A0A096NXR6_PAPAN Loading...

Polycomb group RING finger protein 3

Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. Within the PRC1-like complex, regulates RNF2 ubiquitin ligase activity. Plays a redundant role with PCGF5 as part of a PRC1-like complex that mediates monoubiquitination of histone H2A 'Lys-119' on the X chromosome and is required for normal silencing of one copy of the X chromosome in XX females.

AlphaFold DB (Q3KNV8), UniProt , Accession A0A096NXR6, Species PAPAN (Papio anubis, Olive baboon), Gene PCGF3, Length 242 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
1M49.1Very low83.6Confident236 Ų236140 Ų140100%1.16366%0.659SS**  0126.90-72-173-179.100108.2T3M1-T3 PolarHBondContact O-N 3.22Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2L56.7Low84.6Confident178 Ų178132.1 Ų132.193%0.93262%0.624SS**  trans-67.5108.7171.8-82.9116.3000108.8R4L2-R4 PolarHBondContact O-N 3.29Å; L2-R4 VanDerWaalsContact O-N 3.11Å
3T76.7Confident85.4Confident122 Ų122127.6 Ų127.675%0.74862%0.623SS**  trans-71103.2172.752.90000108.6M1 K5M1-T3 PolarHBondContact O-N 3.22Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-K5 PolarHBondContact O-N 2.84Å
4R85.6Confident86.2Confident231 Ų231128.5 Ų128.587%0.87263%0.625SS**  trans-67.7120.3169.5-73.1-175.9173.8-178.8-1.8108.3L2L2-R4 PolarHBondContact O-N 3.29Å; L2-R4 VanDerWaalsContact O-N 3.11Å
5K88.7Confident86.9Confident201 Ų201120.1 Ų120.187%0.87458%0.584SS**  trans-82.9126.8169.5-66-176.1178.4-178.10108.2T3T3-K5 PolarHBondContact O-N 2.84Å
6I91Very high87.6Confident116 Ų116115.2 Ų115.260%0.59556%0.563SS**  trans-113.5136.2175.8-55.8170.3000107D10 I11I6-D10 HydrophobicContact CG2-CB 4.36Å; I6-I11 HydrophobicContact CB-CD1 4.2Å; I6-I11 HydrophobicContact CG2-CD1 3.64Å; I6-I11 HydrophobicContact CG2-CG1 3.77Å
7K93.9Very high88.2Confident119 Ų119108.5 Ų108.552%0.51753%0.531SS..  trans-77.3135.7176.6-70.4144.6147.9-1630108.7W9 D10K7-W9 HydrophobicContact CB-CD2 3.61Å; K7-W9 VanDerWaalsContact CB-CE2 3.46Å; K7-W9 HydrophobicContact CB-CE3 3.84Å; K7-W9 HydrophobicContact CB-CG 4.29Å; K7-W9 HydrophobicContact CB-CH2 3.96Å; K7-W9 HydrophobicContact CB-CZ2 3.73Å; K7-W9 HydrophobicContact CB-CZ3 3.98Å; K7-W9 HydrophobicContact CD-CH2 3.52Å; K7-W9 HydrophobicContact CD-CZ2 3.12Å; K7-W9 HydrophobicContact CD-CZ3 4.36Å; K7-W9 HydrophobicContact CG-CD2 4.37Å; K7-W9 HydrophobicContact CG-CE3 4.36Å; K7-W9 HydrophobicContact CG-CH2 3.61Å; K7-W9 HydrophobicContact CG-CZ2 3.6Å; K7-W9 HydrophobicContact CG-CZ3 3.97Å; K7-W9 VanDerWaalsContact NZ-CZ2 3.35Å; K7-W9 PolarHBondContact O-N 3.08Å; K7-D10 WeakPolarHBondContact CB-OD2 3.42Å; K7-D10 WeakPolarHBondContact O-CB 3.37Å; K7-D10 PolarHBondContact O-N 2.84Å
8L93.4Very high88.7Confident53 Ų53112.8 Ų112.828%0.27754%0.54SS..Hα-helixtrans-57.9-36.3-174.8-177.858.3000112.5D10 I11 N12 I15 Y23 V82L8-D10 PolarHBondContact O-N 3.06Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-N12 PolarHBondContact O-N 3.24Å; L8-N12 PolarHBondContact O-OD1 2.86Å; L8-N12 VanDerWaalsContact O-OD1 3.14Å; L8-I15 HydrophobicContact CD1-CD1 3.98Å; L8-Y23 VanDerWaalsContact CD2-OH 3.32Å; L8-Y23 WeakPolarHBondContact CD2-OH 3.48Å; L8-V82 HydrophobicContact CD1-CG2 4.18Å; L8-V82 HydrophobicContact CD2-CG1 4.28Å
9W94.6Very high89.2Confident155 Ų155110.3 Ų110.359%0.58753%0.53SS*.Hα-helixtrans-62.3-27.6178.366.671.6000113.6K7 I11 N12K7-W9 HydrophobicContact CB-CD2 3.61Å; K7-W9 VanDerWaalsContact CB-CE2 3.46Å; K7-W9 HydrophobicContact CB-CE3 3.84Å; K7-W9 HydrophobicContact CB-CG 4.29Å; K7-W9 HydrophobicContact CB-CH2 3.96Å; K7-W9 HydrophobicContact CB-CZ2 3.73Å; K7-W9 HydrophobicContact CB-CZ3 3.98Å; K7-W9 HydrophobicContact CD-CH2 3.52Å; K7-W9 HydrophobicContact CD-CZ2 3.12Å; K7-W9 HydrophobicContact CD-CZ3 4.36Å; K7-W9 HydrophobicContact CG-CD2 4.37Å; K7-W9 HydrophobicContact CG-CE3 4.36Å; K7-W9 HydrophobicContact CG-CH2 3.61Å; K7-W9 HydrophobicContact CG-CZ2 3.6Å; K7-W9 HydrophobicContact CG-CZ3 3.97Å; K7-W9 VanDerWaalsContact NZ-CZ2 3.35Å; K7-W9 PolarHBondContact O-N 3.08Å; W9-I11 PolarHBondContact O-N 2.69Å; W9-N12 PolarHBondContact O-N 2.88Å
10D94.8Very high89.6Confident94 Ų94108 Ų10850%0.50353%0.525SS..Hα-helixtrans-70-22.7177.6-62.5-35.7000110.8I6 K7 L8I6-D10 HydrophobicContact CG2-CB 4.36Å; K7-D10 WeakPolarHBondContact CB-OD2 3.42Å; K7-D10 WeakPolarHBondContact O-CB 3.37Å; K7-D10 PolarHBondContact O-N 2.84Å; L8-D10 PolarHBondContact O-N 3.06Å
11I94.8Very high89.9Confident35 Ų35107.8 Ų107.818%0.17953%0.534CS..Hα-helixtrans-99.4-21.7-178.4-52.8164.5000111.5I6 L8 W9 A13 H14 I15 L81I6-I11 HydrophobicContact CB-CD1 4.2Å; I6-I11 HydrophobicContact CG2-CD1 3.64Å; I6-I11 HydrophobicContact CG2-CG1 3.77Å; L8-I11 PolarHBondContact O-N 3.05Å; W9-I11 PolarHBondContact O-N 2.69Å; I11-A13 PolarHBondContact O-N 3.25Å; I11-H14 WeakPolarHBondContact O-CB 3.27Å; I11-H14 PolarHBondContact O-N 3.24Å; I11-I15 HydrophobicContact CG2-CD1 4.23Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 HydrophobicContact CG2-CG2 4.15Å; I11-L81 HydrophobicContact CG2-CD1 4.12Å
12N96.1Very high92.3Very high45 Ų4598 Ų9824%0.24149%0.494CS..Hα-helixtrans-47.6-38.6-175.2-81-6.1000113.1L8 W9 H14 I15 T16 Y23L8-N12 PolarHBondContact O-N 3.24Å; L8-N12 PolarHBondContact O-OD1 2.86Å; L8-N12 VanDerWaalsContact O-OD1 3.14Å; W9-N12 PolarHBondContact O-N 2.88Å; N12-H14 PolarHBondContact O-N 2.87Å; N12-I15 PolarHBondContact O-N 2.96Å; N12-I15 VanDerWaalsContact O-N 3.09Å; N12-T16 HydrophobicContact CB-CG2 4.1Å; N12-T16 WeakPolarHBondContact O-CB 3.33Å; N12-T16 VanDerWaalsContact O-CG2 3.28Å; N12-T16 WeakPolarHBondContact O-CG2 3.45Å; N12-T16 PolarHBondContact O-N 2.96Å; N12-T16 PolarHBondContact O-OG1 2.82Å; N12-Y23 VanDerWaalsContact OD1-CE1 3.25Å; N12-Y23 WeakPolarHBondContact OD1-CE1 3.43Å; N12-Y23 PolarHBondContact OD1-OH 3.36Å
13A94.7Very high94.2Very high74 Ų7492.5 Ų92.561%0.61246%0.461SS*.Hα-helixtrans-54-23.5177.400000114.7I11I11-A13 PolarHBondContact O-N 3.25Å
14H95.9Very high95.3Very high140 Ų14086.8 Ų86.865%0.64843%0.426SS*.Hα-helixtrans-103.8-13.3-177.4-56.3-68.5000114.3I11 N12I11-H14 WeakPolarHBondContact O-CB 3.27Å; I11-H14 PolarHBondContact O-N 3.24Å; N12-H14 PolarHBondContact O-N 2.87Å
15I97.2Very high95.9Very high3 Ų377.2 Ų77.22%0.01539%0.392CS..Hα-helixtrans-124.72.6-172.260.3170000113.7L8 I11 N12 Y23 L24 V78 L81 V82L8-I15 HydrophobicContact CD1-CD1 3.98Å; I11-I15 HydrophobicContact CG2-CD1 4.23Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 HydrophobicContact CG2-CG2 4.15Å; N12-I15 PolarHBondContact O-N 2.96Å; N12-I15 VanDerWaalsContact O-N 3.09Å; I15-Y23 HydrophobicContact CD1-CD1 3.94Å; I15-Y23 HydrophobicContact CD1-CE1 3.67Å; I15-Y23 HydrophobicContact CG1-CD1 4.03Å; I15-Y23 HydrophobicContact CG1-CE1 4Å; I15-L24 WeakPolarHBondContact O-CG 3.37Å; I15-L24 PolarHBondContact O-N 2.9Å; I15-V78 HydrophobicContact CB-CG2 3.94Å; I15-V78 HydrophobicContact CG2-CG2 3.99Å; I15-L81 HydrophobicContact CG2-CD1 4.35Å; I15-V82 HydrophobicContact CD1-CG2 3.65Å
16T98Very high96.2Very high41 Ų4171.1 Ų71.125%0.25237%0.369SS..BIsolated β-bridgetrans-103.1141.6176.560.40000112.1N12 G22 Y23N12-T16 HydrophobicContact CB-CG2 4.1Å; N12-T16 WeakPolarHBondContact O-CB 3.33Å; N12-T16 VanDerWaalsContact O-CG2 3.28Å; N12-T16 WeakPolarHBondContact O-CG2 3.45Å; N12-T16 PolarHBondContact O-N 2.96Å; N12-T16 PolarHBondContact O-OG1 2.82Å; T16-G22 CarbonylContact C-O 3.51Å; T16-G22 VanDerWaalsContact CA-O 3.24Å; T16-G22 WeakPolarHBondContact CA-O 3.4Å; T16-G22 WeakPolarHBondContact CB-O 3.39Å; T16-Y23 HydrophobicContact CG2-CD1 3.96Å; T16-Y23 HydrophobicContact CG2-CE1 4.04Å
17C98.5Very high96.6Very high1 Ų165.7 Ų65.71%0.00734%0.342CS..  trans-75.5129.6174.3-176.60000111.1L19 S21 G22 L24 C38C17-L19 VanDerWaalsContact C-N 3.25Å; C17-L19 PolarHBondContact O-N 2.8Å; C17-L19 PolarHBondContact SG-N 2.97Å; C17-L19 VanDerWaalsContact SG-N 3.45Å; C17-S21 VanDerWaalsContact O-CA 3.23Å; C17-S21 WeakPolarHBondContact O-CA 3.46Å; C17-S21 PolarHBondContact O-N 2.81Å; C17-G22 PolarHBondContact N-O 3.1Å; C17-L24 HydrophobicContact CB-CD2 3.88Å; C17-C38 WeakPolarHBondContact CB-SG 3.36Å; C17-C38 PolarHBondContact SG-N 2.89Å; C17-C38 VanDerWaalsContact SG-N 3.35Å
18R96.3Very high96.8Very high186 Ų18660.2 Ų60.270%0.70232%0.318SS*.THydrogen-bonded Turntrans-68.2-18.1176.4-74.9-68.6-170.6178.91.1115F37R18-F37 HydrophobicContact CB-CD1 4.48Å; R18-F37 HydrophobicContact CB-CE1 4.07Å
19L98Very high97Very high65 Ų6558.4 Ų58.434%0.3431%0.309SS..THydrogen-bonded Turntrans-86.7-42.5-178-72.2171.5000112.8C17 F37 C41 Y45 P53C17-L19 VanDerWaalsContact C-N 3.25Å; C17-L19 PolarHBondContact O-N 2.8Å; C17-L19 PolarHBondContact SG-N 2.97Å; C17-L19 VanDerWaalsContact SG-N 3.45Å; L19-F37 HydrophobicContact CD1-CB 4.48Å; L19-F37 HydrophobicContact CD1-CD1 3.9Å; L19-F37 HydrophobicContact CD1-CG 4.34Å; L19-F37 HydrophobicContact CG-CD1 3.9Å; L19-F37 HydrophobicContact CG-CE1 4.28Å; L19-C41 HydrophobicContact CB-CB 3.82Å; L19-C41 HydrophobicContact CD1-CB 3.71Å; L19-C41 WeakPolarHBondContact CD1-O 3.45Å; L19-C41 HydrophobicContact CG-CB 4.43Å; L19-Y45 HydrophobicContact CD2-CD2 4.15Å; L19-Y45 HydrophobicContact CD2-CG 4.47Å; L19-P53 HydrophobicContact CD1-CG 4.04Å; L19-P53 HydrophobicContact CD2-CB 3.82Å; L19-P53 HydrophobicContact CD2-CG 4Å; L19-P53 HydrophobicContact CG-CB 4.25Å; L19-P53 HydrophobicContact CG-CG 4.22Å
20C97.9Very high97.1Very high65 Ų6551 Ų5144%0.43928%0.281SS..THydrogen-bonded Turntrans-106.1-6.9-179.768.50000114.3G22C20-G22 PolarHBondContact O-N 2.93Å; C20-G22 PolarHBondContact SG-N 3.35Å
21S96.8Very high97Very high103 Ų10349.1 Ų49.172%0.7227%0.273SS*.SBendtrans59.211-175.3-55.80000115.2C17C17-S21 VanDerWaalsContact O-CA 3.23Å; C17-S21 WeakPolarHBondContact O-CA 3.46Å; C17-S21 PolarHBondContact O-N 2.81Å
22G97.6Very high96.9Very high30 Ų3053 Ų5331%0.30929%0.29SS..SBendtrans-95.4177.7171.400000112.5T16 C17 C20T16-G22 CarbonylContact C-O 3.51Å; T16-G22 VanDerWaalsContact CA-O 3.24Å; T16-G22 WeakPolarHBondContact CA-O 3.4Å; T16-G22 WeakPolarHBondContact CB-O 3.39Å; C17-G22 PolarHBondContact N-O 3.1Å; C20-G22 PolarHBondContact O-N 2.93Å; C20-G22 PolarHBondContact SG-N 3.35Å
23Y98.2Very high96.9Very high63 Ų6352.2 Ų52.225%0.24729%0.288CS..BIsolated β-bridgetrans-62.6151.1170.3-66.9-62.6000111.7L8 N12 I15 T16 I25 V82 L85L8-Y23 VanDerWaalsContact CD2-OH 3.32Å; L8-Y23 WeakPolarHBondContact CD2-OH 3.48Å; N12-Y23 VanDerWaalsContact OD1-CE1 3.25Å; N12-Y23 WeakPolarHBondContact OD1-CE1 3.43Å; N12-Y23 PolarHBondContact OD1-OH 3.36Å; I15-Y23 HydrophobicContact CD1-CD1 3.94Å; I15-Y23 HydrophobicContact CD1-CE1 3.67Å; I15-Y23 HydrophobicContact CG1-CD1 4.03Å; I15-Y23 HydrophobicContact CG1-CE1 4Å; T16-Y23 HydrophobicContact CG2-CD1 3.96Å; T16-Y23 HydrophobicContact CG2-CE1 4.04Å; Y23-I25 PolarHBondContact O-N 3.01Å; Y23-V82 HydrophobicContact CD1-CG2 3.81Å; Y23-V82 HydrophobicContact CD2-CG1 3.98Å; Y23-V82 HydrophobicContact CD2-CG2 4.47Å; Y23-V82 HydrophobicContact CE1-CG1 4.49Å; Y23-V82 HydrophobicContact CE1-CG2 3.79Å; Y23-V82 HydrophobicContact CE2-CG1 3.74Å; Y23-V82 HydrophobicContact CE2-CG2 4.45Å; Y23-V82 HydrophobicContact CG-CG1 4.46Å; Y23-V82 HydrophobicContact CG-CG2 4.17Å; Y23-L85 HydrophobicContact CD2-CD1 4.07Å; Y23-L85 HydrophobicContact CD2-CD2 4.34Å; Y23-L85 HydrophobicContact CG-CD1 4.46Å; Y23-L85 HydrophobicContact CG-CD2 4.06Å
24L98.5Very high97Very high2 Ų254.9 Ų54.91%0.0129%0.292CS..  trans-62.8120.5176.4-68.1166.9000110.7I15 C17 A27 T36 Q75 V78I15-L24 WeakPolarHBondContact O-CG 3.37Å; I15-L24 PolarHBondContact O-N 2.9Å; C17-L24 HydrophobicContact CB-CD2 3.88Å; L24-A27 HydrophobicContact CB-CB 4.29Å; L24-T36 HydrophobicContact CD1-CG2 3.91Å; L24-T36 HydrophobicContact CD2-CG2 4.13Å; L24-Q75 PolarHBondContact O-NE2 3.08Å; L24-Q75 VanDerWaalsContact O-NE2 3.08Å; L24-Q75 PolarHBondContact O-OE1 3.48Å; L24-V78 HydrophobicContact CB-CG1 4.44Å; L24-V78 HydrophobicContact CB-CG2 3.98Å; L24-V78 HydrophobicContact CD1-CG2 4.03Å
25I98.1Very high97.1Very high31 Ų3151.1 Ų51.116%0.15927%0.274CS..SBendtrans-118127.8170.1-56.9-58.9000107.5Y23 C38 R39 Y79 L85 E89Y23-I25 PolarHBondContact O-N 3.01Å; I25-C38 PolarHBondContact N-SG 3.39Å; I25-C38 WeakPolarHBondContact O-CA 3.32Å; I25-C38 VanDerWaalsContact O-CB 3.22Å; I25-C38 WeakPolarHBondContact O-CB 3.43Å; I25-R39 PolarHBondContact O-N 2.87Å; I25-Y79 HydrophobicContact CD1-CE1 4.19Å; I25-L85 HydrophobicContact CD1-CD1 4.23Å; I25-L85 HydrophobicContact CD1-CD2 4.49Å; I25-L85 HydrophobicContact CD1-CG 4.34Å; I25-E89 HydrophobicContact CD1-CB 4.31Å; I25-E89 HydrophobicContact CD1-CG 4.1Å; I25-E89 HydrophobicContact CG2-CG 3.92Å
26D96.7Very high97.2Very high73 Ų7352.3 Ų52.339%0.3928%0.282SS..SBendtrans47.861-167-63.8-28.7000111.9T28 R39D26-T28 PolarHBondContact O-N 2.98Å; D26-T28 VanDerWaalsContact O-N 3.14Å; D26-T28 PolarHBondContact O-OG1 3.48Å; D26-R39 HydrophobicContact CB-CB 3.58Å; D26-R39 VanDerWaalsContact O-CB 3.29Å; D26-R39 WeakPolarHBondContact O-CB 3.49Å; D26-R39 PolarHBondContact O-N 2.75Å
27A97.9Very high97.2Very high2 Ų250.4 Ų50.42%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-46.6122.3-17900000110.5L24 T36 D71 M74 Q75L24-A27 HydrophobicContact CB-CB 4.29Å; A27-T36 HydrophobicContact CB-CG2 3.82Å; A27-D71 HydrophobicContact CB-CB 4.3Å; A27-D71 PolarHBondContact O-N 3.06Å; A27-M74 HydrophobicContact CB-CB 4.15Å; A27-Q75 HydrophobicContact CB-CB 3.99Å
28T98Very high97.2Very high4 Ų450.5 Ų50.53%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-130.2122-177.1-59.40000108.2D26 T36 F37 R39 L42 I68 G69D26-T28 PolarHBondContact O-N 2.98Å; D26-T28 VanDerWaalsContact O-N 3.14Å; D26-T28 PolarHBondContact O-OG1 3.48Å; T28-T36 WeakPolarHBondContact O-CA 3.3Å; T28-F37 PolarHBondContact N-O 2.89Å; T28-F37 PolarHBondContact O-N 2.92Å; T28-R39 VanDerWaalsContact OG1-CA 3.3Å; T28-R39 WeakPolarHBondContact OG1-CA 3.49Å; T28-R39 VanDerWaalsContact OG1-CB 3.29Å; T28-R39 WeakPolarHBondContact OG1-CB 3.17Å; T28-L42 HydrophobicContact CG2-CD2 3.93Å; T28-I68 HydrophobicContact CG2-CB 3.95Å; T28-I68 HydrophobicContact CG2-CD1 4Å; T28-I68 HydrophobicContact CG2-CG1 4.13Å; T28-G69 CarbonylContact C-O 3.47Å; T28-G69 WeakPolarHBondContact CA-O 3.25Å
29T97.7Very high97.3Very high14 Ų1447.2 Ų47.29%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-107.9135.7-172.4-64.50000110.2L34 H35 T36 I68 G69 D71T29-L34 HydrophobicContact CG2-CB 4.32Å; T29-L34 HydrophobicContact CG2-CD2 4.22Å; T29-H35 WeakPolarHBondContact CA-O 3.3Å; T29-T36 WeakPolarHBondContact OG1-CG2 3.08Å; T29-T36 PolarHBondContact OG1-OG1 3.4Å; T29-I68 WeakPolarHBondContact O-CA 3.45Å; T29-G69 PolarHBondContact N-O 2.75Å; T29-G69 PolarHBondContact O-N 3.49Å; T29-D71 VanDerWaalsContact OG1-CB 3.31Å; T29-D71 WeakPolarHBondContact OG1-CB 2.91Å; T29-D71 PolarHBondContact OG1-OD2 3.13Å
