ACL6A_HUMAN Loading...

Actin-like protein 6A

Involved in transcriptional activation and repression of select genes by chromatin remodeling (alteration of DNA-nucleosome topology). Component of SWI/SNF chromatin remodeling complexes that carry out key enzymatic activities, changing chromatin structure by altering DNA-histone contacts within a nucleosome in an ATP-dependent manner. Required for maximal ATPase activity of SMARCA4/BRG1/BAF190A and for association of the SMARCA4/BRG1/BAF190A containing remodeling complex BAF with chromatin/nuclear matrix. Belongs to the neural progenitors-specific chromatin remodeling complex (npBAF complex) and is required for the proliferation of neural progenitors. During neural development a switch from a stem/progenitor to a postmitotic chromatin remodeling mechanism occurs as neurons exit the cell cycle and become committed to their adult state. The transition from proliferating neural stem/progenitor cells to postmitotic neurons requires a switch in subunit composition of the npBAF and nBAF complexes. As neural progenitors exit mitosis and differentiate into neurons, npBAF complexes which contain ACTL6A/BAF53A and PHF10/BAF45A, are exchanged for homologous alternative ACTL6B/BAF53B and DPF1/BAF45B or DPF3/BAF45C subunits in neuron-specific complexes (nBAF). The npBAF complex is essential for the self-renewal/proliferative capacity of the multipotent neural stem cells. The nBAF complex along with CREST plays a role regulating the activity of genes essential for dendrite growth (By similarity). Component of the NuA4 histone acetyltransferase (HAT) complex which is involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. This modification may both alter nucleosome - DNA interactions and promote interaction of the modified histones with other proteins which positively regulate transcription. This complex may be required for the activation of transcriptional programs associated with oncogene and proto-oncogene mediated growth induction, tumor suppressor mediated growth arrest and replicative senescence, apoptosis, and DNA repair. NuA4 may also play a direct role in DNA repair when recruited to sites of DNA damage. Putative core component of the chromatin remodeling INO80 complex which is involved in transcriptional regulation, DNA replication and probably DNA repair.

AlphaFold DB , UniProt , Accession O96019, Species HUMAN (Homo sapiens, Human), Gene ACTL6A, Length 429 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
1M28.5Very low42.9Very low239 Ų239107.9 Ų107.9100%1.17768%0.677SS**  01280-80.1-127.8-77.600107.7
