000111.8K148 E149 C150 R156K148-D152 WeakPolarHBondContact O-CB 3.42Å; K148-D152 VanDerWaalsContact O-CG 3.28Å; K148-D152 PolarHBondContact O-N 2.86Å; E149-D152 PolarHBondContact O-N 3.01Å; C150-D152 PolarHBondContact O-N 3.26Å; D152-R156 VanDerWaalsContact O-CB 3.25Å; D152-R156 WeakPolarHBondContact O-CB 3.13Å; D152-R156 WeakPolarHBondContact O-CG 3.3Å; D152-R156 PolarHBondContact O-N 3.2Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NE 2.84Å
153R80.1Confident80.5Confident129 Ų12983.1 Ų83.149%0.48741%0.414SS..Hα-helixtrans-74.5-44.3173.2-172.3-176.6-63.6-172.40.4111E149 C150 R151 R156 N157E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 PolarHBondContact O-N 3.22Å; E149-R153 IonicContact OE1-CZ 3.68Å; E149-R153 IonicContact OE1-NH2 2.69Å; E149-R153 PolarHBondContact OE1-NH2 2.8Å; C150-R153 WeakPolarHBondContact O-CB 3.38Å; C150-R153 PolarHBondContact O-N 2.79Å; C150-R153 VanDerWaalsContact O-N 3.15Å; R151-R153 VanDerWaalsContact C-N 3.25Å; R151-R153 PolarHBondContact O-N 3Å; R153-R156 PolarHBondContact O-N 2.95Å; R153-N157 WeakPolarHBondContact O-CB 3.12Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-ND2 2.78Å
154E82.6Confident81.2Confident112 Ų11284.8 Ų84.852%0.52342%0.418SS..Hα-helixtrans-59.7-50.8174.1-71.7178.7100.300110.8C150 R151 R156 N157 E158C150-E154 WeakPolarHBondContact O-CG 3.21Å; C150-E154 PolarHBondContact O-N 2.99Å; R151-E154 PolarHBondContact O-N 3.26Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 2.93Å; E154-N157 CarbonylContact O-C 3.55Å; E154-N157 WeakPolarHBondContact O-CB 3.38Å; E154-N157 PolarHBondContact O-N 2.77Å; E154-E158 WeakPolarHBondContact O-CG 3.28Å; E154-E158 PolarHBondContact O-N 2.96Å
155E82Confident82Confident68 Ų6886.4 Ų86.432%0.31843%0.425SS..Hα-helixtrans-62-38.8179-166.7-173.410200111.9R151 K159R151-E155 IonicContact NH1-OE2 3.85Å; R151-E155 WeakPolarHBondContact O-CB 3.28Å; R151-E155 PolarHBondContact O-N 3.21Å; E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 VanDerWaalsContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 VanDerWaalsContact O-CG 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 2.98Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å
156R81.8Confident82.9Confident131 Ų13190 Ų9049%0.49444%0.436SS..Hα-helixtrans-65.9-39.4173.5-80.9-176.2-64.3163.6-2.1112.2D152 R153 E154 K160D152-R156 VanDerWaalsContact O-CB 3.25Å; D152-R156 WeakPolarHBondContact O-CB 3.13Å; D152-R156 WeakPolarHBondContact O-CG 3.3Å; D152-R156 PolarHBondContact O-N 3.2Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NE 2.84Å; R153-R156 PolarHBondContact O-N 2.95Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 2.93Å; R156-K160 WeakPolarHBondContact O-CB 3.48Å; R156-K160 WeakPolarHBondContact O-CG 3.25Å; R156-K160 PolarHBondContact O-N 3.32Å