30V97.1Very high97.2Very high0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-73.6127.9171.5178.60000109.1E32 L34 H35 F37 L42 I59 I68V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 PolarHBondContact O-N 2.74Å; V30-L34 VanDerWaalsContact O-CA 3.29Å; V30-L34 WeakPolarHBondContact O-CA 3.16Å; V30-L34 PolarHBondContact O-N 2.82Å; V30-H35 PolarHBondContact N-O 3.36Å; V30-F37 HydrophobicContact CG2-CD2 4.45Å; V30-F37 HydrophobicContact CG2-CE2 4.09Å; V30-L42 HydrophobicContact CG2-CD1 4.44Å; V30-L42 HydrophobicContact CG2-CD2 4.04Å; V30-I59 HydrophobicContact CG1-CB 4.47Å; V30-I59 HydrophobicContact CG1-CD1 3.83Å; V30-I59 HydrophobicContact CG1-CG1 3.72Å; V30-I59 HydrophobicContact CG1-CG2 4.15Å; V30-I59 HydrophobicContact CG2-CD1 3.86Å; V30-I68 HydrophobicContact CG2-CG2 4.21Å
31T93.6Very high97.3Very high55 Ų5546.3 Ų46.334%0.33726%0.258SS..THydrogen-bonded Turntrans-64.3-38.1-173.256.30000113.4Y67T31-Y67 PolarHBondContact N-O 3.35Å; T31-Y67 PolarHBondContact OG1-O 2.89Å; T31-Y67 VanDerWaalsContact OG1-O 3.12Å
32E92.7Very high97.3Very high115 Ų11541.4 Ų41.454%0.53722%0.224SC..THydrogen-bonded Turntrans-75.6-36.1-172.3-59.9-50.9115.200113.8V30 I57V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 PolarHBondContact O-N 2.74Å; E32-I57 HydrophobicContact CB-CD1 3.74Å
33C96.5Very high97.3Very high30 Ų3042 Ų4220%0.20322%0.221CC..THydrogen-bonded Turntrans-119.4-1.7-17661.80000115.1H35 C55 I57C33-H35 PolarHBondContact O-N 2.85Å; C33-H35 VanDerWaalsContact O-N 3.1Å; C33-H35 PolarHBondContact SG-ND1 3.22Å; C33-C55 VanDerWaalsContact SG-SG 3.63Å; C33-I57 HydrophobicContact CB-CD1 3.57Å; C33-I57 HydrophobicContact CB-CG1 4.21Å
34L96.8Very high97.3Very high130 Ų13046.2 Ų46.268%0.68124%0.241SC*.  trans55.926.6179.8-52.8-179.7000114.8T29 V30T29-L34 HydrophobicContact CG2-CB 4.32Å; T29-L34 HydrophobicContact CG2-CD2 4.22Å; V30-L34 VanDerWaalsContact O-CA 3.29Å; V30-L34 WeakPolarHBondContact O-CA 3.16Å; V30-L34 PolarHBondContact O-N 2.82Å
35H98.1Very high97.3Very high60 Ų6048 Ų4828%0.27825%0.247SC..  trans-83.2133.9170.5-71.6115.8000109.7T29 V30 C33 F37 T54 C55T29-H35 WeakPolarHBondContact CA-O 3.3Å; V30-H35 PolarHBondContact N-O 3.36Å; C33-H35 PolarHBondContact O-N 2.85Å; C33-H35 VanDerWaalsContact O-N 3.1Å; C33-H35 PolarHBondContact SG-ND1 3.22Å; H35-F37 HydrophobicContact CB-CE2 3.76Å; H35-F37 HydrophobicContact CB-CZ 4.02Å; H35-T54 WeakPolarHBondContact NE2-CG2 3.34Å; H35-C55 VanDerWaalsContact CE1-SG 3.53Å; H35-C55 PolarHBondContact ND1-SG 3.43Å
36T98.2Very high97.2Very high29 Ų2946.9 Ų46.918%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-110140-173.5-47.30000111.7L24 A27 T28 T29L24-T36 HydrophobicContact CD1-CG2 3.91Å; L24-T36 HydrophobicContact CD2-CG2 4.13Å; A27-T36 HydrophobicContact CB-CG2 3.82Å; T28-T36 WeakPolarHBondContact O-CA 3.3Å; T29-T36 WeakPolarHBondContact OG1-CG2 3.08Å; T29-T36 PolarHBondContact OG1-OG1 3.4Å
37F98.6Very high97.1Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-141.3169-178.9-55.1-89000110.2R18 L19 T28 V30 H35 L42 P53 T54R18-F37 HydrophobicContact CB-CD1 4.48Å; R18-F37 HydrophobicContact CB-CE1 4.07Å; L19-F37 HydrophobicContact CD1-CB 4.48Å; L19-F37 HydrophobicContact CD1-CD1 3.9Å; L19-F37 HydrophobicContact CD1-CG 4.34Å; L19-F37 HydrophobicContact CG-CD1 3.9Å; L19-F37 HydrophobicContact CG-CE1 4.28Å; T28-F37 PolarHBondContact N-O 2.89Å; T28-F37 PolarHBondContact O-N 2.92Å; V30-F37 HydrophobicContact CG2-CD2 4.45Å; V30-F37 HydrophobicContact CG2-CE2 4.09Å; H35-F37 HydrophobicContact CB-CE2 3.76Å; H35-F37 HydrophobicContact CB-CZ 4.02Å; F37-L42 HydrophobicContact CB-CB 3.93Å; F37-L42 HydrophobicContact CB-CD2 4.45Å; F37-L42 HydrophobicContact CD2-CD1 3.86Å; F37-L42 HydrophobicContact CD2-CD2 3.94Å; F37-L42 HydrophobicContact CD2-CG 4.34Å; F37-L42 HydrophobicContact CE2-CD1 4.24Å; F37-L42 HydrophobicContact CG-CB 4.46Å; F37-L42 HydrophobicContact CG-CD1 4.31Å; F37-P53 HydrophobicContact CD1-CG 4.4Å; F37-P53 HydrophobicContact CE1-CB 3.69Å; F37-P53 HydrophobicContact CE1-CG 3.77Å; F37-P53 HydrophobicContact CE2-CG 4.25Å; F37-P53 HydrophobicContact CZ-CB 3.79Å; F37-P53 HydrophobicContact CZ-CG 3.68Å; F37-T54 VanDerWaalsContact CZ-OG1 3.23Å; F37-T54 WeakPolarHBondContact CZ-OG1 3.33Å
38C98.6Very high97Very high4 Ų458.3 Ų58.33%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-66.5143.5166.5-54.70000109.8C17 I25 S40 C41 L42C17-C38 WeakPolarHBondContact CB-SG 3.36Å; C17-C38 PolarHBondContact SG-N 2.89Å; C17-C38 VanDerWaalsContact SG-N 3.35Å; I25-C38 PolarHBondContact N-SG 3.39Å; I25-C38 WeakPolarHBondContact O-CA 3.32Å; I25-C38 VanDerWaalsContact O-CB 3.22Å; I25-C38 WeakPolarHBondContact O-CB 3.43Å; C38-S40 PolarHBondContact O-N 3.26Å; C38-C41 HydrophobicContact CB-CB 4.06Å; C38-C41 PolarHBondContact O-N 3.21Å; C38-C41 VanDerWaalsContact O-N 3.14Å; C38-L42 PolarHBondContact O-N 3.07Å
39R97.5Very high96.9Very high116 Ų11660.8 Ų60.844%0.43831%0.306SS..Hα-helixtrans-53.4-52.3179.2-175.8174.7179.3-87.4-6.4112.5I25 D26 T28 C41 L42 V43 H70I25-R39 PolarHBondContact O-N 2.87Å; D26-R39 HydrophobicContact CB-CB 3.58Å; D26-R39 VanDerWaalsContact O-CB 3.29Å; D26-R39 WeakPolarHBondContact O-CB 3.49Å; D26-R39 PolarHBondContact O-N 2.75Å; T28-R39 VanDerWaalsContact OG1-CA 3.3Å; T28-R39 WeakPolarHBondContact OG1-CA 3.49Å; T28-R39 VanDerWaalsContact OG1-CB 3.29Å; T28-R39 WeakPolarHBondContact OG1-CB 3.17Å; R39-C41 VanDerWaalsContact C-N 3.26Å; R39-C41 PolarHBondContact O-N 2.83Å; R39-L42 PolarHBondContact O-N 2.85Å; R39-V43 HydrophobicContact CG-CG2 4.19Å; R39-V43 WeakPolarHBondContact O-CB 3.49Å; R39-V43 VanDerWaalsContact O-CG2 3.23Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.44Å; R39-H70 WeakPolarHBondContact CD-NE2 3.18Å; R39-H70 PolarHBondContact NE-NE2 3.25Å
40S97.3Very high96.8Very high85 Ų8563.1 Ų63.159%0.59432%0.318SS*.Hα-helixtrans-59.6-37.9-179.156.30000112.3C38 K44C38-S40 PolarHBondContact O-N 3.26Å; S40-K44 VanDerWaalsContact O-CB 3.25Å; S40-K44 WeakPolarHBondContact O-CB 3.22Å; S40-K44 PolarHBondContact O-N 2.51Å
41C98.5Very high96.8Very high27 Ų2764.4 Ų64.418%0.18233%0.326CS..Hα-helixtrans-70.2-49.1-179.6-64.60000111.5L19 C38 R39 Y45L19-C41 HydrophobicContact CB-CB 3.82Å; L19-C41 HydrophobicContact CD1-CB 3.71Å; L19-C41 WeakPolarHBondContact CD1-O 3.45Å; L19-C41 HydrophobicContact CG-CB 4.43Å; C38-C41 HydrophobicContact CB-CB 4.06Å; C38-C41 PolarHBondContact O-N 3.21Å; C38-C41 VanDerWaalsContact O-N 3.14Å; R39-C41 VanDerWaalsContact C-N 3.26Å; R39-C41 PolarHBondContact O-N 2.83Å; C41-Y45 WeakPolarHBondContact O-CB 3.5Å; C41-Y45 PolarHBondContact O-N 3.31Å
42L97.8Very high97Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-69.1-43-177.6-174.559.1000111.8T28 V30 F37 C38 R39 K44 Y45 L46 P53 I68T28-L42 HydrophobicContact CG2-CD2 3.93Å; V30-L42 HydrophobicContact CG2-CD1 4.44Å; V30-L42 HydrophobicContact CG2-CD2 4.04Å; F37-L42 HydrophobicContact CB-CB 3.93Å; F37-L42 HydrophobicContact CB-CD2 4.45Å; F37-L42 HydrophobicContact CD2-CD1 3.86Å; F37-L42 HydrophobicContact CD2-CD2 3.94Å; F37-L42 HydrophobicContact CD2-CG 4.34Å; F37-L42 HydrophobicContact CE2-CD1 4.24Å; F37-L42 HydrophobicContact CG-CB 4.46Å; F37-L42 HydrophobicContact CG-CD1 4.31Å; C38-L42 PolarHBondContact O-N 3.07Å; R39-L42 PolarHBondContact O-N 2.85Å; L42-K44 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 3.42Å; L42-Y45 PolarHBondContact O-N 2.8Å; L42-L46 HydrophobicContact CD1-CD1 4.03Å; L42-L46 HydrophobicContact CD1-CG 4.12Å; L42-L46 HydrophobicContact CG-CD1 3.93Å; L42-L46 HydrophobicContact CG-CG 4.38Å; L42-L46 VanDerWaalsContact O-CG 3.27Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.55Å; L42-P53 HydrophobicContact CD1-CG 4.19Å; L42-I68 HydrophobicContact CD2-CB 4.09Å; L42-I68 HydrophobicContact CD2-CD1 4.2Å; L42-I68 HydrophobicContact CD2-CG2 3.68Å; L42-I68 HydrophobicContact CG-CD1 4.4Å; L42-I68 HydrophobicContact CG-CG2 4.36Å
43V97.2Very high97.3Very high42 Ų4257.2 Ų57.226%0.25529%0.29SS..Hα-helixtrans-59.1-48177.6171.50000110.4R39 Y45 L46 E47 L65 I68R39-V43 HydrophobicContact CG-CG2 4.19Å; R39-V43 WeakPolarHBondContact O-CB 3.49Å; R39-V43 VanDerWaalsContact O-CG2 3.23Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.44Å; V43-Y45 VanDerWaalsContact C-N 3.34Å; V43-Y45 PolarHBondContact O-N 3.3Å; V43-L46 PolarHBondContact O-N 2.96Å; V43-E47 PolarHBondContact O-N 3.09Å; V43-L65 HydrophobicContact CB-CD2 4.46Å; V43-L65 HydrophobicContact CG1-CD2 4.24Å; V43-L65 HydrophobicContact CG2-CD2 4.29Å; V43-I68 HydrophobicContact CG2-CD1 4.19Å
44K97.5Very high97.3Very high152 Ų15258.7 Ų58.766%0.66130%0.298SS*.Hα-helixtrans-59.5-43.1176.3-175.4179.2-179.6-179.70112.3S40 L42 L46 E47S40-K44 VanDerWaalsContact O-CB 3.25Å; S40-K44 WeakPolarHBondContact O-CB 3.22Å; S40-K44 PolarHBondContact O-N 2.51Å; L42-K44 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 3.42Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.13Å; K44-E47 WeakPolarHBondContact O-CB 3.27Å; K44-E47 PolarHBondContact O-N 3.06Å
45Y98Very high97.4Very high38 Ų3854.9 Ų54.915%0.14928%0.282CS..Hα-helixtrans-61.5-38.7178.2178.2-94.1000112.4L19 C41 L42 V43 E47 E48 N49 T51 P53 R56L19-Y45 HydrophobicContact CD2-CD2 4.15Å; L19-Y45 HydrophobicContact CD2-CG 4.47Å; C41-Y45 WeakPolarHBondContact O-CB 3.5Å; C41-Y45 PolarHBondContact O-N 3.31Å; L42-Y45 PolarHBondContact O-N 2.8Å; V43-Y45 VanDerWaalsContact C-N 3.34Å; V43-Y45 PolarHBondContact O-N 3.3Å; Y45-E47 VanDerWaalsContact C-N 3.25Å; Y45-E47 PolarHBondContact O-N 3.1Å; Y45-E48 PolarHBondContact O-N 3.37Å; Y45-N49 HydrophobicContact CD1-CB 3.95Å; Y45-N49 HydrophobicContact CE1-CB 3.36Å; Y45-N49 HydrophobicContact CE2-CB 4.16Å; Y45-N49 VanDerWaalsContact CZ-CB 3.48Å; Y45-N49 VanDerWaalsContact CZ-CG 3.46Å; Y45-N49 WeakPolarHBondContact O-CB 3.46Å; Y45-N49 PolarHBondContact O-N 2.9Å; Y45-N49 PolarHBondContact O-ND2 3.44Å; Y45-N49 PolarHBondContact OH-OD1 3.35Å; Y45-T51 VanDerWaalsContact CE1-O 3.26Å; Y45-T51 WeakPolarHBondContact CE1-O 3.34Å; Y45-T51 PolarHBondContact OH-OG1 2.9Å; Y45-P53 HydrophobicContact CD1-CG 3.63Å; Y45-P53 HydrophobicContact CD2-CG 4.39Å; Y45-P53 HydrophobicContact CE1-CB 4.47Å; Y45-P53 HydrophobicContact CE1-CG 3.7Å; Y45-P53 HydrophobicContact CE2-CG 4.47Å; Y45-P53 HydrophobicContact CG-CG 3.99Å; Y45-R56 PolarHBondContact OH-NH1 2.93Å
46L96.7Very high97.3Very high9 Ų959.5 Ų59.55%0.04730%0.297CS..THydrogen-bonded Turntrans-79.4-0.7-177.6-63.5176.8000114.6L42 V43 K44 E48 N49 I59 P64 L65 I68L42-L46 HydrophobicContact CD1-CD1 4.03Å; L42-L46 HydrophobicContact CD1-CG 4.12Å; L42-L46 HydrophobicContact CG-CD1 3.93Å; L42-L46 HydrophobicContact CG-CG 4.38Å; L42-L46 VanDerWaalsContact O-CG 3.27Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.55Å; V43-L46 PolarHBondContact O-N 2.96Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.13Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-N49 VanDerWaalsContact CA-O 3.29Å; L46-N49 WeakPolarHBondContact CA-O 3.22Å; L46-N49 WeakPolarHBondContact CD2-O 3.48Å; L46-I59 HydrophobicContact CD1-CD1 4.3Å; L46-I59 HydrophobicContact CD2-CD1 3.72Å; L46-P64 HydrophobicContact CB-CB 4.49Å; L46-P64 HydrophobicContact CB-CG 4.31Å; L46-P64 HydrophobicContact CD1-CB 4.23Å; L46-P64 HydrophobicContact CD2-CB 4.03Å; L46-P64 HydrophobicContact CG-CB 4.46Å; L46-L65 HydrophobicContact CB-CD2 3.93Å; L46-L65 HydrophobicContact CD1-CD2 4.12Å; L46-I68 HydrophobicContact CD1-CD1 4.11Å; L46-I68 HydrophobicContact CD1-CG2 3.78Å
47E95.2Very high97.2Very high140 Ų14061.4 Ų61.465%0.65431%0.305SS*.THydrogen-bonded Turntrans-67.5-34.1168.6-68173.9170.100111.3V43 K44 Y45V43-E47 PolarHBondContact O-N 3.09Å; K44-E47 WeakPolarHBondContact O-CB 3.27Å; K44-E47 PolarHBondContact O-N 3.06Å; Y45-E47 VanDerWaalsContact C-N 3.25Å; Y45-E47 PolarHBondContact O-N 3.1Å
48E95Very high97.1Very high174 Ų17465.4 Ų65.481%0.81333%0.329SS*.THydrogen-bonded Turntrans-115.1-11.7-176-63.5177.9176.300113.3Y45 L46Y45-E48 PolarHBondContact O-N 3.37Å; L46-E48 VanDerWaalsContact C-N 3.3Å
49N96.5Very high96.9Very high57 Ų5765.4 Ų65.431%0.30533%0.329SS..  trans-131.7151.8-172.7-60.1-95.3000111.4Y45 L46Y45-N49 HydrophobicContact CD1-CB 3.95Å; Y45-N49 HydrophobicContact CE1-CB 3.36Å; Y45-N49 HydrophobicContact CE2-CB 4.16Å; Y45-N49 VanDerWaalsContact CZ-CB 3.48Å; Y45-N49 VanDerWaalsContact CZ-CG 3.46Å; Y45-N49 WeakPolarHBondContact O-CB 3.46Å; Y45-N49 PolarHBondContact O-N 2.9Å; Y45-N49 PolarHBondContact O-ND2 3.44Å; Y45-N49 PolarHBondContact OH-OD1 3.35Å; L46-N49 VanDerWaalsContact CA-O 3.29Å; L46-N49 WeakPolarHBondContact CA-O 3.22Å; L46-N49 WeakPolarHBondContact CD2-O 3.48Å
50N95.6Very high96.7Very high62 Ų6262.2 Ų62.233%0.33232%0.319SS..  trans-12116175.469-5.8000113.2I59 H60 Q61 P64N50-I59 PolarHBondContact O-N 3.43Å; N50-H60 WeakPolarHBondContact CB-O 3.26Å; N50-Q61 PolarHBondContact ND2-O 2.87Å; N50-P64 HydrophobicContact CB-CB 4.49Å; N50-P64 HydrophobicContact CB-CG 4.35Å
51T97.7Very high96.4Very high27 Ų2766.1 Ų66.117%0.16633%0.328CS..BIsolated β-bridgetrans-112163.7-179.9600000112Y45 I57 V58Y45-T51 VanDerWaalsContact CE1-O 3.26Å; Y45-T51 WeakPolarHBondContact CE1-O 3.34Å; Y45-T51 PolarHBondContact OH-OG1 2.9Å; T51-I57 CarbonylContact C-O 3.5Å; T51-I57 WeakPolarHBondContact CA-O 3.32Å; T51-I57 WeakPolarHBondContact CB-O 3.26Å; T51-V58 HydrophobicContact CG2-CG2 4.21Å
52C98Very high96Very high0 Ų068.6 Ų68.60%035%0.346CS..  trans-75.2130.5172.2176.10000110.6T54 C55 R56 I57 I59C52-T54 PolarHBondContact O-N 2.77Å; C52-T54 VanDerWaalsContact O-N 3.12Å; C52-T54 PolarHBondContact SG-N 3.41Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C52-R56 WeakPolarHBondContact O-CA 3.19Å; C52-R56 PolarHBondContact O-N 2.79Å; C52-I57 HydrophobicContact CB-CG1 4.21Å; C52-I57 PolarHBondContact N-O 2.94Å; C52-I59 HydrophobicContact CB-CG1 4.4Å
53P97.7Very high95.5Very high20 Ų2073.3 Ų73.313%0.1337%0.367CS..THydrogen-bonded Turntrans-57.3-29177.4-22.928.3000114.5L19 F37 L42 Y45L19-P53 HydrophobicContact CD1-CG 4.04Å; L19-P53 HydrophobicContact CD2-CB 3.82Å; L19-P53 HydrophobicContact CD2-CG 4Å; L19-P53 HydrophobicContact CG-CB 4.25Å; L19-P53 HydrophobicContact CG-CG 4.22Å; F37-P53 HydrophobicContact CD1-CG 4.4Å; F37-P53 HydrophobicContact CE1-CB 3.69Å; F37-P53 HydrophobicContact CE1-CG 3.77Å; F37-P53 HydrophobicContact CE2-CG 4.25Å; F37-P53 HydrophobicContact CZ-CB 3.79Å; F37-P53 HydrophobicContact CZ-CG 3.68Å; L42-P53 HydrophobicContact CD1-CG 4.19Å; Y45-P53 HydrophobicContact CD1-CG 3.63Å; Y45-P53 HydrophobicContact CD2-CG 4.39Å; Y45-P53 HydrophobicContact CE1-CB 4.47Å; Y45-P53 HydrophobicContact CE1-CG 3.7Å; Y45-P53 HydrophobicContact CE2-CG 4.47Å; Y45-P53 HydrophobicContact CG-CG 3.99Å
54T97.1Very high95.3Very high60 Ų6071.9 Ų71.937%0.36836%0.359SS..THydrogen-bonded Turntrans-87.4-57.3-176.3-55.80000112.3H35 F37 C52H35-T54 WeakPolarHBondContact NE2-CG2 3.34Å; F37-T54 VanDerWaalsContact CZ-OG1 3.23Å; F37-T54 WeakPolarHBondContact CZ-OG1 3.33Å; C52-T54 PolarHBondContact O-N 2.77Å; C52-T54 VanDerWaalsContact O-N 3.12Å; C52-T54 PolarHBondContact SG-N 3.41Å