2S36.5Very low46.5Very low101 Ų101101.8 Ų101.871%0.70665%0.65SS**  trans57.587.6172.61770000114.9G4S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 VanDerWaalsContact O-N 3.14Å
3G41.5Very low50.3Low68 Ų6893.9 Ų93.970%0.70160%0.6SS**  trans-50122.3151.700000106.9V5G3-V5 PolarHBondContact O-N 3.41Å
4G42.5Very low53.6Low57 Ų5787.3 Ų87.359%0.58856%0.558SS**  trans-48.1109.7-170.800000109.3S2 Y6S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 VanDerWaalsContact O-N 3.14Å; G4-Y6 PolarHBondContact O-N 2.84Å
5V40.9Very low56.6Low129 Ų12981.5 Ų81.578%0.78252%0.521SS*.  trans-63.898.9164.6-179.60000103.5G3 G7G3-V5 PolarHBondContact O-N 3.41Å; V5-G7 PolarHBondContact O-N 3.03Å
6Y44.5Very low59.2Low103 Ų10376.4 Ų76.440%0.40449%0.488SS..  trans-63.985.5172.9-90.9-89.7000107G4 V11 P119 P147G4-Y6 PolarHBondContact O-N 2.84Å; Y6-V11 HydrophobicContact CD1-CG1 4.17Å; Y6-V11 HydrophobicContact CD1-CG2 4.04Å; Y6-V11 HydrophobicContact CE1-CG1 4.2Å; Y6-P119 HydrophobicContact CE1-CG 3.69Å; Y6-P147 HydrophobicContact CE2-CB 4.47Å; Y6-P147 VanDerWaalsContact OH-CB 3.26Å; Y6-P147 WeakPolarHBondContact OH-CB 3.06Å; Y6-P147 WeakPolarHBondContact OH-CG 3.29Å
7G41.2Very low61.5Low71 Ų7172.2 Ų72.273%0.73246%0.461SS*.  trans-134.625.8-170.600000113.1V5V5-G7 PolarHBondContact O-N 3.03Å
8G38.8Very low63.5Low47 Ų4769.2 Ų69.249%0.48544%0.44SS..SBendtrans-114.6140.5170.900000110.4E10G8-E10 PolarHBondContact O-N 2.79Å
9D45.9Very low65.2Low167 Ų16766.8 Ų66.889%0.89343%0.43SS*.SBendtrans-56.2-10.2173.7-76-33.4000113.6
10E51.9Low66.7Low187 Ų18765 Ų6587%0.87442%0.419SS*.  trans-103.156.7178.8-62.2-174.4169.700112.4G8 G12G8-E10 PolarHBondContact O-N 2.79Å; E10-G12 PolarHBondContact O-N 2.85Å
11V59.9Low68.1Low18 Ų1866.9 Ų66.911%0.10942%0.419CS..  trans-74.8101.9166.1-1740000107.5Y6 A13 P119Y6-V11 HydrophobicContact CD1-CG1 4.17Å; Y6-V11 HydrophobicContact CD1-CG2 4.04Å; Y6-V11 HydrophobicContact CE1-CG1 4.2Å; V11-A13 HydrophobicContact CG1-CB 4.03Å; V11-A13 PolarHBondContact O-N 3.28Å; V11-P119 HydrophobicContact CG1-CB 4.44Å; V11-P119 HydrophobicContact CG1-CG 3.75Å
12G86Confident71.4Confident34 Ų3455.8 Ų55.835%0.35137%0.365SS..  trans-67.550.1171.800000112.4E10 H118E10-G12 PolarHBondContact O-N 2.85Å; G12-H118 PolarHBondContact O-ND1 3.04Å
13A95.4Very high74.3Confident0 Ų051 Ų510%033%0.331CS..  trans-66.7143.1177.200000109.9V11 Y27 A28 P119 A401 W410V11-A13 HydrophobicContact CG1-CB 4.03Å; V11-A13 PolarHBondContact O-N 3.28Å; A13-Y27 WeakPolarHBondContact O-CA 3.48Å; A13-A28 HydrophobicContact CB-CB 4.08Å; A13-A28 PolarHBondContact O-N 3.35Å; A13-P119 CarbonylContact C-O 3.59Å; A13-P119 VanDerWaalsContact CA-O 3.25Å; A13-P119 WeakPolarHBondContact CA-O 3.37Å; A13-P119 HydrophobicContact CB-CB 4.14Å; A13-A401 HydrophobicContact CB-CB 4.22Å; A13-W410 HydrophobicContact CB-CH2 4.14Å; A13-W410 HydrophobicContact CB-CZ2 4.05Å