157N85.5Confident83.8Confident91 Ų9193.7 Ų93.749%0.48744%0.444SS..Hα-helixtrans-68.7-42.9178.2-73.2-12.5000111R153 E154 K160 A161R153-N157 WeakPolarHBondContact O-CB 3.12Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-ND2 2.78Å; E154-N157 CarbonylContact O-C 3.55Å; E154-N157 WeakPolarHBondContact O-CB 3.38Å; E154-N157 PolarHBondContact O-N 2.77Å; N157-K160 PolarHBondContact O-N 2.87Å; N157-A161 WeakPolarHBondContact O-CB 3.42Å; N157-A161 PolarHBondContact O-N 2.93Å
158E85.3Confident84.5Confident111 Ų11195.4 Ų95.452%0.51945%0.446SS..Hα-helixtrans-61.1-48.7173.8-71.4-179.6140.700111.3E154 K160 A161 Q162E154-E158 WeakPolarHBondContact O-CG 3.28Å; E154-E158 PolarHBondContact O-N 2.96Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.18Å; E158-A161 PolarHBondContact O-N 2.83Å; E158-Q162 WeakPolarHBondContact O-CB 3.26Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3.25Å
159K85.5Confident85.2Confident107 Ų107100.3 Ų100.347%0.46546%0.464SS..Hα-helixtrans-59.1-42.8175.4-77.1172.5176.1170.50111.8E155 Q162 I163E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 VanDerWaalsContact O-CB 3.3Å; E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 VanDerWaalsContact O-CG 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 2.98Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-I163 WeakPolarHBondContact O-CB 3.48Å; K159-I163 WeakPolarHBondContact O-CD1 3.48Å; K159-I163 WeakPolarHBondContact O-CG1 3.2Å; K159-I163 PolarHBondContact O-N 2.93Å
160K87.2Confident85.9Confident125 Ų125100.9 Ų100.954%0.54347%0.467SS..Hα-helixtrans-63.6-43.9175.5-78.4175.8179.2-177.20111.7R156 N157 E158 I163 Q164R156-K160 WeakPolarHBondContact O-CB 3.48Å; R156-K160 WeakPolarHBondContact O-CG 3.25Å; R156-K160 PolarHBondContact O-N 3.32Å; N157-K160 PolarHBondContact O-N 2.87Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.18Å; K160-I163 PolarHBondContact O-N 3.43Å; K160-Q164 WeakPolarHBondContact O-CB 3.27Å; K160-Q164 VanDerWaalsContact O-CG 3.27Å; K160-Q164 WeakPolarHBondContact O-CG 3.39Å; K160-Q164 PolarHBondContact O-N 3.39Å
161A88.7Confident86.5Confident55 Ų55105.1 Ų105.146%0.45548%0.477SS..Hα-helixtrans-63.6-42.9177.500000111.5N157 E158 Q164 E165N157-A161 WeakPolarHBondContact O-CB 3.42Å; N157-A161 PolarHBondContact O-N 2.93Å; E158-A161 PolarHBondContact O-N 2.83Å; A161-Q164 PolarHBondContact O-N 2.98Å; A161-E165 VanDerWaalsContact O-CB 3.29Å; A161-E165 WeakPolarHBondContact O-CB 3.48Å; A161-E165 PolarHBondContact O-N 3.46Å
162Q88.2Confident87.1Confident130 Ų130107.6 Ų107.661%0.60749%0.49SS*.Hα-helixtrans-62.4-44.7175.2-72.1175.21500112E158 K159 E165 M166E158-Q162 WeakPolarHBondContact O-CB 3.26Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3.25Å; K159-Q162 PolarHBondContact O-N 3.46Å; Q162-E165 PolarHBondContact O-N 2.81Å; Q162-M166 VanDerWaalsContact O-CB 3.31Å; Q162-M166 WeakPolarHBondContact O-CB 3.14Å; Q162-M166 PolarHBondContact O-N 3.07Å