55C97.5Very high95Very high50 Ų5068.7 Ų68.734%0.33835%0.349SS..THydrogen-bonded Turntrans-105.5-1.7-173.160.60000114.8C33 H35 C52 I57C33-C55 VanDerWaalsContact SG-SG 3.63Å; H35-C55 VanDerWaalsContact CE1-SG 3.53Å; H35-C55 PolarHBondContact ND1-SG 3.43Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C55-I57 HydrophobicContact CB-CG2 4.49Å; C55-I57 PolarHBondContact O-N 2.67Å
56R96.7Very high94.6Very high158 Ų15871 Ų7160%0.59636%0.361SS*.  trans618.9175.8-53.1-62.3-179.7154.43.6116.3Y45 C52Y45-R56 PolarHBondContact OH-NH1 2.93Å; C52-R56 WeakPolarHBondContact O-CA 3.19Å; C52-R56 PolarHBondContact O-N 2.79Å
57I95.8Very high94.4Very high68 Ų6874.2 Ų74.235%0.34937%0.373SS..  trans-62147.8169.773.7164.1000109.9E32 C33 T51 C52 C55 I59E32-I57 HydrophobicContact CB-CD1 3.74Å; C33-I57 HydrophobicContact CB-CD1 3.57Å; C33-I57 HydrophobicContact CB-CG1 4.21Å; T51-I57 CarbonylContact C-O 3.5Å; T51-I57 WeakPolarHBondContact CA-O 3.32Å; T51-I57 WeakPolarHBondContact CB-O 3.26Å; C52-I57 HydrophobicContact CB-CG1 4.21Å; C52-I57 PolarHBondContact N-O 2.94Å; C55-I57 HydrophobicContact CB-CG2 4.49Å; C55-I57 PolarHBondContact O-N 2.67Å; I57-I59 PolarHBondContact O-N 3.49Å
58V96.5Very high94.3Very high84 Ų8468.2 Ų68.251%0.50935%0.345SS..BIsolated β-bridgetrans-69.8120.6172.3179.70000108.4T51T51-V58 HydrophobicContact CG2-CG2 4.21Å
59I94.8Very high94.2Very high5 Ų561 Ų613%0.02632%0.318CS..SBendtrans-71.2-50.1177.6-63.9-179.1000109.4V30 L46 N50 C52 I57 P64 Y67V30-I59 HydrophobicContact CG1-CB 4.47Å; V30-I59 HydrophobicContact CG1-CD1 3.83Å; V30-I59 HydrophobicContact CG1-CG1 3.72Å; V30-I59 HydrophobicContact CG1-CG2 4.15Å; V30-I59 HydrophobicContact CG2-CD1 3.86Å; L46-I59 HydrophobicContact CD1-CD1 4.3Å; L46-I59 HydrophobicContact CD2-CD1 3.72Å; N50-I59 PolarHBondContact O-N 3.43Å; C52-I59 HydrophobicContact CB-CG1 4.4Å; I57-I59 PolarHBondContact O-N 3.49Å; I59-P64 HydrophobicContact CB-CB 4.33Å; I59-P64 HydrophobicContact CG2-CB 4.19Å; I59-Y67 VanDerWaalsContact CG2-CB 3.46Å
60H93.4Very high94.1Very high48 Ų4864 Ų6422%0.22233%0.329CS..  trans-165.2151.7174.5-174.9-87.5000109.7N50 S62 H63 Y67N50-H60 WeakPolarHBondContact CB-O 3.26Å; H60-S62 PolarHBondContact CE1-OG 3.04Å; H60-S62 VanDerWaalsContact CE1-OG 3.29Å; H60-S62 PolarHBondContact ND1-N 2.92Å; H60-H63 PolarHBondContact ND1-N 3.21Å; H60-Y67 HydrophobicContact CB-CD2 3.59Å; H60-Y67 HydrophobicContact CB-CE2 3.92Å; H60-Y67 HydrophobicContact CB-CG 4.03Å; H60-Y67 AromaticContact CD2-CD2 3.7Å; H60-Y67 AromaticContact CD2-CE2 3.04Å; H60-Y67 WeakPolarHBondContact CD2-CE2 3.48Å; H60-Y67 AromaticContact CD2-CZ 3.26Å; H60-Y67 PolarHBondContact CD2-OH 2.93Å; H60-Y67 AromaticContact CG-CD2 3.68Å; H60-Y67 AromaticContact CG-CE2 3.47Å; H60-Y67 VanDerWaalsContact CG-CE2 3.47Å; H60-Y67 AromaticContact NE2-CE2 3.7Å; H60-Y67 AromaticContact NE2-CZ 3.94Å
61Q91.2Very high94.1Very high168 Ų16862.9 Ų62.979%0.78532%0.323SS*.SBendtrans-65.3-47.3-174.8-64.8179.2100113.7N50N50-Q61 PolarHBondContact ND2-O 2.87Å
62S89.4Confident93.9Very high79 Ų7969.3 Ų69.355%0.55235%0.345SS*.SBendtrans-117.2-37.3-174.9490000115.5H60 P64H60-S62 PolarHBondContact CE1-OG 3.04Å; H60-S62 VanDerWaalsContact CE1-OG 3.29Å; H60-S62 PolarHBondContact ND1-N 2.92Å; S62-P64 VanDerWaalsContact O-CD 3.24Å; S62-P64 WeakPolarHBondContact O-CD 3.36Å
63H88.8Confident93.8Very high98 Ų9873.9 Ų73.945%0.45437%0.373SS..  trans-11762.6-176.1-51.8101.1000114.2H60 L65 Q66 Y67H60-H63 PolarHBondContact ND1-N 3.21Å; H63-L65 PolarHBondContact O-N 3.48Å; H63-Q66 HydrophobicContact CB-CB 4.28Å; H63-Q66 HydrophobicContact CB-CG 3.94Å; H63-Q66 PolarHBondContact O-N 3.16Å; H63-Y67 WeakPolarHBondContact O-CD2 3.38Å
64P92.3Very high93.8Very high13 Ų1375.3 Ų75.38%0.08438%0.378CS..G310 helixtrans-58.6-31.9-178.525.7-35000113.4L46 N50 I59 S62 Q66 Y67L46-P64 HydrophobicContact CB-CB 4.49Å; L46-P64 HydrophobicContact CB-CG 4.31Å; L46-P64 HydrophobicContact CD1-CB 4.23Å; L46-P64 HydrophobicContact CD2-CB 4.03Å; L46-P64 HydrophobicContact CG-CB 4.46Å; N50-P64 HydrophobicContact CB-CB 4.49Å; N50-P64 HydrophobicContact CB-CG 4.35Å; I59-P64 HydrophobicContact CB-CB 4.33Å; I59-P64 HydrophobicContact CG2-CB 4.19Å; S62-P64 VanDerWaalsContact O-CD 3.24Å; S62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-Q66 PolarHBondContact O-N 3.47Å; P64-Y67 PolarHBondContact O-N 3.12Å
65L91.2Very high93.9Very high85 Ų8573.1 Ų73.145%0.44536%0.364SS..G310 helixtrans-62.4-20.9176.4-65.6177.3000114V43 L46 H63 Y67 I68V43-L65 HydrophobicContact CB-CD2 4.46Å; V43-L65 HydrophobicContact CG1-CD2 4.24Å; V43-L65 HydrophobicContact CG2-CD2 4.29Å; L46-L65 HydrophobicContact CB-CD2 3.93Å; L46-L65 HydrophobicContact CD1-CD2 4.12Å; H63-L65 PolarHBondContact O-N 3.48Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-I68 HydrophobicContact CD2-CD1 4.04Å; L65-I68 WeakPolarHBondContact O-CG1 3.44Å
66Q89.3Confident93.8Very high86 Ų8674.7 Ų74.740%0.40237%0.369SS..G310 helixtrans-83.5-4174.9-63.2-179.314.900112.7H63 P64 K212H63-Q66 HydrophobicContact CB-CB 4.28Å; H63-Q66 HydrophobicContact CB-CG 3.94Å; H63-Q66 PolarHBondContact O-N 3.16Å; P64-Q66 PolarHBondContact O-N 3.47Å; Q66-K212 WeakPolarHBondContact O-CE 3.24Å; Q66-K212 PolarHBondContact O-NZ 3.01Å
67Y91.9Very high93.8Very high77 Ų7770.4 Ų70.430%0.30236%0.357SS..G310 helixtrans-11923.4-176-73.5-101.5000111.7T31 I59 H60 H63 P64 L65T31-Y67 PolarHBondContact N-O 3.35Å; T31-Y67 PolarHBondContact OG1-O 2.89Å; T31-Y67 VanDerWaalsContact OG1-O 3.12Å; I59-Y67 VanDerWaalsContact CG2-CB 3.46Å; H60-Y67 HydrophobicContact CB-CD2 3.59Å; H60-Y67 HydrophobicContact CB-CE2 3.92Å; H60-Y67 HydrophobicContact CB-CG 4.03Å; H60-Y67 AromaticContact CD2-CD2 3.7Å; H60-Y67 AromaticContact CD2-CE2 3.04Å; H60-Y67 WeakPolarHBondContact CD2-CE2 3.48Å; H60-Y67 AromaticContact CD2-CZ 3.26Å; H60-Y67 PolarHBondContact CD2-OH 2.93Å; H60-Y67 AromaticContact CG-CD2 3.68Å; H60-Y67 AromaticContact CG-CE2 3.47Å; H60-Y67 VanDerWaalsContact CG-CE2 3.47Å; H60-Y67 AromaticContact NE2-CE2 3.7Å; H60-Y67 AromaticContact NE2-CZ 3.94Å; H63-Y67 WeakPolarHBondContact O-CD2 3.38Å; P64-Y67 PolarHBondContact O-N 3.12Å; L65-Y67 VanDerWaalsContact C-N 3.28Å
68I94.2Very high93.9Very high13 Ų1367.2 Ų67.27%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-122.2157.8167.967.4176.8000108.4T28 T29 V30 L42 V43 L46 L65T28-I68 HydrophobicContact CG2-CB 3.95Å; T28-I68 HydrophobicContact CG2-CD1 4Å; T28-I68 HydrophobicContact CG2-CG1 4.13Å; T29-I68 WeakPolarHBondContact O-CA 3.45Å; V30-I68 HydrophobicContact CG2-CG2 4.21Å; L42-I68 HydrophobicContact CD2-CB 4.09Å; L42-I68 HydrophobicContact CD2-CD1 4.2Å; L42-I68 HydrophobicContact CD2-CG2 3.68Å; L42-I68 HydrophobicContact CG-CD1 4.4Å; L42-I68 HydrophobicContact CG-CG2 4.36Å; V43-I68 HydrophobicContact CG2-CD1 4.19Å; L46-I68 HydrophobicContact CD1-CD1 4.11Å; L46-I68 HydrophobicContact CD1-CG2 3.78Å; L65-I68 HydrophobicContact CD2-CD1 4.04Å; L65-I68 WeakPolarHBondContact O-CG1 3.44Å
69G92.5Very high93.9Very high23 Ų2365 Ų6524%0.23732%0.323CS..EExtended strand (participates in β ladder)trans-154.8151.7176.100000111.9T28 T29 D71T28-G69 CarbonylContact C-O 3.47Å; T28-G69 WeakPolarHBondContact CA-O 3.25Å; T29-G69 PolarHBondContact N-O 2.75Å; T29-G69 PolarHBondContact O-N 3.49Å; G69-D71 PolarHBondContact O-N 2.86Å
70H94.1Very high94Very high119 Ų11972.9 Ų72.955%0.55136%0.358SS*.EExtended strand (participates in β ladder)trans-61.3129.9174.8-61.185.3000111R39R39-H70 WeakPolarHBondContact CD-NE2 3.18Å; R39-H70 PolarHBondContact NE-NE2 3.25Å
71D96.5Very high94.1Very high39 Ų3974.2 Ų74.221%0.20937%0.366CS..  trans-103.779.1177-162.6-29.4000109.5A27 T29 G69 T73 M74 Q75A27-D71 HydrophobicContact CB-CB 4.3Å; A27-D71 PolarHBondContact O-N 3.06Å; T29-D71 VanDerWaalsContact OG1-CB 3.31Å; T29-D71 WeakPolarHBondContact OG1-CB 2.91Å; T29-D71 PolarHBondContact OG1-OD2 3.13Å; G69-D71 PolarHBondContact O-N 2.86Å; D71-T73 PolarHBondContact O-N 2.95Å; D71-M74 HydrophobicContact CB-CB 3.99Å; D71-M74 HydrophobicContact CB-CG 4.29Å; D71-M74 VanDerWaalsContact CG-CB 3.44Å; D71-M74 PolarHBondContact O-N 3.16Å; D71-M74 WeakPolarHBondContact OD1-CB 3.36Å; D71-M74 VanDerWaalsContact OD1-CG 3.31Å; D71-M74 WeakPolarHBondContact OD1-CG 3.37Å; D71-M74 PolarHBondContact OD1-N 3Å; D71-M74 WeakPolarHBondContact OD2-CG 3.4Å; D71-Q75 PolarHBondContact O-N 2.91Å
72R94.2Very high94.3Very high162 Ų16266.6 Ų66.661%0.61133%0.331SS*.Hα-helixtrans-56.9-41.1-178.1-67.9-173.9-71.3-127.30.8111.6Q75 D76R72-Q75 PolarHBondContact O-N 3.23Å; R72-D76 WeakPolarHBondContact O-CB 3.49Å; R72-D76 PolarHBondContact O-N 2.83Å
73T95.9Very high94.7Very high96 Ų9668.4 Ų68.459%0.58934%0.341SS*.Hα-helixtrans-63.4-46.6179.1-52.70000111.4D71 Q75 D76 I77D71-T73 PolarHBondContact O-N 2.95Å; T73-Q75 VanDerWaalsContact C-N 3.32Å; T73-Q75 PolarHBondContact O-N 3.47Å; T73-D76 PolarHBondContact O-N 3.36Å; T73-I77 HydrophobicContact CG2-CD1 4.06Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.4Å; T73-I77 PolarHBondContact O-N 3.13Å
74M97.3Very high95Very high50 Ų5065.6 Ų65.625%0.24634%0.339CS..Hα-helixtrans-63.9-39.3176.4-73.2-60.6-66.300111.9A27 D71 I77 V78A27-M74 HydrophobicContact CB-CB 4.15Å; D71-M74 HydrophobicContact CB-CB 3.99Å; D71-M74 HydrophobicContact CB-CG 4.29Å; D71-M74 VanDerWaalsContact CG-CB 3.44Å; D71-M74 PolarHBondContact O-N 3.16Å; D71-M74 WeakPolarHBondContact OD1-CB 3.36Å; D71-M74 VanDerWaalsContact OD1-CG 3.31Å; D71-M74 WeakPolarHBondContact OD1-CG 3.37Å; D71-M74 PolarHBondContact OD1-N 3Å; D71-M74 WeakPolarHBondContact OD2-CG 3.4Å; M74-I77 PolarHBondContact O-N 3.3Å; M74-I77 HydrophobicContact SD-CD1 4.18Å; M74-V78 WeakPolarHBondContact O-CG2 3.36Å; M74-V78 PolarHBondContact O-N 3.47Å
75Q97.6Very high95.3Very high14 Ų1466.2 Ų66.27%0.06534%0.341CS..Hα-helixtrans-62.6-44175.6-1705856.800112L24 A27 D71 R72 T73 I77 V78 Y79L24-Q75 PolarHBondContact O-NE2 3.08Å; L24-Q75 VanDerWaalsContact O-NE2 3.08Å; L24-Q75 PolarHBondContact O-OE1 3.48Å; A27-Q75 HydrophobicContact CB-CB 3.99Å; D71-Q75 PolarHBondContact O-N 2.91Å; R72-Q75 PolarHBondContact O-N 3.23Å; T73-Q75 VanDerWaalsContact C-N 3.32Å; T73-Q75 PolarHBondContact O-N 3.47Å; Q75-I77 VanDerWaalsContact C-N 3.31Å; Q75-I77 PolarHBondContact O-N 3.03Å; Q75-V78 PolarHBondContact O-N 3.17Å; Q75-Y79 HydrophobicContact CG-CD2 3.88Å; Q75-Y79 HydrophobicContact CG-CE2 3.53Å; Q75-Y79 VanDerWaalsContact NE2-CE1 3.25Å; Q75-Y79 VanDerWaalsContact NE2-CE2 3.27Å; Q75-Y79 PolarHBondContact O-N 3.44Å
76D96.6Very high95.6Very high83 Ų8366.1 Ų66.144%0.44434%0.338SS..Hα-helixtrans-62-40.8176.8-68.5-14.7000111.4R72 T73 K80R72-D76 WeakPolarHBondContact O-CB 3.49Å; R72-D76 PolarHBondContact O-N 2.83Å; T73-D76 PolarHBondContact O-N 3.36Å; D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.37Å; D76-K80 WeakPolarHBondContact O-CD 3.42Å; D76-K80 WeakPolarHBondContact O-CG 3.22Å; D76-K80 PolarHBondContact O-N 3.42Å
77I96.4Very high95.9Very high69 Ų6967.8 Ų67.835%0.35435%0.346SS..Hα-helixtrans-60.9-47.7175-71.4165.9000110T73 M74 Q75 Y79 K80 L81T73-I77 HydrophobicContact CG2-CD1 4.06Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.4Å; T73-I77 PolarHBondContact O-N 3.13Å; M74-I77 PolarHBondContact O-N 3.3Å; M74-I77 HydrophobicContact SD-CD1 4.18Å; Q75-I77 VanDerWaalsContact C-N 3.31Å; Q75-I77 PolarHBondContact O-N 3.03Å; I77-Y79 PolarHBondContact O-N 3.47Å; I77-K80 PolarHBondContact O-N 2.97Å; I77-L81 HydrophobicContact CG2-CD1 3.55Å; I77-L81 HydrophobicContact CG2-CG 4.19Å; I77-L81 WeakPolarHBondContact O-CB 3.42Å; I77-L81 VanDerWaalsContact O-CG 3.23Å; I77-L81 WeakPolarHBondContact O-CG 3.09Å; I77-L81 PolarHBondContact O-N 3.21Å
78V97.7Very high96.2Very high0 Ų065.3 Ų65.30%034%0.342CS..Hα-helixtrans-60.9-47.6-179.4175.10000110.8I15 L24 M74 Q75 K80 L81 V82 L85I15-V78 HydrophobicContact CB-CG2 3.94Å; I15-V78 HydrophobicContact CG2-CG2 3.99Å; L24-V78 HydrophobicContact CB-CG1 4.44Å; L24-V78 HydrophobicContact CB-CG2 3.98Å; L24-V78 HydrophobicContact CD1-CG2 4.03Å; M74-V78 WeakPolarHBondContact O-CG2 3.36Å; M74-V78 PolarHBondContact O-N 3.47Å; Q75-V78 PolarHBondContact O-N 3.17Å; V78-K80 VanDerWaalsContact C-N 3.34Å; V78-K80 PolarHBondContact O-N 2.83Å; V78-L81 PolarHBondContact O-N 3.4Å; V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 2.91Å; V78-L85 HydrophobicContact CG1-CD2 3.57Å
79Y97.5Very high96.3Very high37 Ų3766.5 Ų66.515%0.14535%0.347CS..Hα-helixtrans-65.4-34.3178.3-72-34.3000113.3I25 Q75 I77 L85 Q86I25-Y79 HydrophobicContact CD1-CE1 4.19Å; Q75-Y79 HydrophobicContact CG-CD2 3.88Å; Q75-Y79 HydrophobicContact CG-CE2 3.53Å; Q75-Y79 VanDerWaalsContact NE2-CE1 3.25Å; Q75-Y79 VanDerWaalsContact NE2-CE2 3.27Å; Q75-Y79 PolarHBondContact O-N 3.44Å; I77-Y79 PolarHBondContact O-N 3.47Å; Y79-L85 HydrophobicContact CD1-CB 4.46Å; Y79-L85 HydrophobicContact CD1-CD2 4.13Å; Y79-L85 HydrophobicContact CD1-CG 4.16Å; Y79-L85 HydrophobicContact CE1-CD2 4.39Å; Y79-L85 HydrophobicContact CE1-CG 4.24Å; Y79-Q86 HydrophobicContact CD1-CB 3.59Å; Y79-Q86 HydrophobicContact CD1-CG 4.12Å; Y79-Q86 HydrophobicContact CD2-CB 4.32Å; Y79-Q86 HydrophobicContact CD2-CG 4.03Å; Y79-Q86 HydrophobicContact CE1-CB 3.96Å; Y79-Q86 HydrophobicContact CE1-CG 4.22Å; Y79-Q86 HydrophobicContact CE2-CG 4.12Å; Y79-Q86 HydrophobicContact CG-CB 3.8Å; Y79-Q86 HydrophobicContact CG-CG 4.03Å
80K96.1Very high96.3Very high172 Ų17269.5 Ų69.575%0.74836%0.356SS*.Hα-helixtrans-74-29.7176.1-73.5171-177.9172.30113.4D76 I77 V78D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.37Å; D76-K80 WeakPolarHBondContact O-CD 3.42Å; D76-K80 WeakPolarHBondContact O-CG 3.22Å; D76-K80 PolarHBondContact O-N 3.42Å; I77-K80 PolarHBondContact O-N 2.97Å; V78-K80 VanDerWaalsContact C-N 3.34Å; V78-K80 PolarHBondContact O-N 2.83Å
81L95.6Very high96.4Very high75 Ų7570.6 Ų70.639%0.39336%0.355SS..Hα-helixtrans-88-30.7-176.8-71.2179.2000113.9I11 I15 I77 V78 P83I11-L81 HydrophobicContact CG2-CD1 4.12Å; I15-L81 HydrophobicContact CG2-CD1 4.35Å; I77-L81 HydrophobicContact CG2-CD1 3.55Å; I77-L81 HydrophobicContact CG2-CG 4.19Å; I77-L81 WeakPolarHBondContact O-CB 3.42Å; I77-L81 VanDerWaalsContact O-CG 3.23Å; I77-L81 WeakPolarHBondContact O-CG 3.09Å; I77-L81 PolarHBondContact O-N 3.21Å; V78-L81 PolarHBondContact O-N 3.4Å; L81-P83 WeakPolarHBondContact O-CD 3.42Å