14L97.3Very high77Confident1 Ų149 Ų491%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-99138.4172.7-68.2167.2000109.6F16 G26 Y27 Y107 V111 H118 P119 V120 L121L14-F16 HydrophobicContact CB-CD2 4.15Å; L14-F16 HydrophobicContact CB-CE2 3.65Å; L14-F16 HydrophobicContact CD1-CE2 4.17Å; L14-G26 WeakPolarHBondContact CA-O 3.46Å; L14-Y27 HydrophobicContact CD2-CD1 3.69Å; L14-Y27 HydrophobicContact CD2-CD2 4.49Å; L14-Y27 HydrophobicContact CD2-CE1 3.58Å; L14-Y27 HydrophobicContact CD2-CE2 4.4Å; L14-Y27 HydrophobicContact CD2-CG 4.16Å; L14-Y27 HydrophobicContact CG-CD1 4.47Å; L14-Y27 HydrophobicContact CG-CE1 4.34Å; L14-Y107 HydrophobicContact CD1-CD1 4.42Å; L14-Y107 HydrophobicContact CD1-CE1 3.58Å; L14-V111 HydrophobicContact CD1-CG1 3.83Å; L14-V111 HydrophobicContact CD1-CG2 4.27Å; L14-V111 HydrophobicContact CD2-CG1 4.01Å; L14-V111 HydrophobicContact CD2-CG2 4.22Å; L14-H118 HydrophobicContact CD1-CB 3.69Å; L14-H118 HydrophobicContact CG-CB 3.92Å; L14-P119 PolarHBondContact N-O 2.69Å; L14-V120 HydrophobicContact CB-CG2 4.47Å; L14-V120 WeakPolarHBondContact O-CA 3.49Å; L14-L121 PolarHBondContact O-N 2.9Å
15V98.2Very high79.6Confident1 Ų146.3 Ų46.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-110.5120.5176.2-179.50000108.5A25 G26 A28 L121 W394 A401V15-A25 VanDerWaalsContact O-CA 3.24Å; V15-A25 WeakPolarHBondContact O-CA 3.39Å; V15-G26 PolarHBondContact N-O 3.28Å; V15-G26 PolarHBondContact O-N 3.24Å; V15-A28 HydrophobicContact CG2-CB 4.17Å; V15-L121 CarbonylContact C-O 3.48Å; V15-L121 WeakPolarHBondContact CA-O 3.41Å; V15-L121 HydrophobicContact CG1-CD2 4.09Å; V15-L121 HydrophobicContact CG2-CB 4.46Å; V15-W394 HydrophobicContact CB-CZ2 4.48Å; V15-W394 HydrophobicContact CG1-CG 4.31Å; V15-W394 PolarHBondContact O-NE1 3.29Å; V15-A401 HydrophobicContact CG2-CB 4.18Å
16F98.4Very high82.3Confident0 Ų040.2 Ų40.20%024%0.238CC..EExtended strand (participates in β ladder)trans-110.8119.1176.3-73.4-103.4000110.1L14 A25 L103 T106 Y107 V120 L121 M122 S123L14-F16 HydrophobicContact CB-CD2 4.15Å; L14-F16 HydrophobicContact CB-CE2 3.65Å; L14-F16 HydrophobicContact CD1-CE2 4.17Å; F16-A25 HydrophobicContact CD1-CB 3.85Å; F16-A25 HydrophobicContact CE1-CB 3.94Å; F16-A25 HydrophobicContact CG-CB 4.3Å; F16-A25 HydrophobicContact CZ-CB 4.46Å; F16-L103 HydrophobicContact CD1-CD2 3.83Å; F16-L103 HydrophobicContact CE1-CD2 3.85Å; F16-T106 HydrophobicContact CD1-CG2 4.39Å; F16-T106 HydrophobicContact CE1-CG2 