163I87.9Confident87.7Confident91 Ų91111.1 Ų111.147%0.46751%0.505SS..Hα-helixtrans-65.5-40.5176.8-68.3164.8000111.1K159 K160 K167K159-I163 WeakPolarHBondContact O-CB 3.48Å; K159-I163 WeakPolarHBondContact O-CD1 3.48Å; K159-I163 WeakPolarHBondContact O-CG1 3.2Å; K159-I163 PolarHBondContact O-N 2.93Å; K160-I163 PolarHBondContact O-N 3.43Å; I163-K167 HydrophobicContact CG2-CD 4.21Å; I163-K167 WeakPolarHBondContact O-CB 3.35Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.34Å; I163-K167 PolarHBondContact O-N 2.87Å
164Q90.3Very high88.1Confident139 Ų139110.1 Ų110.165%0.6551%0.507SS*.Hα-helixtrans-65.8-43176.8-77.1178.9-0.300111.6K160 A161 K167 R168K160-Q164 WeakPolarHBondContact O-CB 3.27Å; K160-Q164 VanDerWaalsContact O-CG 3.27Å; K160-Q164 WeakPolarHBondContact O-CG 3.39Å; K160-Q164 PolarHBondContact O-N 3.39Å; A161-Q164 PolarHBondContact O-N 2.98Å; Q164-K167 PolarHBondContact O-N 3.02Å; Q164-R168 WeakPolarHBondContact O-CB 3.25Å; Q164-R168 PolarHBondContact O-N 3.42Å
165E90.3Very high88.5Confident57 Ų57111 Ų11127%0.26651%0.509SS..Hα-helixtrans-65.1-42.4176.5177.559.8-170.800111.5A161 Q162 R168 R169A161-E165 VanDerWaalsContact O-CB 3.29Å; A161-E165 WeakPolarHBondContact O-CB 3.48Å; A161-E165 PolarHBondContact O-N 3.46Å; Q162-E165 PolarHBondContact O-N 2.81Å; E165-R168 VanDerWaalsContact CD-NH2 3.26Å; E165-R168 PolarHBondContact O-N 3.2Å; E165-R168 IonicContact OE1-CZ 2.87Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.07Å; E165-R168 IonicContact OE2-CZ 3.26Å; E165-R168 VanDerWaalsContact OE2-CZ 3.28Å; E165-R168 IonicContact OE2-NE 2.86Å; E165-R168 PolarHBondContact OE2-NE 3.49Å; E165-R168 IonicContact OE2-NH2 3.77Å; E165-R168 PolarHBondContact OE2-NH2 3.36Å; E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3Å; E165-R169 IonicContact OE1-CZ 3.86Å; E165-R169 IonicContact OE1-NE 2.78Å; E165-R169 PolarHBondContact OE1-NE 3.45Å; E165-R169 IonicContact OE1-NH2 2.83Å; E165-R169 PolarHBondContact OE1-NH2 3.28Å
166M89Confident88.9Confident118 Ų118114 Ų11458%0.58152%0.521SS*.Hα-helixtrans-59.8-49173.9-172.3-176.4-68.500111Q162 R168 R169 E170Q162-M166 VanDerWaalsContact O-CB 3.31Å; Q162-M166 WeakPolarHBondContact O-CB 3.14Å; Q162-M166 PolarHBondContact O-N 3.07Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 3.37Å; M166-R169 PolarHBondContact O-N 2.63Å; M166-E170 WeakPolarHBondContact O-CG 3.37Å; M166-E170 PolarHBondContact O-N 3.13Å
167K91.8Very high89.2Confident123 Ų123114 Ų11454%0.53553%0.525SS..Hα-helixtrans-62.4-34.2175.9-75.2-179.9179.5-175.70113I163 Q164 K171I163-K167 HydrophobicContact CG2-CD 4.21Å; I163-K167 WeakPolarHBondContact O-CB 3.35Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.34Å; I163-K167 PolarHBondContact O-N 2.87Å; Q164-K167 PolarHBondContact O-N 3.02Å; K167-K171 WeakPolarHBondContact O-CB 3.46Å; K167-K171 VanDerWaalsContact O-CG 3.26Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.31Å; K167-K171 VanDerWaalsContact O-N 3.1Å