82V96.4Very high96.3Very high9 Ų974.8 Ų74.86%0.05537%0.372CS..SBendtrans-102106.8-176.1-171.50000110L8 I15 Y23 V78 G84 L85L8-V82 HydrophobicContact CD1-CG2 4.18Å; L8-V82 HydrophobicContact CD2-CG1 4.28Å; I15-V82 HydrophobicContact CD1-CG2 3.65Å; Y23-V82 HydrophobicContact CD1-CG2 3.81Å; Y23-V82 HydrophobicContact CD2-CG1 3.98Å; Y23-V82 HydrophobicContact CD2-CG2 4.47Å; Y23-V82 HydrophobicContact CE1-CG1 4.49Å; Y23-V82 HydrophobicContact CE1-CG2 3.79Å; Y23-V82 HydrophobicContact CE2-CG1 3.74Å; Y23-V82 HydrophobicContact CE2-CG2 4.45Å; Y23-V82 HydrophobicContact CG-CG1 4.46Å; Y23-V82 HydrophobicContact CG-CG2 4.17Å; V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 2.91Å; V82-G84 PolarHBondContact O-N 2.96Å; V82-L85 HydrophobicContact CB-CB 3.78Å; V82-L85 HydrophobicContact CB-CD2 3.77Å; V82-L85 HydrophobicContact CB-CG 4.38Å; V82-L85 HydrophobicContact CG1-CB 3.71Å; V82-L85 HydrophobicContact CG1-CD2 4.04Å; V82-L85 HydrophobicContact CG1-CG 4.32Å; V82-L85 HydrophobicContact CG2-CD2 4.01Å; V82-L85 WeakPolarHBondContact O-CB 3.34Å; V82-L85 PolarHBondContact O-N 2.96Å
83P95.9Very high96.3Very high116 Ų11670 Ų7075%0.75336%0.356SS*.THydrogen-bonded Turntrans-60131.7-177.8-23.434.5000112.5L81 L85L81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-L85 PolarHBondContact O-N 3.41Å
84G96.5Very high96.1Very high40 Ų4072.1 Ų72.141%0.41235%0.353SS..THydrogen-bonded Turntrans75.1-0.1175.100000115.2V82 E87 A88V82-G84 PolarHBondContact O-N 2.96Å; G84-E87 VanDerWaalsContact C-OE2 3.22Å; G84-E87 WeakPolarHBondContact CA-OE2 3.42Å; G84-A88 WeakPolarHBondContact O-CB 3.28Å; G84-A88 PolarHBondContact O-N 3.31Å
85L97.4Very high96Very high26 Ų2674.1 Ų74.114%0.13636%0.362CS..Hα-helixtrans-67.2-45.9-174.7-179.664.6000111.8Y23 I25 V78 Y79 V82 P83 A88 E89Y23-L85 HydrophobicContact CD2-CD1 4.07Å; Y23-L85 HydrophobicContact CD2-CD2 4.34Å; Y23-L85 HydrophobicContact CG-CD1 4.46Å; Y23-L85 HydrophobicContact CG-CD2 4.06Å; I25-L85 HydrophobicContact CD1-CD1 4.23Å; I25-L85 HydrophobicContact CD1-CD2 4.49Å; I25-L85 HydrophobicContact CD1-CG 4.34Å; V78-L85 HydrophobicContact CG1-CD2 3.57Å; Y79-L85 HydrophobicContact CD1-CB 4.46Å; Y79-L85 HydrophobicContact CD1-CD2 4.13Å; Y79-L85 HydrophobicContact CD1-CG 4.16Å; Y79-L85 HydrophobicContact CE1-CD2 4.39Å; Y79-L85 HydrophobicContact CE1-CG 4.24Å; V82-L85 HydrophobicContact CB-CB 3.78Å; V82-L85 HydrophobicContact CB-CD2 3.77Å; V82-L85 HydrophobicContact CB-CG 4.38Å; V82-L85 HydrophobicContact CG1-CB 3.71Å; V82-L85 HydrophobicContact CG1-CD2 4.04Å; V82-L85 HydrophobicContact CG1-CG 4.32Å; V82-L85 HydrophobicContact CG2-CD2 4.01Å; V82-L85 WeakPolarHBondContact O-CB 3.34Å; V82-L85 PolarHBondContact O-N 2.96Å; P83-L85 PolarHBondContact O-N 3.41Å; L85-A88 PolarHBondContact O-N 2.87Å; L85-E89 WeakPolarHBondContact O-CB 3.5Å; L85-E89 PolarHBondContact O-N 3.15Å
86Q97.2Very high95.9Very high82 Ų8279.2 Ų79.238%0.38338%0.384SS..Hα-helixtrans-65.4-45.4-178.4-171.3174.5-1.900111Y79 A88 E89 M90Y79-Q86 HydrophobicContact CD1-CB 3.59Å; Y79-Q86 HydrophobicContact CD1-CG 4.12Å; Y79-Q86 HydrophobicContact CD2-CB 4.32Å; Y79-Q86 HydrophobicContact CD2-CG 4.03Å; Y79-Q86 HydrophobicContact CE1-CB 3.96Å; Y79-Q86 HydrophobicContact CE1-CG 4.22Å; Y79-Q86 HydrophobicContact CE2-CG 4.12Å; Y79-Q86 HydrophobicContact CG-CB 3.8Å; Y79-Q86 HydrophobicContact CG-CG 4.03Å; Q86-A88 VanDerWaalsContact C-N 3.35Å; Q86-A88 PolarHBondContact O-N 3.49Å; Q86-E89 PolarHBondContact O-N 3.02Å; Q86-M90 WeakPolarHBondContact O-CB 3.31Å; Q86-M90 VanDerWaalsContact O-CG 3.27Å; Q86-M90 WeakPolarHBondContact O-CG 3.4Å; Q86-M90 PolarHBondContact O-N 2.95Å
87E96.7Very high95.7Very high121 Ų12178.1 Ų78.157%0.56537%0.374SS*.Hα-helixtrans-64.7-40.9178.5-60.377.9-172.200111.3G84 R91G84-E87 VanDerWaalsContact C-OE2 3.22Å; G84-E87 WeakPolarHBondContact CA-OE2 3.42Å; E87-R91 VanDerWaalsContact O-CB 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.43Å; E87-R91 PolarHBondContact O-N 2.98Å
88A97.1Very high95.5Very high26 Ų2682.2 Ų82.222%0.21539%0.391CS..Hα-helixtrans-63.9-40.9176.300000112G84 L85 Q86 K92G84-A88 WeakPolarHBondContact O-CB 3.28Å; G84-A88 PolarHBondContact O-N 3.31Å; L85-A88 PolarHBondContact O-N 2.87Å; Q86-A88 VanDerWaalsContact C-N 3.35Å; Q86-A88 PolarHBondContact O-N 3.49Å; A88-K92 WeakPolarHBondContact O-CG 3.42Å; A88-K92 PolarHBondContact O-N 3.08Å; A88-K92 VanDerWaalsContact O-N 3.09Å
89E96.4Very high95.3Very high37 Ų3790.2 Ų90.217%0.17343%0.426CS..Hα-helixtrans-68.2-47.2177.2-17558.1-157.600111.7I25 L85 Q86 R91 K92 Q93I25-E89 HydrophobicContact CD1-CB 4.31Å; I25-E89 HydrophobicContact CD1-CG 4.1Å; I25-E89 HydrophobicContact CG2-CG 3.92Å; L85-E89 WeakPolarHBondContact O-CB 3.5Å; L85-E89 PolarHBondContact O-N 3.15Å; Q86-E89 PolarHBondContact O-N 3.02Å; E89-R91 VanDerWaalsContact C-N 3.28Å; E89-R91 PolarHBondContact O-N 3.32Å; E89-K92 WeakPolarHBondContact O-CB 3.38Å; E89-K92 PolarHBondContact O-N 3.05Å; E89-K92 VanDerWaalsContact O-N 3.1Å; E89-Q93 WeakPolarHBondContact O-CG 3.35Å; E89-Q93 PolarHBondContact O-N 3.11Å; E89-Q93 PolarHBondContact OE1-NE2 3.02Å
90M93.7Very high95.1Very high86 Ų8693 Ų9342%0.42444%0.443SS..Hα-helixtrans-58.7-39.9175.3-72.1-66.9-177.800112Q86 Q93 R94Q86-M90 WeakPolarHBondContact O-CB 3.31Å; Q86-M90 VanDerWaalsContact O-CG 3.27Å; Q86-M90 WeakPolarHBondContact O-CG 3.4Å; Q86-M90 PolarHBondContact O-N 2.95Å; M90-Q93 PolarHBondContact O-N 3.4Å; M90-R94 WeakPolarHBondContact O-CG 3.45Å; M90-R94 PolarHBondContact O-N 3.06Å
91R95.7Very high94.8Very high142 Ų14288.3 Ų88.354%0.53644%0.444SS..Hα-helixtrans-61.4-47.3173.7175.2175.954.7173.1-3.6111.7E87 E89 Q93 R94 E95E87-R91 VanDerWaalsContact O-CB 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.43Å; E87-R91 PolarHBondContact O-N 2.98Å; E89-R91 VanDerWaalsContact C-N 3.28Å; E89-R91 PolarHBondContact O-N 3.32Å; R91-Q93 VanDerWaalsContact C-N 3.31Å; R91-Q93 PolarHBondContact O-N 3.34Å; R91-R94 PolarHBondContact O-N 3.11Å; R91-E95 HydrophobicContact CG-CG 4.39Å; R91-E95 WeakPolarHBondContact CG-OE1 3.49Å; R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.9Å
92K95Very high94.4Very high128 Ų12890 Ų9056%0.55745%0.451SS*.Hα-helixtrans-59.3-42.2177.1-73.2173.1-175.8174.40111.9A88 E89 E95 F96A88-K92 WeakPolarHBondContact O-CG 3.42Å; A88-K92 PolarHBondContact O-N 3.08Å; A88-K92 VanDerWaalsContact O-N 3.09Å; E89-K92 WeakPolarHBondContact O-CB 3.38Å; E89-K92 PolarHBondContact O-N 3.05Å; E89-K92 VanDerWaalsContact O-N 3.1Å; K92-E95 PolarHBondContact O-N 3.41Å; K92-F96 WeakPolarHBondContact O-CB 3.26Å; K92-F96 PolarHBondContact O-N 3.24Å
93Q92.6Very high93.8Very high60 Ų6097.6 Ų97.628%0.2849%0.486SS..Hα-helixtrans-62.9-47.6177.4-69.5179.78.800111.4E89 M90 R91 E95 F96 Y97E89-Q93 WeakPolarHBondContact O-CG 3.35Å; E89-Q93 PolarHBondContact O-N 3.11Å; E89-Q93 PolarHBondContact OE1-NE2 3.02Å; M90-Q93 PolarHBondContact O-N 3.4Å; R91-Q93 VanDerWaalsContact C-N 3.31Å; R91-Q93 PolarHBondContact O-N 3.34Å; Q93-E95 PolarHBondContact O-N 3.35Å; Q93-F96 WeakPolarHBondContact O-CB 3.27Å; Q93-F96 PolarHBondContact O-N 3.22Å; Q93-Y97 VanDerWaalsContact O-CD2 3.27Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.37Å; Q93-Y97 PolarHBondContact O-N 3.16Å
94R93.1Very high93.2Very high142 Ų14293.4 Ų93.454%0.53646%0.458SS..Hα-helixtrans-60.2-45.6176.4-72-168.9-72.7-158.2-2.2112.5M90 R91 F96 Y97 H98 V104M90-R94 WeakPolarHBondContact O-CG 3.45Å; M90-R94 PolarHBondContact O-N 3.06Å; R91-R94 PolarHBondContact O-N 3.11Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.12Å; R94-Y97 PolarHBondContact O-N 2.87Å; R94-H98 VanDerWaalsContact O-CB 3.26Å; R94-H98 WeakPolarHBondContact O-CB 3.38Å; R94-H98 PolarHBondContact O-N 3.36Å; R94-V104 HydrophobicContact CB-CG2 4.44Å; R94-V104 HydrophobicContact CG-CG2 3.99Å
95E95.3Very high92.3Very high92 Ų9296 Ų9643%0.4347%0.467SS..Hα-helixtrans-60.7-37.3176.6-73.5173.3-166.600112.2R91 K92 Q93 K99R91-E95 HydrophobicContact CG-CG 4.39Å; R91-E95 WeakPolarHBondContact CG-OE1 3.49Å; R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.9Å; K92-E95 PolarHBondContact O-N 3.41Å; Q93-E95 PolarHBondContact O-N 3.35Å; E95-K99 WeakPolarHBondContact O-CB 3.49Å; E95-K99 VanDerWaalsContact O-CG 3.23Å; E95-K99 WeakPolarHBondContact O-CG 3.35Å; E95-K99 PolarHBondContact O-N 2.77Å; E95-K99 VanDerWaalsContact O-N 3.08Å
96F94.3Very high90.9Very high120 Ų12098.1 Ų98.153%0.52650%0.496SS..Hα-helixtrans-65-51176.3175.7-98.1000112.2K92 Q93 R94 K99 L100K92-F96 WeakPolarHBondContact O-CB 3.26Å; K92-F96 PolarHBondContact O-N 3.24Å; Q93-F96 WeakPolarHBondContact O-CB 3.27Å; Q93-F96 PolarHBondContact O-N 3.22Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.12Å; F96-K99 PolarHBondContact O-N 3.44Å; F96-L100 HydrophobicContact CD1-CD1 4.06Å; F96-L100 HydrophobicContact CE1-CD1 3.46Å; F96-L100 VanDerWaalsContact CE1-CD1 3.46Å; F96-L100 HydrophobicContact CE2-CD1 4.18Å; F96-L100 HydrophobicContact CZ-CD1 3.54Å; F96-L100 PolarHBondContact O-N 3.3Å
97Y93.1Very high89.3Confident61 Ų6199.3 Ų99.324%0.23951%0.505CS..Hα-helixtrans-65.4-39.7178.7-79.6-73.4000112.5Q93 R94 K99 L100 G101 M102 V104 P105Q93-Y97 VanDerWaalsContact O-CD2 3.27Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.37Å; Q93-Y97 PolarHBondContact O-N 3.16Å; R94-Y97 PolarHBondContact O-N 2.87Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 2.67Å; Y97-L100 CarbonylContact O-C 3.59Å; Y97-L100 WeakPolarHBondContact O-CA 3.47Å; Y97-L100 PolarHBondContact O-N 3.43Å; Y97-G101 PolarHBondContact O-N 3.15Å; Y97-G101 VanDerWaalsContact O-N 3.11Å; Y97-M102 CarbonylContact C-O 3.22Å; Y97-M102 HydrophobicContact CD1-CB 3.95Å; Y97-M102 PolarHBondContact O-N 3.48Å; Y97-V104 HydrophobicContact CD2-CB 4.32Å; Y97-V104 HydrophobicContact CD2-CG1 4.17Å; Y97-V104 HydrophobicContact CD2-CG2 4.03Å; Y97-V104 HydrophobicContact CG-CG2 4.12Å; Y97-P105 HydrophobicContact CE1-CG 4.03Å; Y97-P105 HydrophobicContact CE2-CG 4.42Å
98H91.7Very high87.1Confident154 Ų15498.9 Ų98.971%0.71351%0.505SS*.Hα-helixtrans-59.6-42.6174.7-178.9-85.5000111.9R94 L100 G101R94-H98 VanDerWaalsContact O-CB 3.26Å; R94-H98 WeakPolarHBondContact O-CB 3.38Å; R94-H98 PolarHBondContact O-N 3.36Å; H98-L100 PolarHBondContact O-N 3.41Å; H98-G101 PolarHBondContact O-N 3.35Å
99K94.3Very high84.8Confident168 Ų168106.3 Ų106.373%0.7353%0.533SS*.Hα-helixtrans-63.2-26.9175.3-77171.2-177.1173.40113.3E95 F96 Y97E95-K99 WeakPolarHBondContact O-CB 3.49Å; E95-K99 VanDerWaalsContact O-CG 3.23Å; E95-K99 WeakPolarHBondContact O-CG 3.35Å; E95-K99 PolarHBondContact O-N 2.77Å; E95-K99 VanDerWaalsContact O-N 3.08Å; F96-K99 PolarHBondContact O-N 3.44Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 2.67Å
100L92.9Very high81.8Confident97 Ų97107.5 Ų107.551%0.50856%0.555SS.*THydrogen-bonded Turntrans-87.6-4.1175.4-66.7174.4000113.4F96 Y97 H98 M102F96-L100 HydrophobicContact CD1-CD1 4.06Å; F96-L100 HydrophobicContact CE1-CD1 3.46Å; F96-L100 VanDerWaalsContact CE1-CD1 3.46Å; F96-L100 HydrophobicContact CE2-CD1 4.18Å; F96-L100 HydrophobicContact CZ-CD1 3.54Å; F96-L100 PolarHBondContact O-N 3.3Å; Y97-L100 CarbonylContact O-C 3.59Å; Y97-L100 WeakPolarHBondContact O-CA 3.47Å; Y97-L100 PolarHBondContact O-N 3.43Å; H98-L100 PolarHBondContact O-N 3.41Å; L100-M102 HydrophobicContact CB-CB 4.39Å; L100-M102 HydrophobicContact CB-CG 4.04Å; L100-M102 HydrophobicContact CB-SD 4.08Å; L100-M102 HydrophobicContact CD1-SD 4.32Å; L100-M102 PolarHBondContact O-N 3.14Å
101G89.5Confident78.9Confident73 Ų73112 Ų11275%0.75358%0.575SS**THydrogen-bonded Turntrans65.725.1-173.900000113.3Y97 H98Y97-G101 PolarHBondContact O-N 3.15Å; Y97-G101 VanDerWaalsContact O-N 3.11Å; H98-G101 PolarHBondContact O-N 3.35Å
102M87.1Confident76Confident111 Ų111111.9 Ų111.955%0.54759%0.59SS.*  trans-110150.2-176.5-67.8179.269.900110.8Y97 L100Y97-M102 CarbonylContact C-O 3.22Å; Y97-M102 HydrophobicContact CD1-CB 3.95Å; Y97-M102 PolarHBondContact O-N 3.48Å; L100-M102 HydrophobicContact CB-CB 4.39Å; L100-M102 HydrophobicContact CB-CG 4.04Å; L100-M102 HydrophobicContact CB-SD 4.08Å; L100-M102 HydrophobicContact CD1-SD 4.32Å; L100-M102 PolarHBondContact O-N 3.14Å
103E84.3Confident72.9Confident167 Ų167111 Ų11178%0.7860%0.598SS**PPolyproline II helixtrans-73.1143.4170.1-64.7-175.7160.200110.4P105E103-P105 WeakPolarHBondContact O-CD 2.92Å
104V82.4Confident70.3Confident29 Ų29113.7 Ų113.718%0.17662%0.624CS.*PPolyproline II helixtrans-72.7123.3178-179.60000107.9R94 Y97 G106 D107R94-V104 HydrophobicContact CB-CG2 4.44Å; R94-V104 HydrophobicContact CG-CG2 3.99Å; Y97-V104 HydrophobicContact CD2-CB 4.32Å; Y97-V104 HydrophobicContact CD2-CG1 4.17Å; Y97-V104 HydrophobicContact CD2-CG2 4.03Å; Y97-V104 HydrophobicContact CG-CG2 4.12Å; V104-G106 PolarHBondContact O-N 2.69Å; V104-G106 VanDerWaalsContact O-N 3.16Å; V104-D107 PolarHBondContact O-N 2.94Å
105P78.4Confident67.6Low93 Ų93111.5 Ų111.560%0.60464%0.637SS**THydrogen-bonded Turntrans-59122177.6-24.234.5000110.9Y97 E103Y97-P105 HydrophobicContact CE1-CG 4.03Å; Y97-P105 HydrophobicContact CE2-CG 4.42Å; E103-P105 WeakPolarHBondContact O-CD 2.92Å
106G66.9Low64.8Low72 Ų72116.9 Ų116.974%0.74266%0.658SS**THydrogen-bonded Turntrans108.9-14.1178.700000114.9V104 I108V104-G106 PolarHBondContact O-N 2.69Å; V104-G106 VanDerWaalsContact O-N 3.16Å; G106-I108 PolarHBondContact O-N 3Å
107D65.3Low62.2Low107 Ų107120.8 Ų120.857%0.57268%0.678SS**  trans-76.169.7169.6-77.2-19.8000109.7V104 K109V104-D107 PolarHBondContact O-N 2.94Å; D107-K109 PolarHBondContact O-N 3.45Å
108I49.5Very low59.5Low112 Ų112125.3 Ų125.357%0.57470%0.701SS**  trans-71.7101.8164.6-59.2176.5000106G106 G110G106-I108 PolarHBondContact O-N 3Å; I108-G110 PolarHBondContact O-N 3.24Å
109K48.7Very low57Low182 Ų182126.1 Ų126.179%0.79171%0.71SS**  trans-56.1105.2163.3-74.3176.7178170.10107.4D107 E111D107-K109 PolarHBondContact O-N 3.45Å; K109-E111 PolarHBondContact O-N 3.17Å
110G33.3Very low54.2Low61 Ų61124.2 Ų124.263%0.62971%0.708SS**  trans-58.3105.5163.800000107.9I108 T112I108-G110 PolarHBondContact O-N 3.24Å; G110-T112 VanDerWaalsContact C-N 3.27Å; G110-T112 PolarHBondContact O-N 3.3Å
111E34Very low51.7Low182 Ų182125.1 Ų125.185%0.8572%0.722SS**  trans-59.693.2166.9-72.6177.1129.400108.3K109K109-E111 PolarHBondContact O-N 3.17Å
112T34.2Very low49.5Very low139 Ų139130.3 Ų130.385%0.85373%0.727SS**  trans-95.486.5156.524.70000107.7G110 S114G110-T112 VanDerWaalsContact C-N 3.27Å; G110-T112 PolarHBondContact O-N 3.3Å; T112-S114 PolarHBondContact O-N 3.04Å
113C30.7Very low47.2Very low108 Ų108136.6 Ų136.673%0.7374%0.744SS**  trans-62.8111.7154.5-63.10000107.9
114S36.5Very low44.9Very low118 Ų118136.7 Ų136.783%0.82575%0.75SS**  trans-177.5131.5137.7-84.50000113.7T112T112-S114 PolarHBondContact O-N 3.04Å
115A36.4Very low42.7Very low96 Ų96139 Ų13979%0.79378%0.779SS**  trans79.288.5150.100000119.2
116K36.4Very low40.8Very low204 Ų204143.7 Ų143.789%0.88779%0.794SS**  trans-20.4124.9137.3-64.7171.3169.6179.90114.1
117Q40Very low39.6Very low202 Ų202147.3 Ų147.394%0.94480%0.802SS**  trans-142120137.5-73.5-166.9-13.600109.9
118H38.1Very low38.5Very low156 Ų156151.7 Ų151.772%0.72282%0.815SS**  trans-105.9123.3176.8171.9-73.3000106.1
119L39Very low38.1Very low172 Ų172150.8 Ų150.890%0.90183%0.825SS**  trans-158.1102.5157.5-140.778.3000111.4