3.6Å; F16-T106 HydrophobicContact CZ-CG2 4.29Å; F16-Y107 HydrophobicContact CE1-CE2 4.47Å; F16-Y107 HydrophobicContact CE2-CE2 4.5Å; F16-Y107 HydrophobicContact CZ-CD2 4.39Å; F16-Y107 HydrophobicContact CZ-CE1 4.11Å; F16-Y107 AromaticContact CZ-CE2 3.79Å; F16-Y107 HydrophobicContact CZ-CE2 3.79Å; F16-Y107 AromaticContact CZ-CZ 3.64Å; F16-V120 HydrophobicContact CD2-CG1 3.67Å; F16-V120 HydrophobicContact CE2-CG1 4.09Å; F16-V120 HydrophobicContact CE2-CG2 4.32Å; F16-L121 PolarHBondContact N-O 3.2Å; F16-M122 HydrophobicContact CB-CB 4.42Å; F16-M122 HydrophobicContact CB-CE 3.88Å; F16-M122 HydrophobicContact CB-CG 3.94Å; F16-M122 HydrophobicContact CG-CE 4.14Å; F16-M122 CarbonylContact O-C 3.59Å; F16-M122 WeakPolarHBondContact O-CA 3.43Å; F16-S123 PolarHBondContact O-N 3.33Å
17D97.9Very high84.7Confident5 Ų537.9 Ų37.93%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-117.799.4172.9175.228.5000109.1R24 S123 S393 W394D17-R24 HydrophobicContact CB-CB 4.25Å; D17-R24 PolarHBondContact N-O 3.48Å; D17-R24 PolarHBondContact O-N 3.15Å; D17-R24 IonicContact OD2-CZ 2.6Å; D17-R24 IonicContact OD2-NH1 2.71Å; D17-R24 PolarHBondContact OD2-NH1 2.97Å; D17-S123 WeakPolarHBondContact CA-OG 3.28Å; D17-S123 PolarHBondContact OD1-OG 2.91Å; D17-S123 VanDerWaalsContact OD1-OG 3.1Å; D17-S393 PolarHBondContact OD1-OG 3.22Å; D17-S393 PolarHBondContact OD2-OG 3.14Å; D17-W394 HydrophobicContact CB-CB 3.78Å; D17-W394 HydrophobicContact CB-CG 4.24Å; D17-W394 PolarHBondContact OD2-N 3.26Å
18I97Very high87.3Confident17 Ų1735.3 Ų35.39%0.08720%0.201CC..EExtended strand (participates in β ladder)trans-106.688.1-172.9-52.9-178.5000108.7V23 T39 L88 F99 L103 M122I18-V23 HydrophobicContact CG1-CG1 4.3Å; I18-V23 HydrophobicContact CG2-CG2 3.94Å; I18-T39 HydrophobicContact CG2-CG2 4.37Å; I18-L88 HydrophobicContact CG2-CD1 4.18Å; I18-L88 WeakPolarHBondContact O-CD1 3.27Å; I18-F99 HydrophobicContact CB-CE2 4.33Å; I18-F99 HydrophobicContact CD1-CE2 3.53Å; I18-F99 HydrophobicContact CD1-CZ 3.65Å; I18-F99 HydrophobicContact CG2-CE2 4Å; I18-L103 HydrophobicContact CD1-CD2 3.79Å; I18-M122 HydrophobicContact CD1-SD 4.42Å
19G95.8Very high89.9Confident24 Ų2435.5 Ų35.525%0.24720%0.203CC..  trans-86.2170178.500000112.7Y21 T22 T39 L88G19-Y21 PolarHBondContact O-N 3.21Å; G19-T22 PolarHBondContact N-O 2.95Å; G19-T39 WeakPolarHBondContact O-CB 3.26Å; G19-T39 WeakPolarHBondContact O-CG2 3.4Å; G19-T39 PolarHBondContact O-OG1 3.13Å; G19-L88 VanDerWaalsContact C-CD1 3.45Å; G19-L88 VanDerWaalsContact O-CD1 3.26Å; G19-L88 WeakPolarHBondContact O-CD1 3.49Å
20S95.8Very high92.1Very high30 Ų3031.3 Ų31.321%0.2118%0.178CC..SBendtrans-64.5-21179.6-57.40000114.9T175S20-T175 PolarHBondContact OG-OG1 3.43Å