168R91.5Very high89.2Confident118 Ų118117 Ų11745%0.44553%0.529SS..Hα-helixtrans-67.4-47176.1-172.5-177.269.690.9-3.3110.4Q164 E165 M166 K171 E172Q164-R168 WeakPolarHBondContact O-CB 3.25Å; Q164-R168 PolarHBondContact O-N 3.42Å; E165-R168 VanDerWaalsContact CD-NH2 3.26Å; E165-R168 PolarHBondContact O-N 3.2Å; E165-R168 IonicContact OE1-CZ 2.87Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.07Å; E165-R168 IonicContact OE2-CZ 3.26Å; E165-R168 VanDerWaalsContact OE2-CZ 3.28Å; E165-R168 IonicContact OE2-NE 2.86Å; E165-R168 PolarHBondContact OE2-NE 3.49Å; E165-R168 IonicContact OE2-NH2 3.77Å; E165-R168 PolarHBondContact OE2-NH2 3.36Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 3.37Å; R168-K171 PolarHBondContact O-N 3.04Å; R168-E172 IonicContact CZ-OE1 3.14Å; R168-E172 IonicContact NH1-OE1 2.82Å; R168-E172 PolarHBondContact NH1-OE1 2.94Å; R168-E172 IonicContact NH1-OE2 3.65Å; R168-E172 PolarHBondContact NH1-OE2 3.45Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.42Å
169R90.8Very high89.2Confident144 Ų144116 Ų11654%0.54352%0.524SS..Hα-helixtrans-59.8-47.8175.6-71.9178.9-173-167.51.4112E165 M166 K171 E172 E173E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3Å; E165-R169 IonicContact OE1-CZ 3.86Å; E165-R169 IonicContact OE1-NE 2.78Å; E165-R169 PolarHBondContact OE1-NE 3.45Å; E165-R169 IonicContact OE1-NH2 2.83Å; E165-R169 PolarHBondContact OE1-NH2 3.28Å; M166-R169 PolarHBondContact O-N 2.63Å; R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.96Å; R169-E172 PolarHBondContact O-N 2.9Å; R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 2.86Å
170E90.7Very high89.1Confident110 Ų110116 Ų11651%0.51453%0.527SS..Hα-helixtrans-59.6-41177-72.7178.2152.100112.4M166 M174M166-E170 WeakPolarHBondContact O-CG 3.37Å; M166-E170 PolarHBondContact O-N 3.13Å; E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.3Å; E170-M174 PolarHBondContact O-N 3.4Å
171K91.4Very high89Confident157 Ų157113.8 Ų113.868%0.68352%0.522SS*.Hα-helixtrans-66.4-41175.6-77.5178.5179.2-173.90112.4K167 R168 R169 M174 K175K167-K171 WeakPolarHBondContact O-CB 3.46Å; K167-K171 VanDerWaalsContact O-CG 3.26Å; K167-K171 WeakPolarHBondContact O-CG 3.44Å; K167-K171 PolarHBondContact O-N 3.31Å; K167-K171 VanDerWaalsContact O-N 3.1Å; R168-K171 PolarHBondContact O-N 3.04Å; R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.96Å; K171-M174 PolarHBondContact O-N 3.17Å; K171-K175 WeakPolarHBondContact O-CB 3.46Å; K171-K175 PolarHBondContact O-N 3.31Å
172E90.9Very high88.7Confident83 Ų83117.5 Ų117.539%0.38853%0.529SS..Hα-helixtrans-66-41.7176.9-75.5174.9-17000111.7R168 R169 K175 K176R168-E172 IonicContact CZ-OE1 3.14Å; R168-E172 IonicContact NH1-OE1 2.82Å; R168-E172 PolarHBondContact NH1-OE1 2.94Å; R168-E172 IonicContact NH1-OE2 3.65Å; R168-E172 PolarHBondContact NH1-OE2 3.45Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.42Å; R169-E172 PolarHBondContact O-N 2.9Å; E172-K175 PolarHBondContact O-N 2.75Å; E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.32Å; E172-K176 PolarHBondContact O-N 3.37Å