120D34.1Very low37.7Very low127 Ų127149.8 Ų149.868%0.67983%0.828SS**  trans-75.7139.4160-72-57.3000110.5
121S40.4Very low38.3Very low117 Ų117153.7 Ų153.782%0.81884%0.835SS**  trans-175.6108.1140.3-87.30000113
122H43.1Very low38.8Very low182 Ų182150.1 Ų150.184%0.84383%0.83SS**  trans5.6130.9141.7-71.6-87.1000119.9
123R39.1Very low39.5Very low242 Ų242148.6 Ų148.691%0.91383%0.825SS**  168128.1105.2-94.7-177.4162.4-179.3-5.8114
124N35.7Very low40Very low169 Ų169151.4 Ų151.490%0.90483%0.833SS**  trans20.3137.9145.2-76.65.6000122.4
125G37.4Very low40.4Very low77 Ų77155.1 Ų155.179%0.79483%0.834SS**  trans158.9100.4144.400000114.7
126E38.1Very low40.7Very low193 Ų193160.1 Ų160.190%0.90284%0.841SS**  trans-67.3135171.6-60.3163.1108.200111.8
127T41.2Very low41Very low148 Ų148154.4 Ų154.491%0.90883%0.832SS**  trans-162.8150.1136.9-26.70000111.5
128K42Very low41.2Very low198 Ų198149.4 Ų149.486%0.86183%0.825SS**  trans-83.5164.3-164.6-60.9172.4170.8174.80115.1
129A41.2Very low41.6Very low94 Ų94150.7 Ų150.778%0.77783%0.831SS**  trans85.7121.7136.900000120.5
130D42Very low41.9Very low161 Ų161151.5 Ų151.586%0.86183%0.83SS**  trans93.4128.9133.5-104.6-19.3000122.2
131D44.3Very low42.5Very low143 Ų143154.5 Ų154.577%0.76584%0.837SS**  trans100.7133.6140.4-139.410.8000120.9
132S45.1Very low42.8Very low107 Ų107154.5 Ų154.575%0.74883%0.834SS**  trans-67.6133.9-168.1-53.30000111.8
133S48.3Very low43.2Very low107 Ų107154.8 Ų154.875%0.74884%0.836SS**  trans-148.5109.5149.247.10000110.8K135S133-K135 PolarHBondContact O-N 3.29Å
134N40.9Very low44Very low167 Ų167151 Ų15189%0.89383%0.829SS**  trans-50115.7163-83-21000109.4
135K46.3Very low45.1Very low196 Ų196149.9 Ų149.985%0.85282%0.823SS**  trans-124102157.1-94.1-179174.8176.30107.7S133 A137S133-K135 PolarHBondContact O-N 3.29Å; K135-A137 VanDerWaalsContact C-N 3.32Å; K135-A137 PolarHBondContact O-N 3.08Å
136E41.7Very low46.7Very low200 Ų200150.2 Ų150.294%0.93581%0.806SS**  trans-55.598.5161.4-67.4172.8153.100107.6A138E136-A138 PolarHBondContact O-N 3.38Å
137A43.6Very low48.8Very low85 Ų85143.8 Ų143.870%0.70278%0.778SS**  trans-80.2111.4167.800000106.8K135 E139K135-A137 VanDerWaalsContact C-N 3.32Å; K135-A137 PolarHBondContact O-N 3.08Å; A137-E139 PolarHBondContact O-N 2.98Å
138A43.4Very low50.7Low96 Ų96145 Ų14579%0.79377%0.767SS**  trans-58.2105.4167.700000108.5E136 E140E136-A138 PolarHBondContact O-N 3.38Å; A138-E140 PolarHBondContact O-N 3.04Å
139E47.7Very low52.7Low184 Ų184141 Ų14186%0.8675%0.752SS**  trans-69.297.8169.8-72179.2163.400108.4A137 K141A137-E139 PolarHBondContact O-N 2.98Å; E139-K141 PolarHBondContact O-N 3.38Å; E139-K141 VanDerWaalsContact O-N 3.11Å
140E44.7Very low54.5Low188 Ų188145.6 Ų145.688%0.87975%0.749SS**  trans-60.9107.6161-72-177.9162.300107.8A138A138-E140 PolarHBondContact O-N 3.04Å
141K45.9Very low56.5Low191 Ų191141 Ų14183%0.8373%0.729SS**PPolyproline II helixtrans-58.8126171.5-81.3-173.2172.1-170.70108.5E139 E143E139-K141 PolarHBondContact O-N 3.38Å; E139-K141 VanDerWaalsContact O-N 3.11Å; K141-E143 PolarHBondContact O-N 3.38Å
142P46.5Very low58.7Low116 Ų116136 Ų13675%0.75370%0.702SS**PPolyproline II helixtrans-59.9132.9174.924.8-30.8000108.5E144P142-E144 PolarHBondContact O-N 3.2Å; P142-E144 VanDerWaalsContact O-N 3.08Å
143E52.4Low60.8Low188 Ų188136.3 Ų136.388%0.87969%0.692SS**PPolyproline II helixtrans-51.2117.6172.2-65.2-176.5155.300108.1K141 D145K141-E143 PolarHBondContact O-N 3.38Å; E143-D145 VanDerWaalsContact C-N 3.27Å; E143-D145 PolarHBondContact O-N 3.47Å
144E55.8Low63Low162 Ų162134.1 Ų134.176%0.75767%0.67SS**  trans-62.691.8174.2-72.7177.7174.300108.3P142 N146P142-E144 PolarHBondContact O-N 3.2Å; P142-E144 VanDerWaalsContact O-N 3.08Å; E144-N146 PolarHBondContact O-N 2.92Å; E144-N146 PolarHBondContact O-ND2 3.47Å
145D59.3Low65.5Low147 Ų147126.9 Ų126.979%0.78663%0.632SS**  trans-67.175.3166-171.924.7000108.1E143 D147E143-D145 VanDerWaalsContact C-N 3.27Å; E143-D145 PolarHBondContact O-N 3.47Å; D145-D147 PolarHBondContact O-N 3.29Å; D145-D147 VanDerWaalsContact O-N 3.13Å
146N70.4Confident67.9Low83 Ų83119.9 Ų119.944%0.44461%0.608SS.*  trans-67.7109.3171.1-72-65.6000106.3E144 Y148E144-N146 PolarHBondContact O-N 2.92Å; E144-N146 PolarHBondContact O-ND2 3.47Å; N146-Y148 WeakPolarHBondContact O-CD2 3.38Å; N146-Y148 WeakPolarHBondContact O-CE2 2.98Å; N146-Y148 PolarHBondContact O-N 2.98Å
147D82.6Confident70.5Confident59 Ų59110.4 Ų110.432%0.31656%0.563SS.*  trans-63-6.1-175.974.83.2000114.5D145 H149 R150 S151D145-D147 PolarHBondContact O-N 3.29Å; D145-D147 VanDerWaalsContact O-N 3.13Å; D147-H149 VanDerWaalsContact C-N 3.27Å; D147-H149 PolarHBondContact O-N 3.09Å; D147-H149 PolarHBondContact OD1-N 3.1Å; D147-R150 WeakPolarHBondContact O-CB 3.23Å; D147-R150 VanDerWaalsContact O-CD 3.3Å; D147-R150 WeakPolarHBondContact O-CD 3.43Å; D147-R150 WeakPolarHBondContact O-CG 3.45Å; D147-R150 PolarHBondContact O-N 3.4Å; D147-S151 WeakPolarHBondContact OD2-CB 3.4Å; D147-S151 PolarHBondContact OD2-OG 2.95Å
148Y80.8Confident73.1Confident172 Ų172106.7 Ų106.768%0.67553%0.532SS*.THydrogen-bonded Turntrans50.941.5-176.1-59.1-76.8000113.3N146 R150N146-Y148 WeakPolarHBondContact O-CD2 3.38Å; N146-Y148 WeakPolarHBondContact O-CE2 2.98Å; N146-Y148 PolarHBondContact O-N 2.98Å; Y148-R150 PolarHBondContact O-N 3.41Å
149H83.9Confident75.6Confident115 Ų115102.1 Ų102.153%0.53250%0.495SS..THydrogen-bonded Turntrans63.423-178.5-53.5-68.4000114.1D147 D152 Q154D147-H149 VanDerWaalsContact C-N 3.27Å; D147-H149 PolarHBondContact O-N 3.09Å; D147-H149 PolarHBondContact OD1-N 3.1Å; H149-D152 WeakPolarHBondContact CB-OD2 3.48Å; H149-D152 IonicContact CG-OD2 2.87Å; H149-D152 IonicContact ND1-OD2 3.57Å; H149-D152 PolarHBondContact ND1-OD2 3.43Å; H149-Q154 PolarHBondContact O-NE2 2.9Å; H149-Q154 VanDerWaalsContact O-NE2 3.1Å
150R79Confident77.9Confident191 Ų19196.3 Ų96.372%0.72147%0.467SS*.SBendtrans-74.5-27.4176.7-70.7172.5-179.8150.60.2112.5D147 Y148D147-R150 WeakPolarHBondContact O-CB 3.23Å; D147-R150 VanDerWaalsContact O-CD 3.3Å; D147-R150 WeakPolarHBondContact O-CD 3.43Å; D147-R150 WeakPolarHBondContact O-CG 3.45Å; D147-R150 PolarHBondContact O-N 3.4Å; Y148-R150 PolarHBondContact O-N 3.41Å
151S85.1Confident80.3Confident64 Ų6489.1 Ų89.145%0.44844%0.437SS..SBendtrans-82.3-17.8176.773.30000113.5D147D147-S151 WeakPolarHBondContact OD2-CB 3.4Å; D147-S151 PolarHBondContact OD2-OG 2.95Å
152D89.2Confident82.5Confident37 Ų3783.4 Ų83.420%0.19842%0.416CS..SBendtrans-56.4152.2177.7-71.2-2.4000111.9H149 Q154 S177H149-D152 WeakPolarHBondContact CB-OD2 3.48Å; H149-D152 IonicContact CG-OD2 2.87Å; H149-D152 IonicContact ND1-OD2 3.57Å; H149-D152 PolarHBondContact ND1-OD2 3.43Å; D152-Q154 WeakPolarHBondContact O-CG 3.34Å; D152-Q154 PolarHBondContact O-N 3.33Å; D152-Q154 PolarHBondContact O-NE2 3.36Å; D152-S177 WeakPolarHBondContact CB-OG 3.18Å; D152-S177 WeakPolarHBondContact OD2-CB 3.43Å; D152-S177 PolarHBondContact OD2-OG 2.9Å
153E90.2Very high84.5Confident114 Ų11479.7 Ų79.753%0.53339%0.393SS..PPolyproline II helixtrans-51127.4164.2-176.3-175.4175.500109.6A178 K217E153-A178 HydrophobicContact CB-CB 4.17Å; E153-A178 HydrophobicContact CG-CB 4.33Å; E153-A178 WeakPolarHBondContact O-CB 3.36Å; E153-A178 PolarHBondContact O-N 3.32Å; E153-K217 WeakPolarHBondContact OE2-CE 3.39Å; E153-K217 IonicContact OE2-NZ 3.66Å; E153-K217 PolarHBondContact OE2-NZ 3.13Å
154Q93.7Very high86.1Confident62 Ų6276.8 Ų76.829%0.2939%0.393SS..EExtended strand (participates in β ladder)trans-101.9137.5-175.2-59-65.1-5300111.4H149 D152 R175 C176H149-Q154 PolarHBondContact O-NE2 2.9Å; H149-Q154 VanDerWaalsContact O-NE2 3.1Å; D152-Q154 WeakPolarHBondContact O-CG 3.34Å; D152-Q154 PolarHBondContact O-N 3.33Å; D152-Q154 PolarHBondContact O-NE2 3.36Å; Q154-R175 HydrophobicContact CB-CG 4.06Å; Q154-C176 WeakPolarHBondContact CA-O 2.92Å; Q154-C176 PolarHBondContact OE1-O 3.49Å
155V94Very high87.5Confident15 Ų1577.7 Ų77.79%0.09140%0.395CS..EExtended strand (participates in β ladder)trans-112.2132.4175.8-179.30000110I157 R175 C176 A178 L216 V220 L231V155-I157 HydrophobicContact CG1-CG1 4.1Å; V155-R175 WeakPolarHBondContact O-CA 3.21Å; V155-C176 PolarHBondContact N-O 3.28Å; V155-C176 PolarHBondContact O-N 2.87Å; V155-A178 HydrophobicContact CG2-CB 3.61Å; V155-L216 HydrophobicContact CB-CB 4.45Å; V155-L216 HydrophobicContact CB-CD1 4.42Å; V155-L216 HydrophobicContact CG2-CB 4.31Å; V155-V220 HydrophobicContact CG1-CG2 3.86Å; V155-V220 HydrophobicContact CG2-CG2 4.37Å; V155-L231 HydrophobicContact CG1-CB 4.36Å
156S96Very high88.9Confident49 Ų4972.4 Ų72.434%0.34337%0.366SS..EExtended strand (participates in β ladder)trans-91.7127.2170.1-64.80000110.7I174 P230 L231S156-I174 WeakPolarHBondContact CA-O 3.27Å; S156-P230 CarbonylContact O-C 3.52Å; S156-P230 WeakPolarHBondContact O-CA 3.43Å; S156-P230 WeakPolarHBondContact O-CB 3.24Å; S156-L231 PolarHBondContact O-N 3.14Å
157I96.7Very high89.8Confident0 Ų078.9 Ų78.90%038%0.384CS..EExtended strand (participates in β ladder)trans-123.9142.5-174.7-50.9165000109.6V155 L159 W173 I174 L185 L216 L231 L233V155-I157 HydrophobicContact CG1-CG1 4.1Å; I157-L159 HydrophobicContact CG2-CD2 4.21Å; I157-L159 HydrophobicContact CG2-CG 4.28Å; I157-W173 WeakPolarHBondContact O-CA 3.27Å; I157-I174 PolarHBondContact N-O 3.33Å; I157-I174 PolarHBondContact O-N 3.33Å; I157-L185 HydrophobicContact CD1-CD1 4.1Å; I157-L185 HydrophobicContact CD1-CD2 4.04Å; I157-L216 HydrophobicContact CD1-CD1 3.26Å; I157-L216 HydrophobicContact CD1-CD2 3.8Å; I157-L216 HydrophobicContact CD1-CG 4.14Å; I157-L216 HydrophobicContact CG1-CD1 4.23Å; I157-L231 CarbonylContact C-O 3.55Å; I157-L231 VanDerWaalsContact CA-O 3.27Å; I157-L231 WeakPolarHBondContact CA-O 3.23Å; I157-L231 WeakPolarHBondContact CG2-O 3.23Å; I157-L233 HydrophobicContact CG2-CB 4.47Å; I157-L233 HydrophobicContact CG2-CD1 3.79Å; I157-L233 HydrophobicContact CG2-CG 4.04Å
158C97.2Very high90.2Very high7 Ų778.3 Ų78.35%0.04739%0.393CS..EExtended strand (participates in β ladder)trans-112124.5164.3-173.40000109.2K172 W173 P230 L231 L232 L233C158-K172 CarbonylContact C-O 3.51Å; C158-K172 WeakPolarHBondContact CA-O 3.43Å; C158-W173 HydrophobicContact CB-CD2 4.33Å; C158-W173 HydrophobicContact CB-CE3 4.23Å; C158-W173 HydrophobicContact CB-CH2 4.35Å; C158-W173 HydrophobicContact CB-CZ2 4.4Å; C158-W173 HydrophobicContact CB-CZ3 4.29Å; C158-P230 HydrophobicContact CB-CB 4.26Å; C158-P230 HydrophobicContact CB-CG 3.87Å; C158-L231 PolarHBondContact N-O 3.06Å; C158-L232 HydrophobicContact CB-CD1 4.03Å; C158-L233 PolarHBondContact O-N 3.24Å
159L97.1Very high90.7Very high1 Ų170.7 Ų70.71%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-104117.5178.4-68.9173.9000110.8I157 L169 K172 I174 F188 I189 L233 Y235I157-L159 HydrophobicContact CG2-CD2 4.21Å; I157-L159 HydrophobicContact CG2-CG 4.28Å; L159-L169 HydrophobicContact CB-CD1 3.91Å; L159-L169 HydrophobicContact CD1-CD1 3.73Å; L159-L169 HydrophobicContact CG-CD1 4.5Å; L159-K172 PolarHBondContact N-O 3.29Å; L159-K172 VanDerWaalsContact O-CB 3.32Å; L159-K172 WeakPolarHBondContact O-CB 3.15Å; L159-K172 WeakPolarHBondContact O-CG 3.49Å; L159-I174 HydrophobicContact CD1-CD1 3.52Å; L159-I174 HydrophobicContact CD1-CG1 4.49Å; L159-I174 HydrophobicContact CG-CD1 4.49Å; L159-F188 HydrophobicContact CD1-CD1 4.33Å; L159-F188 HydrophobicContact CD1-CE1 4.37Å; L159-I189 HydrophobicContact CD1-CD1 4.09Å; L159-I189 HydrophobicContact CD1-CG1 3.96Å; L159-I189 HydrophobicContact CD2-CD1 4.13Å; L159-L233 WeakPolarHBondContact CA-O 3.46Å; L159-L233 HydrophobicContact CD2-CB 3.97Å; L159-L233 HydrophobicContact CD2-CD1 4.41Å; L159-Y235 HydrophobicContact CB-CD1 4.29Å; L159-Y235 HydrophobicContact CB-CE1 4.36Å
160E96.1Very high91.1Very high62 Ų6275.3 Ų75.329%0.2938%0.382SS..EExtended strand (participates in β ladder)trans-118.9138179.3-61.6-149.2121.100112.2N162 K172 L232 L233 H234 Y235E160-N162 PolarHBondContact O-N 3.19Å; E160-K172 HydrophobicContact CG-CD 4.28Å; E160-K172 IonicContact OE1-NZ 2.84Å; E160-K172 PolarHBondContact OE1-NZ 2.94Å; E160-L232 HydrophobicContact CB-CD1 4.39Å; E160-L232 HydrophobicContact CG-CD1 3.73Å; E160-L233 PolarHBondContact N-O 3.01Å; E160-H234 CarbonylContact O-C 3.6Å; E160-H234 VanDerWaalsContact O-CA 3.27Å; E160-H234 WeakPolarHBondContact O-CA 3.25Å; E160-Y235 VanDerWaalsContact C-CE1 3.44Å; E160-Y235 VanDerWaalsContact O-CD1 3.22Å; E160-Y235 WeakPolarHBondContact O-CD1 3.49Å; E160-Y235 PolarHBondContact O-N 2.83Å
161C95.3Very high91.7Very high37 Ų3776.3 Ų76.325%0.2539%0.386CS..EExtended strand (participates in β ladder)trans-77.2120.9176.7-165.90000109.1S163 L166 Y235C161-S163 PolarHBondContact SG-O 3.18Å; C161-L166 PolarHBondContact SG-O 3.14Å; C161-L166 VanDerWaalsContact SG-O 3.42Å; C161-Y235 WeakPolarHBondContact CA-O 3.46Å; C161-Y235 HydrophobicContact CB-CE1 4.07Å; C161-Y235 HydrophobicContact CB-CE2 3.83Å; C161-Y235 WeakPolarHBondContact CB-OH 3.21Å
162N92Very high92.2Very high71 Ų7177 Ų7738%0.3838%0.381SS..  trans-104.348.7173.1-168.312.2000110.5E160 H234 Y235E160-N162 PolarHBondContact O-N 3.19Å; N162-H234 HydrophobicContact CB-CB 3.92Å; N162-Y235 PolarHBondContact N-O 2.98Å
163S88.7Confident92.5Very high38 Ų3883.3 Ų83.327%0.26640%0.402SS..  trans-161.4140.2174.4-170.70000111.3C161 K165 P237C161-S163 PolarHBondContact SG-O 3.18Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.92Å; S163-K165 VanDerWaalsContact OG-N 3.17Å; S163-P237 VanDerWaalsContact CB-CD 3.45Å; S163-P237 WeakPolarHBondContact OG-CD 3.47Å
164S85.9Confident92.7Very high127 Ų12779.6 Ų79.689%0.88839%0.385SS*.THydrogen-bonded Turntrans-74.9-16168.754.20000113.2L166S164-L166 VanDerWaalsContact C-N 3.32Å
165K85.1Confident92.8Very high181 Ų18185.2 Ų85.279%0.78740%0.404SS*.THydrogen-bonded Turntrans-79.2-14-178.9-61.6-178.3179.81790113.3S163 P237S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.92Å; S163-K165 VanDerWaalsContact OG-N 3.17Å; K165-P237 HydrophobicContact CB-CG 4.21Å
166L87.1Confident92.8Very high35 Ų3585.9 Ų85.918%0.18341%0.409CS..SBendtrans-122145.1179.1-74.8176000111.7C161 S164 L195 L201 P237C161-L166 PolarHBondContact SG-O 3.14Å; C161-L166 VanDerWaalsContact SG-O 3.42Å; S164-L166 VanDerWaalsContact C-N 3.32Å; L166-L195 HydrophobicContact CD2-CD1 4.45Å; L166-L195 HydrophobicContact CD2-CD2 3.89Å; L166-L201 HydrophobicContact CD1-CD2 3.55Å; L166-P237 HydrophobicContact CD1-CB 4.37Å; L166-P237 VanDerWaalsContact CD1-CD 3.41Å; L166-P237 HydrophobicContact CD1-CG 3.55Å; L166-P237 HydrophobicContact CG-CG 3.65Å
167R89.6Confident92.8Very high219 Ų21984.1 Ų84.183%0.82640%0.397SS*.PPolyproline II helixtrans-70.4140.8173.2-59.3-178.2-175.6-161.21110L193 Y235R167-L193 HydrophobicContact CB-CD2 4.46Å; R167-L193 WeakPolarHBondContact O-CD2 3.23Å; R167-Y235 PolarHBondContact O-OH 2.99Å; R167-Y235 VanDerWaalsContact O-OH 3.09Å