21Y96.2Very high93.9Very high106 Ų10629.4 Ų29.442%0.41617%0.174SC..SBendtrans-105.4-44.8-178.7-178.4-115.7000112.9G19 P38 T39 A174 Q260G19-Y21 PolarHBondContact O-N 3.21Å; Y21-P38 WeakPolarHBondContact O-CA 3.33Å; Y21-T39 PolarHBondContact O-N 3.37Å; Y21-A174 HydrophobicContact CG-CB 4.5Å; Y21-Q260 PolarHBondContact OH-OE1 3.26Å
22T96.9Very high95.5Very high6 Ų631.4 Ų31.44%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-133.3142-176.154.70000111.8G19 R24 D36 F37 T39 R390G19-T22 PolarHBondContact N-O 2.95Å; T22-R24 PolarHBondContact OG1-NE 3.33Å; T22-R24 PolarHBondContact OG1-NH2 2.92Å; T22-R24 VanDerWaalsContact OG1-NH2 3.11Å; T22-D36 VanDerWaalsContact CB-OD1 3.27Å; T22-D36 WeakPolarHBondContact CB-OD1 3.48Å; T22-D36 WeakPolarHBondContact CG2-OD1 3.24Å; T22-F37 CarbonylContact C-O 3.57Å; T22-F37 WeakPolarHBondContact CA-O 3.16Å; T22-T39 WeakPolarHBondContact CA-OG1 3.49Å; T22-T39 PolarHBondContact N-OG1 3.04Å; T22-T39 VanDerWaalsContact N-OG1 3.14Å; T22-T39 PolarHBondContact O-OG1 2.96Å; T22-R390 VanDerWaalsContact CG2-NH2 3.26Å
23V98Very high95.9Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-90.1131.2164.7174.80000108.1I18 D36 F37 T39 I102I18-V23 HydrophobicContact CG1-CG1 4.3Å; I18-V23 HydrophobicContact CG2-CG2 3.94Å; V23-D36 WeakPolarHBondContact O-CA 3.45Å; V23-F37 HydrophobicContact CB-CD1 4.17Å; V23-F37 HydrophobicContact CB-CD2 4.27Å; V23-F37 HydrophobicContact CB-CE1 3.81Å; V23-F37 HydrophobicContact CB-CE2 3.88Å; V23-F37 HydrophobicContact CB-CG 4.41Å; V23-F37 HydrophobicContact CB-CZ 3.66Å; V23-F37 HydrophobicContact CG1-CD1 4.29Å; V23-F37 HydrophobicContact CG1-CE1 3.54Å; V23-F37 HydrophobicContact CG1-CE2 4.24Å; V23-F37 HydrophobicContact CG1-CZ 3.51Å; V23-F37 HydrophobicContact CG2-CE2 3.91Å; V23-F37 HydrophobicContact CG2-CZ 4.02Å; V23-F37 PolarHBondContact N-O 3.06Å; V23-F37 PolarHBondContact O-N 2.98Å; V23-T39 HydrophobicContact CG2-CG2 4.28Å; V23-T39 PolarHBondContact N-OG1 2.84Å; V23-I102 HydrophobicContact CB-CG2 4.41Å; V23-I102 HydrophobicContact CG1-CG2 4.06Å; V23-I102 HydrophobicContact CG2-CD1 4.29Å; V23-I102 HydrophobicContact CG2-CG2 3.58Å
24R97.7Very high95.9Very high25 Ų2535.3 Ų35.39%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-126.9133.7174.2-59.7160.8-157.4156.2-5109.7D17 T22 P33 V35 D36 R390 F391 W394D17-R24 HydrophobicContact CB-CB 4.25Å; D17-R24 PolarHBondContact N-O 3.48Å; D17-R24 PolarHBondContact O-N 3.15Å; D17-R24 IonicContact OD2-CZ 2.6Å; D17-R24 IonicContact OD2-NH1 2.71Å; D17-R24 PolarHBondContact OD2-NH1 2.97Å; T22-R24 PolarHBondContact OG1-NE 3.33Å; T22-R24 