173E90.8Very high88Confident135 Ų135118.8 Ų118.863%0.63154%0.54SS*.Hα-helixtrans-64.4-43.2174.4-73.6179.4175.300111.9R169 K175 K176 K177R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 2.86Å; E173-K175 VanDerWaalsContact C-N 3.35Å; E173-K175 PolarHBondContact O-N 3.5Å; E173-K176 PolarHBondContact O-N 3.04Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å
174M88.6Confident87.5Confident108 Ų108123.8 Ų123.853%0.53255%0.553SS.*Hα-helixtrans-64.3-39.6175.9-168.9-175.8-6400111.8E170 K171 K177 R178E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.3Å; E170-M174 PolarHBondContact O-N 3.4Å; K171-M174 PolarHBondContact O-N 3.17Å; M174-K177 PolarHBondContact O-N 3.42Å; M174-R178 WeakPolarHBondContact O-CG 3.4Å; M174-R178 PolarHBondContact O-N 2.99Å; M174-R178 PolarHBondContact SD-NH2 3.41Å; M174-R178 VanDerWaalsContact SD-NH2 3.41Å
175K90.5Very high86.6Confident131 Ų131119.6 Ų119.657%0.5754%0.538SS*.Hα-helixtrans-65.8-47.7176.3-174.6177.9171.7-1750111.4K171 E172 E173 K177 R178 E179K171-K175 WeakPolarHBondContact O-CB 3.46Å; K171-K175 PolarHBondContact O-N 3.31Å; E172-K175 PolarHBondContact O-N 2.75Å; E173-K175 VanDerWaalsContact C-N 3.35Å; E173-K175 PolarHBondContact O-N 3.5Å; K175-K177 VanDerWaalsContact C-N 3.29Å; K175-K177 PolarHBondContact O-N 3.23Å; K175-R178 PolarHBondContact O-N 2.89Å; K175-E179 WeakPolarHBondContact CE-OE1 3.45Å; K175-E179 IonicContact NZ-OE1 3.88Å; K175-E179 WeakPolarHBondContact O-CG 3.23Å; K175-E179 PolarHBondContact O-N 2.82Å
176K89.6Confident85.4Confident130 Ų130125.5 Ų125.557%0.56556%0.56SS**Hα-helixtrans-59.3-39.4175.4-74.9177.9-179.4178.90112.2E172 E173 M180E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.32Å; E172-K176 PolarHBondContact O-N 3.37Å; E173-K176 PolarHBondContact O-N 3.04Å; K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.47Å
177K89.4Confident84.2Confident132 Ų132123.3 Ų123.357%0.57456%0.556SS**Hα-helixtrans-63.9-46175.6-173.4174.3178.7179.10111.6E173 M174 K175 M180 D181E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å; M174-K177 PolarHBondContact O-N 3.42Å; K175-K177 VanDerWaalsContact C-N 3.29Å; K175-K177 PolarHBondContact O-N 3.23Å; K177-M180 PolarHBondContact O-N 2.87Å; K177-D181 WeakPolarHBondContact O-CB 3.33Å; K177-D181 VanDerWaalsContact O-CG 3.24Å; K177-D181 PolarHBondContact O-N 3.34Å