168G91.2Very high92.7Very high48 Ų4884.2 Ų84.250%0.49540%0.397SS..PPolyproline II helixtrans-64.7145.8170.200000112.1K170 Y235G168-K170 PolarHBondContact O-N 3.37Å; G168-Y235 VanDerWaalsContact CA-OH 3.25Å; G168-Y235 WeakPolarHBondContact CA-OH 3.35Å
169L92.6Very high92.6Very high11 Ų1188.8 Ų88.86%0.05842%0.418CS..PPolyproline II helixtrans-64.7132.1168.4-70.2175.5000110.2L159 R171 F188 I189 K192 L193 Y235L159-L169 HydrophobicContact CB-CD1 3.91Å; L159-L169 HydrophobicContact CD1-CD1 3.73Å; L159-L169 HydrophobicContact CG-CD1 4.5Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.93Å; L169-F188 HydrophobicContact CD1-CE1 4.23Å; L169-I189 HydrophobicContact CD1-CG1 4.24Å; L169-K192 HydrophobicContact CD2-CB 3.48Å; L169-K192 VanDerWaalsContact CD2-CB 3.48Å; L169-K192 HydrophobicContact CD2-CG 4.28Å; L169-L193 HydrophobicContact CD2-CD2 3.83Å; L169-L193 HydrophobicContact CD2-CG 3.95Å; L169-Y235 HydrophobicContact CD1-CE1 4.18Å; L169-Y235 HydrophobicContact CG-CE1 4.16Å; L169-Y235 PolarHBondContact N-OH 3.37Å
170K91.1Very high92.6Very high213 Ų21389.5 Ų89.593%0.92642%0.424SS*.SBendtrans-61.3-35173.8-173.8175.8-178.6176.40112.4G168G168-K170 PolarHBondContact O-N 3.37Å
171R92.7Very high92.6Very high212 Ų21287.7 Ų87.780%0.842%0.417SS*.  trans-118.699.4175.1-68.1-176.51801670.3108.6L169L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 2.93Å
172K95Very high92.7Very high78 Ų7885.9 Ų85.934%0.33941%0.405SS..  trans-77.8-20.7-177.2-61.3-176.9173.8-173.70113.6C158 L159 E160C158-K172 CarbonylContact C-O 3.51Å; C158-K172 WeakPolarHBondContact CA-O 3.43Å; L159-K172 PolarHBondContact N-O 3.29Å; L159-K172 VanDerWaalsContact O-CB 3.32Å; L159-K172 WeakPolarHBondContact O-CB 3.15Å; L159-K172 WeakPolarHBondContact O-CG 3.49Å; E160-K172 HydrophobicContact CG-CD 4.28Å; E160-K172 IonicContact OE1-NZ 2.84Å; E160-K172 PolarHBondContact OE1-NZ 2.94Å
173W95.6Very high92.9Very high170 Ų17084.1 Ų84.164%0.64440%0.395SS*.EExtended strand (participates in β ladder)trans-98.8130-170.3-61.184.7000111.4I157 C158 P230I157-W173 WeakPolarHBondContact O-CA 3.27Å; C158-W173 HydrophobicContact CB-CD2 4.33Å; C158-W173 HydrophobicContact CB-CE3 4.23Å; C158-W173 HydrophobicContact CB-CH2 4.35Å; C158-W173 HydrophobicContact CB-CZ2 4.4Å; C158-W173 HydrophobicContact CB-CZ3 4.29Å; W173-P230 HydrophobicContact CE3-CB 4.22Å; W173-P230 HydrophobicContact CE3-CG 4.18Å; W173-P230 HydrophobicContact CH2-CG 3.63Å; W173-P230 HydrophobicContact CZ3-CB 3.68Å; W173-P230 HydrophobicContact CZ3-CG 3.27Å
174I94.8Very high93.2Very high35 Ų3585.5 Ų85.518%0.17940%0.397CS..EExtended strand (participates in β ladder)trans-134.6142.7-180-56.2177.2000109S156 I157 L159 C176 F188S156-I174 WeakPolarHBondContact CA-O 3.27Å; I157-I174 PolarHBondContact N-O 3.33Å; I157-I174 PolarHBondContact O-N 3.33Å; L159-I174 HydrophobicContact CD1-CD1 3.52Å; L159-I174 HydrophobicContact CD1-CG1 4.49Å; L159-I174 HydrophobicContact CG-CD1 4.49Å; I174-C176 HydrophobicContact CG2-CB 4.41Å; I174-F188 HydrophobicContact CD1-CD1 3.65Å; I174-F188 HydrophobicContact CD1-CE1 3.28Å; I174-F188 HydrophobicContact CD1-CE2 4.4Å; I174-F188 HydrophobicContact CD1-CG 4.37Å; I174-F188 HydrophobicContact CD1-CZ 3.69Å; I174-F188 HydrophobicContact CG1-CE1 4.32Å; I174-F188 HydrophobicContact CG1-CZ 4.39Å
175R94.6Very high93.7Very high180 Ų18079.8 Ų79.868%0.67936%0.357SS*.EExtended strand (participates in β ladder)trans-121.5126.9164.7-173.7174-178.6156.4-0.3108.4Q154 V155Q154-R175 HydrophobicContact CB-CG 4.06Å; V155-R175 WeakPolarHBondContact O-CA 3.21Å
176C94.4Very high94.3Very high30 Ų3072.3 Ų72.320%0.20332%0.324CS..EExtended strand (participates in β ladder)trans-153.3171.3179.256.70000110.9Q154 V155 I174 L216Q154-C176 WeakPolarHBondContact CA-O 2.92Å; Q154-C176 PolarHBondContact OE1-O 3.49Å; V155-C176 PolarHBondContact N-O 3.28Å; V155-C176 PolarHBondContact O-N 2.87Å; I174-C176 HydrophobicContact CG2-CB 4.41Å; C176-L216 WeakPolarHBondContact SG-CD1 3.48Å
177S95.6Very high94.7Very high12 Ų1275.4 Ų75.48%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-53.4138.1175.9162.80000111.6D152 Q179 A180D152-S177 WeakPolarHBondContact CB-OG 3.18Å; D152-S177 WeakPolarHBondContact OD2-CB 3.43Å; D152-S177 PolarHBondContact OD2-OG 2.9Å; S177-Q179 PolarHBondContact O-N 2.7Å; S177-Q179 VanDerWaalsContact O-N 3.13Å; S177-Q179 WeakPolarHBondContact OG-CB 3.46Å; S177-Q179 PolarHBondContact OG-N 3.39Å; S177-A180 VanDerWaalsContact O-CB 3.26Å; S177-A180 WeakPolarHBondContact O-CB 3.5Å; S177-A180 PolarHBondContact O-N 3.39Å
178A95.4Very high95Very high1 Ų168.4 Ų68.41%0.00831%0.312CS..THydrogen-bonded Turntrans-60.9-17.7173.600000112.5E153 V155 A180 L216 K217E153-A178 HydrophobicContact CB-CB 4.17Å; E153-A178 HydrophobicContact CG-CB 4.33Å; E153-A178 WeakPolarHBondContact O-CB 3.36Å; E153-A178 PolarHBondContact O-N 3.32Å; V155-A178 HydrophobicContact CG2-CB 3.61Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-L216 PolarHBondContact O-N 2.98Å; A178-K217 HydrophobicContact CB-CB 3.95Å; A178-K217 PolarHBondContact O-N 3.1Å
179Q95Very high95.2Very high104 Ų10466.1 Ų66.149%0.48629%0.288SS..THydrogen-bonded Turntrans-80.9-11.6174.6-57-59.8-19.800113.3S177 T181S177-Q179 PolarHBondContact O-N 2.7Å; S177-Q179 VanDerWaalsContact O-N 3.13Å; S177-Q179 WeakPolarHBondContact OG-CB 3.46Å; S177-Q179 PolarHBondContact OG-N 3.39Å; Q179-T181 PolarHBondContact O-N 2.97Å
180A96.1Very high95.3Very high16 Ų1665.9 Ų65.913%0.13229%0.288CS..  trans-58.3140.7171.500000109.7S177 A178 T215 L216S177-A180 VanDerWaalsContact O-CB 3.26Å; S177-A180 WeakPolarHBondContact O-CB 3.5Å; S177-A180 PolarHBondContact O-N 3.39Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A180-T215 CarbonylContact O-C 3.54Å; A180-T215 WeakPolarHBondContact O-CA 3.27Å; A180-L216 HydrophobicContact CB-CD1 3.96Å; A180-L216 HydrophobicContact CB-CG 4.34Å; A180-L216 WeakPolarHBondContact O-CG 3.41Å; A180-L216 PolarHBondContact O-N 3.37Å
181T96.7Very high95.5Very high23 Ų2364 Ų6414%0.14128%0.28CS..BIsolated β-bridgetrans-98.4164.5177.560.20000111.5Q179 L183 H184 L185 K212 H214 T215Q179-T181 PolarHBondContact O-N 2.97Å; T181-L183 PolarHBondContact O-N 3.3Å; T181-H184 PolarHBondContact N-ND1 2.86Å; T181-H184 WeakPolarHBondContact O-CB 3.04Å; T181-H184 PolarHBondContact O-N 3.33Å; T181-H184 PolarHBondContact OG1-ND1 3.39Å; T181-L185 PolarHBondContact O-N 2.98Å; T181-K212 WeakPolarHBondContact CB-O 3.29Å; T181-H214 CarbonylContact C-O 3.5Å; T181-H214 WeakPolarHBondContact CA-O 3.29Å; T181-T215 HydrophobicContact CG2-CG2 4.15Å
182V96.6Very high95.5Very high0 Ų060.4 Ų60.40%027%0.27CS..Hα-helixtrans-54.7-34171174.70000111.1H184 L185 K186 I203 L210 G211 H214 V219V182-H184 VanDerWaalsContact C-N 3.35Å; V182-H184 PolarHBondContact O-N 3.26Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 WeakPolarHBondContact O-CB 3.45Å; V182-L185 PolarHBondContact O-N 3.12Å; V182-L185 VanDerWaalsContact O-N 3.13Å; V182-K186 HydrophobicContact CG1-CD 4.36Å; V182-K186 HydrophobicContact CG1-CG 4.35Å; V182-K186 WeakPolarHBondContact O-CG 3.41Å; V182-K186 PolarHBondContact O-N 3.14Å; V182-I203 HydrophobicContact CG1-CB 4.01Å; V182-I203 HydrophobicContact CG1-CD1 4.09Å; V182-I203 HydrophobicContact CG1-CG1 4.44Å; V182-I203 HydrophobicContact CG1-CG2 4.49Å; V182-L210 HydrophobicContact CG1-CB 4.09Å; V182-L210 HydrophobicContact CG2-CB 3.8Å; V182-L210 HydrophobicContact CG2-CD1 3.82Å; V182-L210 HydrophobicContact CG2-CG 4.48Å; V182-G211 WeakPolarHBondContact CB-O 3.3Å; V182-H214 HydrophobicContact CG2-CB 4Å; V182-H214 PolarHBondContact N-O 2.93Å; V182-V219 HydrophobicContact CG2-CG2 4.38Å
183L96.3Very high95.4Very high33 Ų3358.2 Ų58.217%0.17326%0.262CS..Hα-helixtrans-58.5-41.9173.1-178.761000112.8T181 L185 K186 K187 F198 K212T181-L183 PolarHBondContact O-N 3.3Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 2.95Å; L183-K186 PolarHBondContact O-N 3.32Å; L183-K187 HydrophobicContact CD1-CG 4.46Å; L183-K187 HydrophobicContact CG-CD 4.38Å; L183-K187 WeakPolarHBondContact O-CG 3.38Å; L183-K187 PolarHBondContact O-N 3.45Å; L183-F198 HydrophobicContact CD1-CD2 3.69Å; L183-F198 HydrophobicContact CD1-CE2 3.33Å; L183-F198 HydrophobicContact CD1-CZ 4.03Å; L183-K212 HydrophobicContact CB-CB 4.23Å; L183-K212 WeakPolarHBondContact CB-O 3.43Å; L183-K212 PolarHBondContact N-O 3.08Å
184H96.3Very high95.3Very high68 Ų6857.2 Ų57.232%0.31527%0.269SS..Hα-helixtrans-62.5-40.5175.5-61.6134.8000111T181 V182 K187 F188T181-H184 PolarHBondContact N-ND1 2.86Å; T181-H184 WeakPolarHBondContact O-CB 3.04Å; T181-H184 PolarHBondContact O-N 3.33Å; T181-H184 PolarHBondContact OG1-ND1 3.39Å; V182-H184 VanDerWaalsContact C-N 3.35Å; V182-H184 PolarHBondContact O-N 3.26Å; H184-K187 PolarHBondContact O-N 2.78Å; H184-F188 WeakPolarHBondContact O-CB 3.12Å; H184-F188 PolarHBondContact O-N 2.78Å
185L96.7Very high95.1Very high6 Ų657.6 Ų57.63%0.03127%0.272CS..Hα-helixtrans-64.6-44.8174.3-61.9-173.4000112I157 T181 V182 L183 K187 F188 I189 I203 L216 L233I157-L185 HydrophobicContact CD1-CD1 4.1Å; I157-L185 HydrophobicContact CD1-CD2 4.04Å; T181-L185 PolarHBondContact O-N 2.98Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 WeakPolarHBondContact O-CB 3.45Å; V182-L185 PolarHBondContact O-N 3.12Å; V182-L185 VanDerWaalsContact O-N 3.13Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 2.95Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.95Å; L185-F188 WeakPolarHBondContact O-CB 3.22Å; L185-F188 PolarHBondContact O-N 2.96Å; L185-F188 VanDerWaalsContact O-N 3.15Å; L185-I189 VanDerWaalsContact O-CG1 3.26Å; L185-I189 WeakPolarHBondContact O-CG1 3.43Å; L185-I189 PolarHBondContact O-N 3.44Å; L185-I203 HydrophobicContact CB-CD1 3.56Å; L185-L216 HydrophobicContact CD1-CD2 3.77Å; L185-L216 HydrophobicContact CG-CD2 4.46Å; L185-L233 HydrophobicContact CD1-CD1 3.5Å; L185-L233 VanDerWaalsContact CD1-CD1 3.5Å
186K96.5Very high94.9Very high25 Ų2554.2 Ų54.211%0.10928%0.275CS..Hα-helixtrans-56.8-47.6176.3-71.2-178.967.3154.70111.1V182 L183 F188 I189 A190 F198 L201 I203V182-K186 HydrophobicContact CG1-CD 4.36Å; V182-K186 HydrophobicContact CG1-CG 4.35Å; V182-K186 WeakPolarHBondContact O-CG 3.41Å; V182-K186 PolarHBondContact O-N 3.14Å; L183-K186 PolarHBondContact O-N 3.32Å; K186-F188 PolarHBondContact O-N 3.24Å; K186-I189 PolarHBondContact O-N 3.08Å; K186-A190 WeakPolarHBondContact O-CB 3.19Å; K186-A190 PolarHBondContact O-N 3.32Å; K186-F198 HydrophobicContact CB-CB 4.16Å; K186-F198 HydrophobicContact CB-CD2 4.37Å; K186-F198 WeakPolarHBondContact CE-O 3.39Å; K186-L201 WeakPolarHBondContact CE-O 3.34Å; K186-L201 PolarHBondContact NZ-O 3.21Å; K186-I203 HydrophobicContact CB-CD1 4.41Å; K186-I203 HydrophobicContact CG-CD1 3.58Å; K186-I203 HydrophobicContact CG-CG1 3.88Å
187K95.9Very high94.7Very high99 Ų9954.4 Ų54.443%0.4328%0.277SS..Hα-helixtrans-61.4-42.4175.9-72.4177.1177.6-179.50112.1L183 H184 L185 K191 F198L183-K187 HydrophobicContact CD1-CG 4.46Å; L183-K187 HydrophobicContact CG-CD 4.38Å; L183-K187 WeakPolarHBondContact O-CG 3.38Å; L183-K187 PolarHBondContact O-N 3.45Å; H184-K187 PolarHBondContact O-N 2.78Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.95Å; K187-K191 WeakPolarHBondContact O-CB 3.45Å; K187-K191 PolarHBondContact O-N 2.97Å; K187-F198 HydrophobicContact CG-CB 4.26Å; K187-F198 HydrophobicContact CG-CD1 3.87Å; K187-F198 HydrophobicContact CG-CD2 4.46Å; K187-F198 HydrophobicContact CG-CE1 4.37Å; K187-F198 HydrophobicContact CG-CG 3.92Å
188F95.6Very high94.5Very high72 Ų7256.7 Ų56.732%0.31629%0.286SS..Hα-helixtrans-61.4-49176.9172.3-92.5000111.9L159 L169 I174 H184 L185 K186 K191 K192L159-F188 HydrophobicContact CD1-CD1 4.33Å; L159-F188 HydrophobicContact CD1-CE1 4.37Å; L169-F188 HydrophobicContact CD1-CE1 4.23Å; I174-F188 HydrophobicContact CD1-CD1 3.65Å; I174-F188 HydrophobicContact CD1-CE1 3.28Å; I174-F188 HydrophobicContact CD1-CE2 4.4Å; I174-F188 HydrophobicContact CD1-CG 4.37Å; I174-F188 HydrophobicContact CD1-CZ 3.69Å; I174-F188 HydrophobicContact CG1-CE1 4.32Å; I174-F188 HydrophobicContact CG1-CZ 4.39Å; H184-F188 WeakPolarHBondContact O-CB 3.12Å; H184-F188 PolarHBondContact O-N 2.78Å; L185-F188 WeakPolarHBondContact O-CB 3.22Å; L185-F188 PolarHBondContact O-N 2.96Å; L185-F188 VanDerWaalsContact O-N 3.15Å; K186-F188 PolarHBondContact O-N 3.24Å; F188-K191 PolarHBondContact O-N 3.48Å; F188-K192 HydrophobicContact CD1-CG 4.32Å; F188-K192 HydrophobicContact CD2-CG 4.33Å; F188-K192 HydrophobicContact CE1-CG 3.85Å; F188-K192 HydrophobicContact CE2-CD 4.4Å; F188-K192 HydrophobicContact CE2-CG 3.91Å; F188-K192 HydrophobicContact CZ-CD 4.28Å; F188-K192 HydrophobicContact CZ-CG 3.65Å; F188-K192 WeakPolarHBondContact O-CB 3.31Å; F188-K192 WeakPolarHBondContact O-CG 3.41Å; F188-K192 PolarHBondContact O-N 3.24Å
189I95.7Very high94.2Very high0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-63-48.1-179.7-62.9167.4000110L159 L169 L185 K186 K191 K192 L193 L201 I203 Y235L159-I189 HydrophobicContact CD1-CD1 4.09Å; L159-I189 HydrophobicContact CD1-CG1 3.96Å; L159-I189 HydrophobicContact CD2-CD1 4.13Å; L169-I189 HydrophobicContact CD1-CG1 4.24Å; L185-I189 VanDerWaalsContact O-CG1 3.26Å; L185-I189 WeakPolarHBondContact O-CG1 3.43Å; L185-I189 PolarHBondContact O-N 3.44Å; K186-I189 PolarHBondContact O-N 3.08Å; I189-K191 VanDerWaalsContact C-N 3.32Å; I189-K191 PolarHBondContact O-N 2.94Å; I189-K192 PolarHBondContact O-N 2.8Å; I189-K192 VanDerWaalsContact O-N 3.1Å; I189-L193 HydrophobicContact CG2-CD1 3.64Å; I189-L193 HydrophobicContact CG2-CG 4.22Å; I189-L193 WeakPolarHBondContact O-CB 3.31Å; I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.37Å; I189-L201 HydrophobicContact CB-CD1 3.9Å; I189-L201 HydrophobicContact CG2-CD1 3.62Å; I189-I203 HydrophobicContact CD1-CD1 3.75Å; I189-I203 HydrophobicContact CD1-CG1 4.21Å; I189-Y235 HydrophobicContact CD1-CD1 4.09Å; I189-Y235 HydrophobicContact CD1-CG 3.94Å; I189-Y235 HydrophobicContact CG2-CD2 3.88Å; I189-Y235 HydrophobicContact CG2-CE2 4.05Å; I189-Y235 HydrophobicContact CG2-CG 4.22Å
190A94.6Very high93.8Very high7 Ų760.3 Ų60.36%0.05831%0.305CS..Hα-helixtrans-56.3-45.4177.700000111.9K186 L193 N194 L195 F198 L201K186-A190 WeakPolarHBondContact O-CB 3.19Å; K186-A190 PolarHBondContact O-N 3.32Å; A190-L193 PolarHBondContact O-N 3.29Å; A190-N194 WeakPolarHBondContact O-CA 3.17Å; A190-N194 PolarHBondContact O-N 2.79Å; A190-L195 HydrophobicContact CB-CB 4.25Å; A190-L195 PolarHBondContact O-N 3.29Å; A190-F198 HydrophobicContact CB-CB 3.85Å; A190-L201 HydrophobicContact CB-CD1 4.17Å
191K94.7Very high93.6Very high173 Ų17359.5 Ų59.575%0.75230%0.299SS*.Hα-helixtrans-64.5-39.2176.1-174.5174.3-177174.80112.7K187 F188 I189 N194K187-K191 WeakPolarHBondContact O-CB 3.45Å; K187-K191 PolarHBondContact O-N 2.97Å; F188-K191 PolarHBondContact O-N 3.48Å; I189-K191 VanDerWaalsContact C-N 3.32Å; I189-K191 PolarHBondContact O-N 2.94Å; K191-N194 PolarHBondContact O-OD1 3.44Å