PolarHBondContact OG1-NH2 2.92Å; T22-R24 VanDerWaalsContact OG1-NH2 3.11Å; R24-P33 HydrophobicContact CB-CB 4.01Å; R24-P33 HydrophobicContact CB-CG 4.24Å; R24-P33 HydrophobicContact CG-CG 4.37Å; R24-V35 VanDerWaalsContact CA-O 3.27Å; R24-V35 WeakPolarHBondContact CA-O 3.27Å; R24-D36 HydrophobicContact CG-CB 4.36Å; R24-R390 PolarHBondContact NH1-O 2.9Å; R24-R390 PolarHBondContact NH2-O 3.26Å; R24-F391 HydrophobicContact CG-CD1 4.44Å; R24-F391 VanDerWaalsContact NE-CD1 3.34Å; R24-W394 HydrophobicContact CB-CG 4.29Å
25A97.9Very high95.8Very high1 Ų136 Ų361%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-145.2149.2174.600000111.4V15 F16 K34 V35 T106V15-A25 VanDerWaalsContact O-CA 3.24Å; V15-A25 WeakPolarHBondContact O-CA 3.39Å; F16-A25 HydrophobicContact CD1-CB 3.85Å; F16-A25 HydrophobicContact CE1-CB 3.94Å; F16-A25 HydrophobicContact CG-CB 4.3Å; F16-A25 HydrophobicContact CZ-CB 4.46Å; A25-K34 WeakPolarHBondContact O-CA 3.4Å; A25-K34 WeakPolarHBondContact O-CB 3.45Å; A25-K34 PolarHBondContact O-N 3.01Å; A25-V35 HydrophobicContact CB-CG1 3.96Å; A25-V35 PolarHBondContact N-O 3.43Å; A25-V35 VanDerWaalsContact N-O 3.15Å; A25-V35 PolarHBondContact O-N 2.91Å; A25-T106 HydrophobicContact CB-CG2 3.55Å
26G96.8Very high95.8Very high1 Ų138.5 Ų38.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-178.7-176.3178.900000111.9L14 V15L14-G26 WeakPolarHBondContact CA-O 3.46Å; V15-G26 PolarHBondContact N-O 3.28Å; V15-G26 PolarHBondContact O-N 3.24Å
27Y96.1Very high95.7Very high54 Ų5438.6 Ų38.621%0.21222%0.215CC..EExtended strand (participates in β ladder)trans-85.7146.5179.1-67.6-83.6000111.1A13 L14 E30 K34 H118A13-Y27 WeakPolarHBondContact O-CA 3.48Å; L14-Y27 HydrophobicContact CD2-CD1 3.69Å; L14-Y27 HydrophobicContact CD2-CD2 4.49Å; L14-Y27 HydrophobicContact CD2-CE1 3.58Å; L14-Y27 HydrophobicContact CD2-CE2 4.4Å; L14-Y27 HydrophobicContact CD2-CG 4.16Å; L14-Y27 HydrophobicContact CG-CD1 4.47Å; L14-Y27 HydrophobicContact CG-CE1 4.34Å; Y27-E30 PolarHBondContact N-OE2 3.01Å; Y27-E30 VanDerWaalsContact N-OE2 3.12Å; Y27-E30 WeakPolarHBondContact O-CB 3.32Å; Y27-E30 PolarHBondContact O-N 3.29Å; Y27-K34 HydrophobicContact CE2-CD 4.2Å; Y27-H118 AromaticContact CE1-CE1 3.9Å
28A95.3Very high95.7Very high18 Ų1839.2 Ų39.215%0.14922%0.219CC..THydrogen-bonded Turntrans-61.9143169.800000110.7A13 V15 E30 A401A13-A28 HydrophobicContact CB-CB 4.08Å; A13-A28 PolarHBondContact O-N 3.35Å; V15-A28 HydrophobicContact CG2-CB 4.17Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-A401 HydrophobicContact CB-CB 3.58Å
29G93Very high95.8Very high51 Ų5138.4 Ų38.453%0.52622%0.215SC..THydrogen-bonded Turntrans86.5-6.8-17600000114.6S398G29-S398 PolarHBondContact N-O 3.03Å; G29-S398 PolarHBondContact N-OG 3.27Å