178R85.9Confident82.7Confident154 Ų154121 Ų12158%0.58156%0.556SS**Hα-helixtrans-61.2-45175.7-72.3176.2-173.1-171.62.4112.3M174 K175 M180 D181 E182M174-R178 WeakPolarHBondContact O-CG 3.4Å; M174-R178 PolarHBondContact O-N 2.99Å; M174-R178 PolarHBondContact SD-NH2 3.41Å; M174-R178 VanDerWaalsContact SD-NH2 3.41Å; K175-R178 PolarHBondContact O-N 2.89Å; R178-M180 PolarHBondContact O-N 3.35Å; R178-D181 PolarHBondContact O-N 3.24Å; R178-E182 WeakPolarHBondContact O-CB 3.38Å; R178-E182 WeakPolarHBondContact O-CG 3.17Å; R178-E182 PolarHBondContact O-N 2.95Å
179E84.9Confident81Confident89 Ų89120.7 Ų120.742%0.41656%0.562SS.*Hα-helixtrans-62.1-41.4177.4-72.2172.9171.800111.7K175 E182 L183K175-E179 WeakPolarHBondContact CE-OE1 3.45Å; K175-E179 IonicContact NZ-OE1 3.88Å; K175-E179 WeakPolarHBondContact O-CG 3.23Å; K175-E179 PolarHBondContact O-N 2.82Å; E179-E182 PolarHBondContact O-N 2.86Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CD1 3.37Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 2.79Å
180M83.2Confident79.4Confident106 Ų106120.5 Ų120.552%0.52257%0.569SS.*Hα-helixtrans-65.8-40.1174.2-76.6-167-67.600112.9K176 K177 R178 L183 R184K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.47Å; K177-M180 PolarHBondContact O-N 2.87Å; R178-M180 PolarHBondContact O-N 3.35Å; M180-L183 PolarHBondContact O-N 2.73Å; M180-R184 WeakPolarHBondContact O-CB 3.49Å; M180-R184 VanDerWaalsContact O-CG 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.13Å; M180-R184 PolarHBondContact O-N 3.44Å
181D84.8Confident78.2Confident80 Ų80120.6 Ų120.643%0.42857%0.568SS.*Hα-helixtrans-68.6-36.5177.5-70.1-22000111.2K177 R178 R184 S185K177-D181 WeakPolarHBondContact O-CB 3.33Å; K177-D181 VanDerWaalsContact O-CG 3.24Å; K177-D181 PolarHBondContact O-N 3.34Å; R178-D181 PolarHBondContact O-N 3.24Å; D181-R184 PolarHBondContact O-N 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.31Å; D181-S185 PolarHBondContact O-N 3.26Å
182E81.4Confident76.8Confident133 Ų133118.9 Ų118.962%0.62157%0.57SS**Hα-helixtrans-66.6-42.7172.9-77.5177-166.800112.1R178 E179 R184 S185R178-E182 WeakPolarHBondContact O-CB 3.38Å; R178-E182 WeakPolarHBondContact O-CG 3.17Å; R178-E182 PolarHBondContact O-N 2.95Å; E179-E182 PolarHBondContact O-N 2.86Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-S185 PolarHBondContact O-N 2.85Å
183L75.2Confident75.5Confident157 Ų157123.1 Ų123.182%0.82259%0.59SS**Hα-helixtrans-65.1-32.2174.2-83.1155.6000112.8E179 M180E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CD1 3.37Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 2.79Å; M180-L183 PolarHBondContact O-N 2.73Å
184R77.2Confident74.2Confident196 Ų196121.8 Ų121.874%0.7459%0.587SS**Hα-helixtrans-77.5-23.4173.9-75.9175.7178.1-172.9-0.7112.9M180 D181 E182M180-R184 WeakPolarHBondContact O-CB 3.49Å; M180-R184 VanDerWaalsContact O-CG 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.13Å; M180-R184 PolarHBondContact O-N 3.44Å; D181-R184 PolarHBondContact O-N 3.31Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.47Å