192K94.3Very high93.5Very high136 Ų13659.2 Ų59.259%0.59130%0.296SS*.Hα-helixtrans-74.2-27.2-179.7-74.5-64.1-177.2-172.40113.6L169 F188 I189L169-K192 HydrophobicContact CD2-CB 3.48Å; L169-K192 VanDerWaalsContact CD2-CB 3.48Å; L169-K192 HydrophobicContact CD2-CG 4.28Å; F188-K192 HydrophobicContact CD1-CG 4.32Å; F188-K192 HydrophobicContact CD2-CG 4.33Å; F188-K192 HydrophobicContact CE1-CG 3.85Å; F188-K192 HydrophobicContact CE2-CD 4.4Å; F188-K192 HydrophobicContact CE2-CG 3.91Å; F188-K192 HydrophobicContact CZ-CD 4.28Å; F188-K192 HydrophobicContact CZ-CG 3.65Å; F188-K192 WeakPolarHBondContact O-CB 3.31Å; F188-K192 WeakPolarHBondContact O-CG 3.41Å; F188-K192 PolarHBondContact O-N 3.24Å; I189-K192 PolarHBondContact O-N 2.8Å; I189-K192 VanDerWaalsContact O-N 3.1Å
193L92.6Very high93.5Very high32 Ų3259.3 Ų59.317%0.16830%0.297CS..Hα-helixtrans-98.92.2178.7-61.3-178.2000113.1R167 L169 I189 A190 L195 Y235R167-L193 HydrophobicContact CB-CD2 4.46Å; R167-L193 WeakPolarHBondContact O-CD2 3.23Å; L169-L193 HydrophobicContact CD2-CD2 3.83Å; L169-L193 HydrophobicContact CD2-CG 3.95Å; I189-L193 HydrophobicContact CG2-CD1 3.64Å; I189-L193 HydrophobicContact CG2-CG 4.22Å; I189-L193 WeakPolarHBondContact O-CB 3.31Å; I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.37Å; A190-L193 PolarHBondContact O-N 3.29Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 HydrophobicContact CB-CD1 4.45Å; L193-L195 HydrophobicContact CB-CD2 4.22Å; L193-L195 HydrophobicContact CB-CG 3.98Å; L193-L195 PolarHBondContact O-N 2.94Å; L193-Y235 HydrophobicContact CD1-CE2 3.69Å
194N92.1Very high93.5Very high149 Ų14957.8 Ų57.880%0.79729%0.289SS*.THydrogen-bonded Turntrans52.645-176.2-61.9-35.6000113.1A190 K191A190-N194 WeakPolarHBondContact O-CA 3.17Å; A190-N194 PolarHBondContact O-N 2.79Å; K191-N194 PolarHBondContact O-OD1 3.44Å
195L91Very high93.5Very high44 Ų4454.5 Ų54.523%0.2327%0.274CS..  trans-80.6151.4174.3-53.5-179000110.7L166 A190 L193 S197 L201L166-L195 HydrophobicContact CD2-CD1 4.45Å; L166-L195 HydrophobicContact CD2-CD2 3.89Å; A190-L195 HydrophobicContact CB-CB 4.25Å; A190-L195 PolarHBondContact O-N 3.29Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 HydrophobicContact CB-CD1 4.45Å; L193-L195 HydrophobicContact CB-CD2 4.22Å; L193-L195 HydrophobicContact CB-CG 3.98Å; L193-L195 PolarHBondContact O-N 2.94Å; L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 2.96Å; L195-L201 HydrophobicContact CD1-CD1 3.66Å; L195-L201 HydrophobicContact CD1-CD2 3.73Å; L195-L201 HydrophobicContact CD1-CG 3.67Å
196S89.9Confident93.4Very high108 Ų10857.3 Ų57.376%0.75529%0.289SS*.SBendtrans-60.8-40.9175.928.10000112.5E200S196-E200 VanDerWaalsContact OG-CD 3.29Å; S196-E200 PolarHBondContact OG-OE1 2.95Å; S196-E200 PolarHBondContact OG-OE2 3.2Å
197S90.4Very high93.2Very high34 Ų3461.8 Ų61.824%0.23831%0.31CS..  trans-145.8143.8-177.6-175.60000112.4L195 N199 E200L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 2.96Å; S197-N199 PolarHBondContact O-N 3.49Å; S197-N199 WeakPolarHBondContact OG-CB 3.4Å; S197-N199 PolarHBondContact OG-N 3.02Å; S197-N199 VanDerWaalsContact OG-N 3.15Å; S197-E200 PolarHBondContact O-N 2.95Å
198F91.8Very high93.1Very high61 Ų6162 Ų6227%0.26831%0.313SS..G310 helixtrans-71.3-14.2170.768.1-93.7000112.6L183 K186 K187 A190 E200 L201L183-F198 HydrophobicContact CD1-CD2 3.69Å; L183-F198 HydrophobicContact CD1-CE2 3.33Å; L183-F198 HydrophobicContact CD1-CZ 4.03Å; K186-F198 HydrophobicContact CB-CB 4.16Å; K186-F198 HydrophobicContact CB-CD2 4.37Å; K186-F198 WeakPolarHBondContact CE-O 3.39Å; K187-F198 HydrophobicContact CG-CB 4.26Å; K187-F198 HydrophobicContact CG-CD1 3.87Å; K187-F198 HydrophobicContact CG-CD2 4.46Å; K187-F198 HydrophobicContact CG-CE1 4.37Å; K187-F198 HydrophobicContact CG-CG 3.92Å; A190-F198 HydrophobicContact CB-CB 3.85Å; F198-E200 PolarHBondContact O-N 3.33Å; F198-L201 PolarHBondContact O-N 3.42Å
199N89.5Confident93Very high92 Ų9262.8 Ų62.849%0.49232%0.319SS..G310 helixtrans-70.6-19.1176.3-71.1-22.2000112.5S197 L201 K238S197-N199 PolarHBondContact O-N 3.49Å; S197-N199 WeakPolarHBondContact OG-CB 3.4Å; S197-N199 PolarHBondContact OG-N 3.02Å; S197-N199 VanDerWaalsContact OG-N 3.15Å; N199-L201 PolarHBondContact O-N 3.23Å; N199-K238 WeakPolarHBondContact O-CD 3.45Å
200E86.7Confident93Very high88 Ų8863.1 Ų63.141%0.41132%0.321SS..G310 helixtrans-818.1177.9-63.2167.3-159.900112.9S196 S197 F198 P237 K238S196-E200 VanDerWaalsContact OG-CD 3.29Å; S196-E200 PolarHBondContact OG-OE1 2.95Å; S196-E200 PolarHBondContact OG-OE2 3.2Å; S197-E200 PolarHBondContact O-N 2.95Å; F198-E200 PolarHBondContact O-N 3.33Å; E200-P237 CarbonylContact O-C 3.41Å; E200-P237 VanDerWaalsContact O-CA 3.31Å; E200-P237 WeakPolarHBondContact O-CA 3.19Å; E200-K238 PolarHBondContact O-N 3.12Å
201L92Very high93Very high0 Ų063.5 Ų63.50%033%0.325CS..EExtended strand (participates in β ladder)trans-120.5141.1-179.1-72171.8000111.3L166 K186 I189 A190 L195 F198 N199 Y235 R236L166-L201 HydrophobicContact CD1-CD2 3.55Å; K186-L201 WeakPolarHBondContact CE-O 3.34Å; K186-L201 PolarHBondContact NZ-O 3.21Å; I189-L201 HydrophobicContact CB-CD1 3.9Å; I189-L201 HydrophobicContact CG2-CD1 3.62Å; A190-L201 HydrophobicContact CB-CD1 4.17Å; L195-L201 HydrophobicContact CD1-CD1 3.66Å; L195-L201 HydrophobicContact CD1-CD2 3.73Å; L195-L201 HydrophobicContact CD1-CG 3.67Å; F198-L201 PolarHBondContact O-N 3.42Å; N199-L201 PolarHBondContact O-N 3.23Å; L201-Y235 HydrophobicContact CD2-CD2 4.41Å; L201-R236 WeakPolarHBondContact CA-O 3.37Å
202D94.7Very high92.9Very high17 Ų1757.9 Ų57.99%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-110.2143.2161.3-70.3-31.6000109.7L204 I209 Y235 R236 K238D202-L204 HydrophobicContact CB-CD1 4.29Å; D202-I209 HydrophobicContact CB-CG2 4.46Å; D202-Y235 VanDerWaalsContact O-CA 3.28Å; D202-Y235 WeakPolarHBondContact O-CA 3.28Å; D202-R236 HydrophobicContact CB-CG 4.34Å; D202-R236 PolarHBondContact N-O 3.41Å; D202-R236 PolarHBondContact O-N 3.36Å; D202-K238 WeakPolarHBondContact OD2-CA 3.23Å
203I96.5Very high92.9Very high1 Ų154.4 Ų54.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-114.7131.4171.4-60.6-177.4000107.4V182 L185 K186 I189 L210 L233 H234V182-I203 HydrophobicContact CG1-CB 4.01Å; V182-I203 HydrophobicContact CG1-CD1 4.09Å; V182-I203 HydrophobicContact CG1-CG1 4.44Å; V182-I203 HydrophobicContact CG1-CG2 4.49Å; L185-I203 HydrophobicContact CB-CD1 3.56Å; K186-I203 HydrophobicContact CB-CD1 4.41Å; K186-I203 HydrophobicContact CG-CD1 3.58Å; K186-I203 HydrophobicContact CG-CG1 3.88Å; I189-I203 HydrophobicContact CD1-CD1 3.75Å; I189-I203 HydrophobicContact CD1-CG1 4.21Å; I203-L210 HydrophobicContact CG2-CD1 4.19Å; I203-L210 PolarHBondContact O-N 3Å; I203-L233 HydrophobicContact CG2-CB 4.06Å; I203-L233 HydrophobicContact CG2-CD1 4.17Å; I203-H234 CarbonylContact C-O 3.52Å; I203-H234 WeakPolarHBondContact CA-O 3.25Å
204L96.7Very high93Very high1 Ų155.3 Ų55.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-120.8148.5-175.7-55.590.8000111D202 E208 I209 L233 H234 R236D202-L204 HydrophobicContact CB-CD1 4.29Å; L204-E208 CarbonylContact C-O 3.58Å; L204-E208 WeakPolarHBondContact CA-O 3.32Å; L204-E208 WeakPolarHBondContact CB-O 3.5Å; L204-I209 HydrophobicContact CD2-CG1 4.02Å; L204-I209 HydrophobicContact CG-CG1 4.14Å; L204-L233 WeakPolarHBondContact O-CA 3.32Å; L204-H234 HydrophobicContact CB-CB 4.41Å; L204-H234 PolarHBondContact N-O 3.31Å; L204-H234 PolarHBondContact O-N 3.01Å; L204-R236 HydrophobicContact CD1-CG 3.78Å
205C96.3Very high93.3Very high0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-131123.4168.5-176.10000107.7E207 E208 L210 V219 W224 L233C205-E207 PolarHBondContact O-N 3.39Å; C205-E208 PolarHBondContact N-O 3.2Å; C205-E208 PolarHBondContact O-N 3.46Å; C205-L210 HydrophobicContact CB-CD1 3.96Å; C205-L210 HydrophobicContact CB-CD2 3.84Å; C205-L210 HydrophobicContact CB-CG 4.06Å; C205-V219 HydrophobicContact CB-CG1 4.25Å; C205-W224 VanDerWaalsContact SG-CE3 3.59Å; C205-L233 HydrophobicContact CB-CD2 3.65Å
206N93.4Very high93.5Very high65 Ų6547.9 Ų47.935%0.34825%0.254SS..THydrogen-bonded Turntrans52.848.7-172.9-51.7-43.4000113E208 R223 W224 K227N206-E208 PolarHBondContact O-N 3.37Å; N206-R223 PolarHBondContact ND2-O 3.35Å; N206-W224 WeakPolarHBondContact OD1-CZ3 3.13Å; N206-K227 PolarHBondContact OD1-NZ 2.97Å
207E92.1Very high93.8Very high118 Ų11846.9 Ų46.955%0.55124%0.236SC*.THydrogen-bonded Turntrans62.92.8-177.7-51.8-50.7112.100116.6C205 H234C205-E207 PolarHBondContact O-N 3.39Å; E207-H234 IonicContact OE1-ND1 3.21Å
208E94.2Very high94.1Very high105 Ų10549.6 Ų49.649%0.49124%0.243SC..EExtended strand (participates in β ladder)trans-99.5136.2174.1-65.3-175.3172.500112.1L204 C205 N206 L210 R223L204-E208 CarbonylContact C-O 3.58Å; L204-E208 WeakPolarHBondContact CA-O 3.32Å; L204-E208 WeakPolarHBondContact CB-O 3.5Å; C205-E208 PolarHBondContact N-O 3.2Å; C205-E208 PolarHBondContact O-N 3.46Å; N206-E208 PolarHBondContact O-N 3.37Å; E208-L210 PolarHBondContact O-N 2.99Å; E208-R223 IonicContact OE2-CZ 3.35Å; E208-R223 IonicContact OE2-NE 2.74Å; E208-R223 PolarHBondContact OE2-NE 3.27Å; E208-R223 IonicContact OE2-NH2 2.92Å; E208-R223 PolarHBondContact OE2-NH2 3.37Å
209I94.8Very high94.3Very high87 Ų8746.7 Ų46.745%0.44623%0.231SC..EExtended strand (participates in β ladder)trans-68.1131.2175.2-58.9174.1000110.1D202 L204D202-I209 HydrophobicContact CB-CG2 4.46Å; L204-I209 HydrophobicContact CD2-CG1 4.02Å; L204-I209 HydrophobicContact CG-CG1 4.14Å
210L95.5Very high94.5Very high8 Ų844.5 Ų44.54%0.04222%0.22CC..PPolyproline II helixtrans-89.5134.5176-60.9179.6000111.6V182 I203 C205 E208 V219 L233V182-L210 HydrophobicContact CG1-CB 4.09Å; V182-L210 HydrophobicContact CG2-CB 3.8Å; V182-L210 HydrophobicContact CG2-CD1 3.82Å; V182-L210 HydrophobicContact CG2-CG 4.48Å; I203-L210 HydrophobicContact CG2-CD1 4.19Å; I203-L210 PolarHBondContact O-N 3Å; C205-L210 HydrophobicContact CB-CD1 3.96Å; C205-L210 HydrophobicContact CB-CD2 3.84Å; C205-L210 HydrophobicContact CB-CG 4.06Å; E208-L210 PolarHBondContact O-N 2.99Å; L210-V219 HydrophobicContact CD1-CG1 3.99Å; L210-V219 HydrophobicContact CD1-CG2 3.93Å; L210-V219 HydrophobicContact CD2-CG1 4.24Å; L210-V219 HydrophobicContact CD2-CG2 4.14Å; L210-L233 HydrophobicContact CD1-CD2 3.83Å
211G93.5Very high94.9Very high14 Ų1444 Ų4414%0.14422%0.223CC..PPolyproline II helixtrans-62.1141.7169.900000111.8V182 D213 H214V182-G211 WeakPolarHBondContact CB-O 3.3Å; G211-D213 PolarHBondContact O-N 3.45Å; G211-D213 VanDerWaalsContact O-N 3.16Å; G211-H214 PolarHBondContact N-CE1 3.35Å; G211-H214 PolarHBondContact N-ND1 2.96Å; G211-H214 WeakPolarHBondContact O-CB 3.25Å; G211-H214 PolarHBondContact O-N 3.14Å; G211-H214 VanDerWaalsContact O-N 3.12Å
212K93.7Very high95Very high55 Ų5547.5 Ų47.524%0.23925%0.245CC..THydrogen-bonded Turntrans-59.7-28.6-174.673.6-174.2-175.3-168.20113.4Q66 T181 L183Q66-K212 WeakPolarHBondContact O-CE 3.24Å; Q66-K212 PolarHBondContact O-NZ 3.01Å; T181-K212 WeakPolarHBondContact CB-O 3.29Å; L183-K212 HydrophobicContact CB-CB 4.23Å; L183-K212 WeakPolarHBondContact CB-O 3.43Å; L183-K212 PolarHBondContact N-O 3.08Å
213D93.6Very high95Very high63 Ų6349.5 Ų49.534%0.33725%0.251SS..THydrogen-bonded Turntrans-92.9-3.5-176.6-53.5-58.3000113.3G211 T215G211-D213 PolarHBondContact O-N 3.45Å; G211-D213 VanDerWaalsContact O-N 3.16Å; D213-T215 PolarHBondContact O-N 2.91Å
214H95.3Very high94.9Very high52 Ų5250.7 Ų50.724%0.24126%0.256CS..  trans-62.2123.3172.7-67.1170.3000109.8T181 V182 G211 F218 V219T181-H214 CarbonylContact C-O 3.5Å; T181-H214 WeakPolarHBondContact CA-O 3.29Å; V182-H214 HydrophobicContact CG2-CB 4Å; V182-H214 PolarHBondContact N-O 2.93Å; G211-H214 PolarHBondContact N-CE1 3.35Å; G211-H214 PolarHBondContact N-ND1 2.96Å; G211-H214 WeakPolarHBondContact O-CB 3.25Å; G211-H214 PolarHBondContact O-N 3.14Å; G211-H214 VanDerWaalsContact O-N 3.12Å; H214-F218 HydrophobicContact CB-CD1 3.88Å; H214-F218 HydrophobicContact CB-CE1 4.42Å; H214-F218 AromaticContact CD2-CD1 3.87Å; H214-F218 AromaticContact CD2-CE1 3.62Å; H214-F218 AromaticContact CE1-CE1 3.87Å; H214-F218 AromaticContact CG-CD1 3.71Å; H214-F218 AromaticContact CG-CE1 3.74Å; H214-F218 AromaticContact ND1-CE1 3.88Å; H214-F218 AromaticContact NE2-CE1 3.71Å; H214-V219 HydrophobicContact CB-CG2 3.93Å
215T96.9Very high94.4Very high37 Ų3759 Ų5923%0.22729%0.287CS..BIsolated β-bridgetrans-72.1154.7169.262.10000110.2A180 T181 D213 K217 F218 V219A180-T215 CarbonylContact O-C 3.54Å; A180-T215 WeakPolarHBondContact O-CA 3.27Å; T181-T215 HydrophobicContact CG2-CG2 4.15Å; D213-T215 PolarHBondContact O-N 2.91Å; T215-K217 PolarHBondContact O-N 3.32Å; T215-F218 WeakPolarHBondContact O-CB 3.49Å; T215-F218 PolarHBondContact O-N 3.11Å; T215-F218 VanDerWaalsContact O-N 3.12Å; T215-F218 WeakPolarHBondContact OG1-CB 3.29Å; T215-F218 PolarHBondContact OG1-N 2.98Å; T215-F218 VanDerWaalsContact OG1-N 3.16Å; T215-V219 WeakPolarHBondContact O-CG2 3.35Å; T215-V219 PolarHBondContact O-N 3.05Å
216L96.9Very high94.1Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-60.7-37.1175-64.5179.8000111.5V155 I157 C176 A178 A180 L185 F218 V219 V220 L231V155-L216 HydrophobicContact CB-CB 4.45Å; V155-L216 HydrophobicContact CB-CD1 4.42Å; V155-L216 HydrophobicContact CG2-CB 4.31Å; I157-L216 HydrophobicContact CD1-CD1 3.26Å; I157-L216 HydrophobicContact CD1-CD2 3.8Å; I157-L216 HydrophobicContact CD1-CG 4.14Å; I157-L216 HydrophobicContact CG1-CD1 4.23Å; C176-L216 WeakPolarHBondContact SG-CD1 3.48Å; A178-L216 PolarHBondContact O-N 2.98Å; A180-L216 HydrophobicContact CB-CD1 3.96Å; A180-L216 HydrophobicContact CB-CG 4.34Å; A180-L216 WeakPolarHBondContact O-CG 3.41Å; A180-L216 PolarHBondContact O-N 3.37Å; L185-L216 HydrophobicContact CD1-CD2 3.77Å; L185-L216 HydrophobicContact CG-CD2 4.46Å; L216-F218 VanDerWaalsContact C-N 3.33Å; L216-F218 PolarHBondContact O-N 2.91Å; L216-V219 PolarHBondContact O-N 3.03Å; L216-V220 WeakPolarHBondContact O-CB 3.1Å; L216-V220 VanDerWaalsContact O-CG2 3.28Å; L216-V220 WeakPolarHBondContact O-CG2 3.39Å; L216-V220 PolarHBondContact O-N 3.34Å; L216-L231 HydrophobicContact CD2-CD2 4.37Å
217K95.3Very high94Very high87 Ų8770 Ų7038%0.37833%0.332SS..Hα-helixtrans-55.4-48.6172.2-169.9161-177.1149.20111.6E153 A178 T215 V219 V220 V221E153-K217 WeakPolarHBondContact OE2-CE 3.39Å; E153-K217 IonicContact OE2-NZ 3.66Å; E153-K217 PolarHBondContact OE2-NZ 3.13Å; A178-K217 HydrophobicContact CB-CB 3.95Å; A178-K217 PolarHBondContact O-N 3.1Å; T215-K217 PolarHBondContact O-N 3.32Å; K217-V219 PolarHBondContact O-N 3.21Å; K217-V220 PolarHBondContact O-N 2.84Å; K217-V221 WeakPolarHBondContact O-CB 3.42Å; K217-V221 VanDerWaalsContact O-CG2 3.3Å; K217-V221 WeakPolarHBondContact O-CG2 3.41Å; K217-V221 PolarHBondContact O-N 2.91Å