30E92.9Very high95.9Very high79 Ų7938 Ų3837%0.36921%0.21SC..  trans-84.2145171.4-63.8179.6154.900111.1Y27 A28 C32 W394 S398Y27-E30 PolarHBondContact N-OE2 3.01Å; Y27-E30 VanDerWaalsContact N-OE2 3.12Å; Y27-E30 WeakPolarHBondContact O-CB 3.32Å; Y27-E30 PolarHBondContact O-N 3.29Å; A28-E30 VanDerWaalsContact C-N 3.32Å; E30-C32 VanDerWaalsContact C-N 3.29Å; E30-C32 PolarHBondContact O-N 3.09Å; E30-W394 HydrophobicContact CB-CH2 4.1Å; E30-W394 WeakPolarHBondContact O-CH2 2.98Å; E30-W394 WeakPolarHBondContact O-CZ3 3.47Å; E30-S398 PolarHBondContact N-OG 2.61Å; E30-S398 PolarHBondContact O-OG 3.43Å
31D90.4Very high96Very high146 Ų14636.6 Ų36.678%0.78120%0.2SC*.SBendtrans-73.8-19.1-179.5-65.9-39.8000113.4
32C91.6Very high96.1Very high60 Ų6031.6 Ų31.641%0.40518%0.18SC..SBendtrans-143.4150.2-176.7-70.10000110.5E30 V387 W394E30-C32 VanDerWaalsContact C-N 3.29Å; E30-C32 PolarHBondContact O-N 3.09Å; C32-V387 VanDerWaalsContact SG-CG1 3.59Å; C32-W394 WeakPolarHBondContact O-CH2 3.49Å
33P95.7Very high96.1Very high17 Ų1733.1 Ų33.111%0.1119%0.187CC..  trans-64.5142.6175.428.3-34.3000110.9R24 V35 F391 W394R24-P33 HydrophobicContact CB-CB 4.01Å; R24-P33 HydrophobicContact CB-CG 4.24Å; R24-P33 HydrophobicContact CG-CG 4.37Å; P33-V35 PolarHBondContact O-N 3.47Å; P33-F391 HydrophobicContact CG-CD2 3.89Å; P33-F391 HydrophobicContact CG-CE2 4Å; P33-F391 HydrophobicContact CG-CG 4.27Å; P33-F391 HydrophobicContact CG-CZ 4.42Å; P33-W394 HydrophobicContact CB-CD2 3.74Å; P33-W394 HydrophobicContact CB-CE3 4.18Å; P33-W394 HydrophobicContact CB-CG 4.16Å; P33-W394 HydrophobicContact CB-CH2 4.47Å; P33-W394 HydrophobicContact CB-CZ2 4.06Å; P33-W394 HydrophobicContact CG-CD2 4.28Å; P33-W394 HydrophobicContact CG-CE3 4.39Å; P33-W394 VanDerWaalsContact N-CZ3 3.32Å
34K95.1Very high96Very high100 Ų10033.9 Ų33.944%0.43519%0.192SC..SBendtrans-62.3-29.4173.8-171.6177.8-172.3-174.20112.3A25 Y27 H110 V111A25-K34 WeakPolarHBondContact O-CA 3.4Å; A25-K34 WeakPolarHBondContact O-CB 3.45Å; A25-K34 PolarHBondContact O-N 3.01Å; Y27-K34 HydrophobicContact CE2-CD 4.2Å; K34-H110 WeakPolarHBondContact CE-O 3.29Å; K34-H110 PolarHBondContact NZ-O 3.12Å; K34-V111 PolarHBondContact NZ-O 2.98Å