185S71.3Confident72.8Confident50 Ų50121.4 Ų121.435%0.3559%0.585SS.*  trans-87.8117.5-178169.60000110.6D181 E182 S187D181-S185 WeakPolarHBondContact O-CB 3.31Å; D181-S185 PolarHBondContact O-N 3.26Å; E182-S185 PolarHBondContact O-N 2.85Å; S185-S187 PolarHBondContact O-N 2.99Å; S185-S187 WeakPolarHBondContact OG-CB 3.42Å; S185-S187 PolarHBondContact OG-N 3.29Å; S185-S187 PolarHBondContact OG-OG 3.37Å
186Y63.8Low71.4Confident181 Ų181120.1 Ų120.171%0.7159%0.593SS**G310 helixtrans-65.711.1171.5-66.1-70.2000114.4S188 L189 M190Y186-S188 PolarHBondContact O-N 2.69Å; Y186-L189 HydrophobicContact CD1-CD1 3.55Å; Y186-L189 HydrophobicContact CD1-CG 4.44Å; Y186-L189 HydrophobicContact CE1-CD1 4.18Å; Y186-L189 WeakPolarHBondContact O-CB 3.09Å; Y186-L189 PolarHBondContact O-N 2.85Å; Y186-M190 PolarHBondContact O-N 3.26Å
187S64.1Low70Confident73 Ų73117.9 Ų117.951%0.5159%0.593SS.*G310 helixtrans-57.2-29.5-179.960.80000114.1S185 L189 M190S185-S187 PolarHBondContact O-N 2.99Å; S185-S187 WeakPolarHBondContact OG-CB 3.42Å; S185-S187 PolarHBondContact OG-N 3.29Å; S185-S187 PolarHBondContact OG-OG 3.37Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-M190 PolarHBondContact O-N 3.48Å
188S61.2Low68.8Low75 Ų75119 Ų11952%0.52461%0.605SS.*G310 helixtrans-72.9-22.3174.863.50000113.5Y186Y186-S188 PolarHBondContact O-N 2.69Å
189L55.5Low67.5Low110 Ų110119.8 Ų119.858%0.57662%0.616SS**THydrogen-bonded Turntrans-84.1-28.6173.7-60.8-177.4000112.1Y186 S187 K191Y186-L189 HydrophobicContact CD1-CD1 3.55Å; Y186-L189 HydrophobicContact CD1-CG 4.44Å; Y186-L189 HydrophobicContact CE1-CD1 4.18Å; Y186-L189 WeakPolarHBondContact O-CB 3.09Å; Y186-L189 PolarHBondContact O-N 2.85Å; S187-L189 VanDerWaalsContact C-N 3.31Å; L189-K191 PolarHBondContact O-N 3.34Å
190M58Low66Low140 Ų140123 Ų12369%0.6964%0.636SS**  trans-85.840.6178-69-81.7-16700112.8Y186 S187 M195Y186-M190 PolarHBondContact O-N 3.26Å; S187-M190 PolarHBondContact O-N 3.48Å; M190-M195 HydrophobicContact CB-CE 4.12Å; M190-M195 WeakPolarHBondContact O-CE 3.24Å; M190-M195 HydrophobicContact SD-CE 4.42Å
191K64.9Low64.3Low112 Ų112121.6 Ų121.649%0.48765%0.649SS.*  trans-82.6137170.4-73.7-177.8177.4-176.20109.6L189 E193 N194 M195L189-K191 PolarHBondContact O-N 3.34Å; K191-E193 PolarHBondContact O-N 3.3Å; K191-E193 VanDerWaalsContact O-N 3.12Å; K191-N194 WeakPolarHBondContact O-CA 3.47Å; K191-N194 PolarHBondContact O-N 2.98Å; K191-M195 PolarHBondContact O-N 3.09Å
192V62.1Low62.7Low122 Ų122123.9 Ų123.974%0.73966%0.661SS**G310 helixtrans-55.9-30.8177.7-178.50000111.5N194 M195V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 3.33Å; V192-M195 PolarHBondContact O-N 3.21Å; V192-M195 VanDerWaalsContact O-N 3.17Å
193E63.7Low61.1Low171 Ų171125.4 Ų125.480%0.79967%0.673SS**G310 helixtrans-63.7-26.7174.3-62.3-179.5142.900113.8K191K191-E193 PolarHBondContact O-N 3.3Å; K191-E193 VanDerWaalsContact O-N 3.12Å