218F96.1Very high93.8Very high90 Ų9073.6 Ų73.640%0.39535%0.346SS..Hα-helixtrans-60.1-45.9177.1175.2-97.5000111.7H214 T215 L216 V220 V221 T222H214-F218 HydrophobicContact CB-CD1 3.88Å; H214-F218 HydrophobicContact CB-CE1 4.42Å; H214-F218 AromaticContact CD2-CD1 3.87Å; H214-F218 AromaticContact CD2-CE1 3.62Å; H214-F218 AromaticContact CE1-CE1 3.87Å; H214-F218 AromaticContact CG-CD1 3.71Å; H214-F218 AromaticContact CG-CE1 3.74Å; H214-F218 AromaticContact ND1-CE1 3.88Å; H214-F218 AromaticContact NE2-CE1 3.71Å; T215-F218 WeakPolarHBondContact O-CB 3.49Å; T215-F218 PolarHBondContact O-N 3.11Å; T215-F218 VanDerWaalsContact O-N 3.12Å; T215-F218 WeakPolarHBondContact OG1-CB 3.29Å; T215-F218 PolarHBondContact OG1-N 2.98Å; T215-F218 VanDerWaalsContact OG1-N 3.16Å; L216-F218 VanDerWaalsContact C-N 3.33Å; L216-F218 PolarHBondContact O-N 2.91Å; F218-V220 PolarHBondContact O-N 3.45Å; F218-V221 PolarHBondContact O-N 3.45Å; F218-T222 HydrophobicContact CD2-CG2 3.89Å; F218-T222 HydrophobicContact CE1-CG2 4.32Å; F218-T222 HydrophobicContact CE2-CG2 3.6Å; F218-T222 HydrophobicContact CG-CG2 4.38Å; F218-T222 HydrophobicContact CZ-CG2 3.84Å; F218-T222 WeakPolarHBondContact O-CB 3.26Å; F218-T222 WeakPolarHBondContact O-CG2 3.41Å; F218-T222 PolarHBondContact O-N 3.3Å; F218-T222 PolarHBondContact O-OG1 3.45Å
219V96.4Very high93.6Very high0 Ų072.7 Ų72.70%036%0.356CS..Hα-helixtrans-62.9-43.3179179.40000111.5V182 C205 L210 H214 T215 L216 K217 R223 W224 L231 L233V182-V219 HydrophobicContact CG2-CG2 4.38Å; C205-V219 HydrophobicContact CB-CG1 4.25Å; L210-V219 HydrophobicContact CD1-CG1 3.99Å; L210-V219 HydrophobicContact CD1-CG2 3.93Å; L210-V219 HydrophobicContact CD2-CG1 4.24Å; L210-V219 HydrophobicContact CD2-CG2 4.14Å; H214-V219 HydrophobicContact CB-CG2 3.93Å; T215-V219 WeakPolarHBondContact O-CG2 3.35Å; T215-V219 PolarHBondContact O-N 3.05Å; L216-V219 PolarHBondContact O-N 3.03Å; K217-V219 PolarHBondContact O-N 3.21Å; V219-R223 WeakPolarHBondContact O-CA 3.47Å; V219-R223 WeakPolarHBondContact O-CB 3.29Å; V219-R223 PolarHBondContact O-N 2.83Å; V219-W224 PolarHBondContact O-N 3.05Å; V219-L231 HydrophobicContact CB-CD2 4.37Å; V219-L231 HydrophobicContact CG1-CD1 4.08Å; V219-L231 HydrophobicContact CG1-CD2 3.95Å; V219-L233 HydrophobicContact CG1-CD2 4.32Å
220V95Very high93.5Very high46 Ų4670 Ų7028%0.27935%0.345SS..Hα-helixtrans-60.2-50177170.10000110.6V155 L216 K217 F218 T222 W224 R225 L231V155-V220 HydrophobicContact CG1-CG2 3.86Å; V155-V220 HydrophobicContact CG2-CG2 4.37Å; L216-V220 WeakPolarHBondContact O-CB 3.1Å; L216-V220 VanDerWaalsContact O-CG2 3.28Å; L216-V220 WeakPolarHBondContact O-CG2 3.39Å; L216-V220 PolarHBondContact O-N 3.34Å; K217-V220 PolarHBondContact O-N 2.84Å; F218-V220 PolarHBondContact O-N 3.45Å; V220-T222 PolarHBondContact O-N 2.79Å; V220-W224 CarbonylContact O-C 3.54Å; V220-W224 VanDerWaalsContact O-C 3.22Å; V220-W224 WeakPolarHBondContact O-CA 3.41Å; V220-W224 PolarHBondContact O-N 3.49Å; V220-R225 PolarHBondContact O-N 3.07Å; V220-L231 HydrophobicContact CG2-CB 4.46Å; V220-L231 HydrophobicContact CG2-CD2 4Å
221V94Very high93.6Very high78 Ų7869.9 Ų69.947%0.47334%0.344SS..Hα-helixtrans-68.3-36.1-176.1172.90000112.6K217 F218K217-V221 WeakPolarHBondContact O-CB 3.42Å; K217-V221 VanDerWaalsContact O-CG2 3.3Å; K217-V221 WeakPolarHBondContact O-CG2 3.41Å; K217-V221 PolarHBondContact O-N 2.91Å; F218-V221 PolarHBondContact O-N 3.45Å
222T94.5Very high93.7Very high74 Ų7471.5 Ų71.545%0.45435%0.349SS..Hα-helixtrans-92-35.2-174.257.30000114.1F218 V220F218-T222 HydrophobicContact CD2-CG2 3.89Å; F218-T222 HydrophobicContact CE1-CG2 4.32Å; F218-T222 HydrophobicContact CE2-CG2 3.6Å; F218-T222 HydrophobicContact CG-CG2 4.38Å; F218-T222 HydrophobicContact CZ-CG2 3.84Å; F218-T222 WeakPolarHBondContact O-CB 3.26Å; F218-T222 WeakPolarHBondContact O-CG2 3.41Å; F218-T222 PolarHBondContact O-N 3.3Å; F218-T222 PolarHBondContact O-OG1 3.45Å; V220-T222 PolarHBondContact O-N 2.79Å
223R94Very high93.9Very high58 Ų5868.9 Ų68.922%0.21934%0.338CS..Hα-helixtrans-120.3-11.6-171.9-66.9-174.8169.798.2-5.1114.6N206 E208 V219N206-R223 PolarHBondContact ND2-O 3.35Å; E208-R223 IonicContact OE2-CZ 3.35Å; E208-R223 IonicContact OE2-NE 2.74Å; E208-R223 PolarHBondContact OE2-NE 3.27Å; E208-R223 IonicContact OE2-NH2 2.92Å; E208-R223 PolarHBondContact OE2-NH2 3.37Å; V219-R223 WeakPolarHBondContact O-CA 3.47Å; V219-R223 WeakPolarHBondContact O-CB 3.29Å; V219-R223 PolarHBondContact O-N 2.83Å
224W94.1Very high94.1Very high27 Ų2767.7 Ų67.710%0.10233%0.33CS..SBendtrans-126.19.5-176.7-142.7-104000114.5C205 N206 V219 V220 F226 K227 K228 P230 L231 L232C205-W224 VanDerWaalsContact SG-CE3 3.59Å; N206-W224 WeakPolarHBondContact OD1-CZ3 3.13Å; V219-W224 PolarHBondContact O-N 3.05Å; V220-W224 CarbonylContact O-C 3.54Å; V220-W224 VanDerWaalsContact O-C 3.22Å; V220-W224 WeakPolarHBondContact O-CA 3.41Å; V220-W224 PolarHBondContact O-N 3.49Å; W224-F226 VanDerWaalsContact C-N 3.25Å; W224-F226 PolarHBondContact O-N 3.09Å; W224-K227 HydrophobicContact CD2-CB 3.93Å; W224-K227 HydrophobicContact CD2-CD 3.74Å; W224-K227 HydrophobicContact CD2-CG 4.4Å; W224-K227 HydrophobicContact CE3-CD 3.74Å; W224-K227 HydrophobicContact CG-CB 3.99Å; W224-K227 HydrophobicContact CH2-CD 3.56Å; W224-K227 HydrophobicContact CZ2-CB 4.1Å; W224-K227 HydrophobicContact CZ2-CD 3.58Å; W224-K227 HydrophobicContact CZ2-CG 4.48Å; W224-K227 HydrophobicContact CZ3-CD 3.68Å; W224-K227 PolarHBondContact O-N 2.93Å; W224-K228 PolarHBondContact NE1-O 3.18Å; W224-P230 PolarHBondContact NE1-O 2.91Å; W224-P230 VanDerWaalsContact NE1-O 3.08Å; W224-L231 HydrophobicContact CB-CD1 3.68Å; W224-L231 HydrophobicContact CD2-CD1 3.54Å; W224-L231 HydrophobicContact CE3-CD1 3.76Å; W224-L231 HydrophobicContact CG-CD1 3.5Å; W224-L231 VanDerWaalsContact CG-CD1 3.5Å; W224-L232 HydrophobicContact CH2-CB 3.56Å; W224-L232 HydrophobicContact CZ2-CB 3.71Å; W224-L232 HydrophobicContact CZ3-CB 4.45Å
225R87.9Confident94.1Very high174 Ų17465.2 Ų65.266%0.65732%0.318SS*.THydrogen-bonded Turntrans-50.5-38.1-170.8-173.4178176.2108.30.8115V220V220-R225 PolarHBondContact O-N 3.07Å
226F88.6Confident94Very high191 Ų19166 Ų6684%0.83832%0.318SS*.THydrogen-bonded Turntrans-106.27-173.8-54.3-69.6000113.4W224W224-F226 VanDerWaalsContact C-N 3.25Å; W224-F226 PolarHBondContact O-N 3.09Å
227K90.7Very high93.8Very high106 Ų10667.7 Ų67.746%0.46133%0.328SS..SBendtrans-105.8145-179.7-67.4-176.8178.8-174.40110N206 W224N206-K227 PolarHBondContact OD1-NZ 2.97Å; W224-K227 HydrophobicContact CD2-CB 3.93Å; W224-K227 HydrophobicContact CD2-CD 3.74Å; W224-K227 HydrophobicContact CD2-CG 4.4Å; W224-K227 HydrophobicContact CE3-CD 3.74Å; W224-K227 HydrophobicContact CG-CB 3.99Å; W224-K227 HydrophobicContact CH2-CD 3.56Å; W224-K227 HydrophobicContact CZ2-CB 4.1Å; W224-K227 HydrophobicContact CZ2-CD 3.58Å; W224-K227 HydrophobicContact CZ2-CG 4.48Å; W224-K227 HydrophobicContact CZ3-CD 3.68Å; W224-K227 PolarHBondContact O-N 2.93Å
228K89.6Confident93.5Very high193 Ų19368.4 Ų68.484%0.83933%0.331SS*.PPolyproline II helixtrans-69.5151.2174.7-67.6-174.1178.6-178.50110.1W224W224-K228 PolarHBondContact NE1-O 3.18Å
229A88.8Confident92.7Very high86 Ų8670.2 Ų70.271%0.71134%0.342SS*.SBendtrans-59.2150.5169.400000110.6
230P93.9Very high91.6Very high32 Ų3276.2 Ų76.221%0.20838%0.375CS..SBendcis-75.6163.52.338.5-44.2000113.3S156 C158 W173 W224 L232S156-P230 CarbonylContact O-C 3.52Å; S156-P230 WeakPolarHBondContact O-CA 3.43Å; S156-P230 WeakPolarHBondContact O-CB 3.24Å; C158-P230 HydrophobicContact CB-CB 4.26Å; C158-P230 HydrophobicContact CB-CG 3.87Å; W173-P230 HydrophobicContact CE3-CB 4.22Å; W173-P230 HydrophobicContact CE3-CG 4.18Å; W173-P230 HydrophobicContact CH2-CG 3.63Å; W173-P230 HydrophobicContact CZ3-CB 3.68Å; W173-P230 HydrophobicContact CZ3-CG 3.27Å; W224-P230 PolarHBondContact NE1-O 2.91Å; W224-P230 VanDerWaalsContact NE1-O 3.08Å; P230-L232 PolarHBondContact O-N 3.48Å
231L96.2Very high89.9Confident4 Ų482.4 Ų82.42%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-65.6112.5160.5173.862.6000108.6V155 S156 I157 C158 L216 V219 V220 W224 L233V155-L231 HydrophobicContact CG1-CB 4.36Å; S156-L231 PolarHBondContact O-N 3.14Å; I157-L231 CarbonylContact C-O 3.55Å; I157-L231 VanDerWaalsContact CA-O 3.27Å; I157-L231 WeakPolarHBondContact CA-O 3.23Å; I157-L231 WeakPolarHBondContact CG2-O 3.23Å; C158-L231 PolarHBondContact N-O 3.06Å; L216-L231 HydrophobicContact CD2-CD2 4.37Å; V219-L231 HydrophobicContact CB-CD2 4.37Å; V219-L231 HydrophobicContact CG1-CD1 4.08Å; V219-L231 HydrophobicContact CG1-CD2 3.95Å; V220-L231 HydrophobicContact CG2-CB 4.46Å; V220-L231 HydrophobicContact CG2-CD2 4Å; W224-L231 HydrophobicContact CB-CD1 3.68Å; W224-L231 HydrophobicContact CD2-CD1 3.54Å; W224-L231 HydrophobicContact CE3-CD1 3.76Å; W224-L231 HydrophobicContact CG-CD1 3.5Å; W224-L231 VanDerWaalsContact CG-CD1 3.5Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 4.15Å; L231-L233 HydrophobicContact CD2-CD2 4.1Å; L231-L233 HydrophobicContact CD2-CG 4.19Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.91Å; L231-L233 HydrophobicContact CG-CG 3.96Å
232L96.9Very high87.3Confident48 Ų4890.2 Ų90.225%0.25144%0.443SS..EExtended strand (participates in β ladder)trans-87123175.7176.867000109.6C158 E160 W224 P230C158-L232 HydrophobicContact CB-CD1 4.03Å; E160-L232 HydrophobicContact CB-CD1 4.39Å; E160-L232 HydrophobicContact CG-CD1 3.73Å; W224-L232 HydrophobicContact CH2-CB 3.56Å; W224-L232 HydrophobicContact CZ2-CB 3.71Å; W224-L232 HydrophobicContact CZ3-CB 4.45Å; P230-L232 PolarHBondContact O-N 3.48Å
233L97.7Very high86.9Confident0 Ų091 Ų910%044%0.442CS..EExtended strand (participates in β ladder)trans-123.4136.2176.2-59.9179.1000109.6I157 C158 L159 E160 L185 I203 L204 C205 L210 V219 L231I157-L233 HydrophobicContact CG2-CB 4.47Å; I157-L233 HydrophobicContact CG2-CD1 3.79Å; I157-L233 HydrophobicContact CG2-CG 4.04Å; C158-L233 PolarHBondContact O-N 3.24Å; L159-L233 WeakPolarHBondContact CA-O 3.46Å; L159-L233 HydrophobicContact CD2-CB 3.97Å; L159-L233 HydrophobicContact CD2-CD1 4.41Å; E160-L233 PolarHBondContact N-O 3.01Å; L185-L233 HydrophobicContact CD1-CD1 3.5Å; L185-L233 VanDerWaalsContact CD1-CD1 3.5Å; I203-L233 HydrophobicContact CG2-CB 4.06Å; I203-L233 HydrophobicContact CG2-CD1 4.17Å; L204-L233 WeakPolarHBondContact O-CA 3.32Å; C205-L233 HydrophobicContact CB-CD2 3.65Å; L210-L233 HydrophobicContact CD1-CD2 3.83Å; V219-L233 HydrophobicContact CG1-CD2 4.32Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 4.15Å; L231-L233 HydrophobicContact CD2-CD2 4.1Å; L231-L233 HydrophobicContact CD2-CG 4.19Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.91Å; L231-L233 HydrophobicContact CG-CG 3.96Å
234H97Very high86.5Confident38 Ų3892.7 Ų92.718%0.17645%0.454CS..EExtended strand (participates in β ladder)trans-97.6140.4174.1-65.5115.8000109.8E160 N162 I203 L204 E207E160-H234 CarbonylContact O-C 3.6Å; E160-H234 VanDerWaalsContact O-CA 3.27Å; E160-H234 WeakPolarHBondContact O-CA 3.25Å; N162-H234 HydrophobicContact CB-CB 3.92Å; I203-H234 CarbonylContact C-O 3.52Å; I203-H234 WeakPolarHBondContact CA-O 3.25Å; L204-H234 HydrophobicContact CB-CB 4.41Å; L204-H234 PolarHBondContact N-O 3.31Å; L204-H234 PolarHBondContact O-N 3.01Å; E207-H234 IonicContact OE1-ND1 3.21Å
235Y96.4Very high86.1Confident0 Ų096.4 Ų96.40%047%0.474CS..EExtended strand (participates in β ladder)trans-122.4146.8170.770-90.6000110.7L159 E160 C161 N162 R167 G168 L169 I189 L193 L201 D202L159-Y235 HydrophobicContact CB-CD1 4.29Å; L159-Y235 HydrophobicContact CB-CE1 4.36Å; E160-Y235 VanDerWaalsContact C-CE1 3.44Å; E160-Y235 VanDerWaalsContact O-CD1 3.22Å; E160-Y235 WeakPolarHBondContact O-CD1 3.49Å; E160-Y235 PolarHBondContact O-N 2.83Å; C161-Y235 WeakPolarHBondContact CA-O 3.46Å; C161-Y235 HydrophobicContact CB-CE1 4.07Å; C161-Y235 HydrophobicContact CB-CE2 3.83Å; C161-Y235 WeakPolarHBondContact CB-OH 3.21Å; N162-Y235 PolarHBondContact N-O 2.98Å; R167-Y235 PolarHBondContact O-OH 2.99Å; R167-Y235 VanDerWaalsContact O-OH 3.09Å; G168-Y235 VanDerWaalsContact CA-OH 3.25Å; G168-Y235 WeakPolarHBondContact CA-OH 3.35Å; L169-Y235 HydrophobicContact CD1-CE1 4.18Å; L169-Y235 HydrophobicContact CG-CE1 4.16Å; L169-Y235 PolarHBondContact N-OH 3.37Å; I189-Y235 HydrophobicContact CD1-CD1 4.09Å; I189-Y235 HydrophobicContact CD1-CG 3.94Å; I189-Y235 HydrophobicContact CG2-CD2 3.88Å; I189-Y235 HydrophobicContact CG2-CE2 4.05Å; I189-Y235 HydrophobicContact CG2-CG 4.22Å; L193-Y235 HydrophobicContact CD1-CE2 3.69Å; L201-Y235 HydrophobicContact CD2-CD2 4.41Å; D202-Y235 VanDerWaalsContact O-CA 3.28Å; D202-Y235 WeakPolarHBondContact O-CA 3.28Å
236R94.2Very high86Confident55 Ų5591.8 Ų91.821%0.20846%0.463CS..EExtended strand (participates in β ladder)trans-150.1164.417965.8178.9-172-168.1-0110.5L201 D202 L204 K238L201-R236 WeakPolarHBondContact CA-O 3.37Å; D202-R236 HydrophobicContact CB-CG 4.34Å; D202-R236 PolarHBondContact N-O 3.41Å; D202-R236 PolarHBondContact O-N 3.36Å; L204-R236 HydrophobicContact CD1-CG 3.78Å; R236-K238 PolarHBondContact O-N 3.47Å
237P92.2Very high85.9Confident34 Ų3485.6 Ų85.622%0.22144%0.439CS..EExtended strand (participates in β ladder)trans-55139.6166.3-19.731.2000110S163 K165 L166 E200 M239S163-P237 VanDerWaalsContact CB-CD 3.45Å; S163-P237 WeakPolarHBondContact OG-CD 3.47Å; K165-P237 HydrophobicContact CB-CG 4.21Å; L166-P237 HydrophobicContact CD1-CB 4.37Å; L166-P237 VanDerWaalsContact CD1-CD 3.41Å; L166-P237 HydrophobicContact CD1-CG 3.55Å; L166-P237 HydrophobicContact CG-CG 3.65Å; E200-P237 CarbonylContact O-C 3.41Å; E200-P237 VanDerWaalsContact O-CA 3.31Å; E200-P237 WeakPolarHBondContact O-CA 3.19Å; P237-M239 PolarHBondContact O-N 2.86Å
238K88.7Confident85.5Confident103 Ų10384.3 Ų84.345%0.44844%0.438SS..  trans-57.1131.7169.6-174.4178.6176.1-157.20108.4N199 E200 D202 R236N199-K238 WeakPolarHBondContact O-CD 3.45Å; E200-K238 PolarHBondContact O-N 3.12Å; D202-K238 WeakPolarHBondContact OD2-CA 3.23Å; R236-K238 PolarHBondContact O-N 3.47Å
239M80.9Confident85.2Confident127 Ų12776.5 Ų76.563%0.62641%0.409SS*.  trans-96.4115.9171.9-61.7-155.1-59.900107.7P237 L241P237-M239 PolarHBondContact O-N 2.86Å; M239-L241 PolarHBondContact O-N 3Å
240D72.9Confident85Confident127 Ų12775.8 Ų75.868%0.67939%0.386SS*.  trans-70.9121.9165.8-63.9-41.4000107.2L242D240-L242 PolarHBondContact O-N 3.36Å; D240-L242 VanDerWaalsContact O-N 3.14Å
241L58.4Low84.2Confident176 Ų17679.4 Ų79.492%0.92140%0.401SS*.  trans-67.2108.2168.1-74.9150.8000106.2M239M239-L241 PolarHBondContact O-N 3Å
242L39.1Very low83.1Confident241 Ų24186.3 Ų86.3100%1.26244%0.436SS*.  trans-63.40164.3-76.2164.7000110.2D240D240-L242 PolarHBondContact O-N 3.36Å; D240-L242 VanDerWaalsContact O-N 3.14Å

Retrieved 242 of 242 residues in 619.1 ms (Link to these results)

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