194N62Low60.1Low107 Ų107122 Ų12257%0.57266%0.663SS**G310 helixtrans-98.2-1.4177.5-66.3-7.2000112.4K191 V192K191-N194 WeakPolarHBondContact O-CA 3.47Å; K191-N194 PolarHBondContact O-N 2.98Å; V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 3.33Å
195M60.2Low58.7Low101 Ų101120.4 Ų120.450%0.49867%0.669SS.*  trans-93.596.7177.4-67.1-177.4-145.200109.3M190 K191 V192M190-M195 HydrophobicContact CB-CE 4.12Å; M190-M195 WeakPolarHBondContact O-CE 3.24Å; M190-M195 HydrophobicContact SD-CE 4.42Å; K191-M195 PolarHBondContact O-N 3.09Å; V192-M195 PolarHBondContact O-N 3.21Å; V192-M195 VanDerWaalsContact O-N 3.17Å
196S61.1Low57.7Low104 Ų104126.6 Ų126.673%0.72769%0.692SS**  trans-80.5132.8163.753.90000109.6
197S60.5Low56.9Low82 Ų82127.2 Ų127.257%0.57370%0.699SS**  trans-70.9128.8171.8-178.30000109.8Q199S197-Q199 PolarHBondContact O-N 3.04Å; S197-Q199 WeakPolarHBondContact OG-CB 3.36Å; S197-Q199 PolarHBondContact OG-N 3.36Å
198N64.1Low56.2Low155 Ų155135.2 Ų135.283%0.82973%0.731SS**THydrogen-bonded Turntrans-71.916.8173.4-73.710.7000113.2
199Q58.3Low56Low172 Ų172138.3 Ų138.380%0.80474%0.742SS**THydrogen-bonded Turntrans-94.5-5.7-175.9-140.1172.310.500113.5S197S197-Q199 PolarHBondContact O-N 3.04Å; S197-Q199 WeakPolarHBondContact OG-CB 3.36Å; S197-Q199 PolarHBondContact OG-N 3.36Å
200D53Low56Low155 Ų155139.7 Ų139.783%0.82975%0.75SS**SBendtrans-99.873.1170.3-77.2-39.9000111.2N202D200-N202 PolarHBondContact O-N 2.84Å
201G48.2Very low55.9Low77 Ų77139.7 Ų139.779%0.79475%0.754SS**SBendtrans46.338.8136.800000121.9
202N50.7Low55.3Low129 Ų129141.4 Ų141.469%0.6977%0.77SS**  trans-137.164.1164.7-160.963.9000112.6D200 S204D200-N202 PolarHBondContact O-N 2.84Å; N202-S204 PolarHBondContact ND2-OG 2.81Å; N202-S204 PolarHBondContact O-N 3.46Å
203D48.5Very low54.9Low164 Ų164142.6 Ų142.688%0.87777%0.771SS**  trans-71.871.5159.3-72.3-27.5000109.1D205D203-D205 VanDerWaalsContact C-N 3.31Å; D203-D205 PolarHBondContact O-N 2.96Å
204S54.2Low54.3Low86 Ų86140.7 Ų140.760%0.60177%0.77SS**  trans-91.677.5162.960.90000108.5N202 E206N202-S204 PolarHBondContact ND2-OG 2.81Å; N202-S204 PolarHBondContact O-N 3.46Å; S204-E206 VanDerWaalsContact C-N 3.32Å; S204-E206 PolarHBondContact O-N 3.36Å
205D47.7Very low53.8Low162 Ų162143.1 Ų143.187%0.86678%0.784SS**  trans-59.691.7159.9-115.3-11.6000108D203D203-D205 VanDerWaalsContact C-N 3.31Å; D203-D205 PolarHBondContact O-N 2.96Å
206E50.2Low53.3Low180 Ų180146.3 Ų146.384%0.84181%0.806SS**  trans-112.380.9163.6-163.6158.1-160.300108.4S204S204-E206 VanDerWaalsContact C-N 3.32Å; S204-E206 PolarHBondContact O-N 3.36Å
207F47.3Very low52.6Low195 Ų195149.8 Ų149.886%0.85581%0.812SS**  trans-76.7108.8168.1-172.4-92.6000108.8
208M48.9Very low51.9Low241 Ų241156 Ų156100%1.18783%0.834SS**  trans-137.30153.2-82-143.7-15700109.7

Retrieved 208 of 208 residues in 730.5 ms (Link to these results)

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