35V96.2Very high95.5Very high15 Ų1537 Ų379%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-141.1144.5176.671.80000111.7R24 A25 P33 F37 T106 H110R24-V35 VanDerWaalsContact CA-O 3.27Å; R24-V35 WeakPolarHBondContact CA-O 3.27Å; A25-V35 HydrophobicContact CB-CG1 3.96Å; A25-V35 PolarHBondContact N-O 3.43Å; A25-V35 VanDerWaalsContact N-O 3.15Å; A25-V35 PolarHBondContact O-N 2.91Å; P33-V35 PolarHBondContact O-N 3.47Å; V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 4.16Å; V35-F37 HydrophobicContact CG2-CD1 3.61Å; V35-F37 HydrophobicContact CG2-CE1 4.26Å; V35-T106 HydrophobicContact CG1-CG2 4.28Å; V35-H110 HydrophobicContact CB-CB 3.86Å; V35-H110 HydrophobicContact CG1-CB 3.92Å; V35-H110 HydrophobicContact CG2-CB 4.14Å; V35-H110 WeakPolarHBondContact CG2-CE1 3.23Å; V35-H110 VanDerWaalsContact CG2-CG 3.41Å; V35-H110 VanDerWaalsContact CG2-ND1 3.27Å; V35-H110 WeakPolarHBondContact CG2-ND1 3.41Å
36D96.2Very high94.5Very high53 Ų5341.1 Ų41.128%0.28323%0.232SC..EExtended strand (participates in β ladder)trans-140.4108.6171.6167.445.6000108.2T22 V23 R24 R390 F391T22-D36 VanDerWaalsContact CB-OD1 3.27Å; T22-D36 WeakPolarHBondContact CB-OD1 3.48Å; T22-D36 WeakPolarHBondContact CG2-OD1 3.24Å; V23-D36 WeakPolarHBondContact O-CA 3.45Å; R24-D36 HydrophobicContact CG-CB 4.36Å; D36-R390 IonicContact OD1-CZ 3.81Å; D36-R390 IonicContact OD1-NH2 3.6Å; D36-R390 PolarHBondContact OD1-NH2 3.27Å; D36-R390 IonicContact OD2-CZ 2.66Å; D36-R390 IonicContact OD2-NH1 3.46Å; D36-R390 PolarHBondContact OD2-NH1 3.44Å; D36-R390 VanDerWaalsContact OD2-NH1 3.14Å; D36-R390 IonicContact OD2-NH2 3.85Å; D36-R390 PolarHBondContact OD2-NH2 3.45Å; D36-F391 HydrophobicContact CB-CE1 4.5Å; D36-F391 HydrophobicContact CB-CZ 4.27Å
37F97.6Very high92.8Very high2 Ų249.2 Ų49.21%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-138.8163-178.768.1-89.7000111.6T22 V23 V35 I70 D71 I102 T106T22-F37 CarbonylContact C-O 3.57Å; T22-F37 WeakPolarHBondContact CA-O 3.16Å; V23-F37 HydrophobicContact CB-CD1 4.17Å; V23-F37 HydrophobicContact CB-CD2 4.27Å; V23-F37 HydrophobicContact CB-CE1 3.81Å; V23-F37 HydrophobicContact CB-CE2 3.88Å; V23-F37 HydrophobicContact CB-CG 4.41Å; V23-F37 HydrophobicContact CB-CZ 3.66Å; V23-F37 HydrophobicContact CG1-CD1 4.29Å; V23-F37 HydrophobicContact CG1-CE1 3.54Å; V23-F37 HydrophobicContact CG1-CE2 4.24Å; V23-F37 HydrophobicContact CG1-CZ 3.51Å; V23-F37 HydrophobicContact CG2-CE2 3.91Å; V23-F37 HydrophobicContact CG2-CZ 4.02Å; V23-F37 PolarHBondContact N-O 3.06Å; V23-F37 PolarHBondContact O-N 2.98Å; V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 4.16Å; V35-F37 HydrophobicContact CG2-CD1 3.61Å; V35-F37 HydrophobicContact CG2-CE1 4.26Å; F37-I70 HydrophobicContact CD2-CG2 4.18Å; F37-I70 HydrophobicContact CE2-CG2 3.52Å; F37-I70 HydrophobicContact CZ-CG2 4.2Å; F37-D71 HydrophobicContact CB-CB 4.36Å; F37-D71 VanDerWaalsContact CB-OD1 3.31Å; F37-D71 WeakPolarHBondContact CB-OD1 3.26Å; F37-D71 HydrophobicContact CD2-CB 4.42Å; F37-D71 HydrophobicContact CG-CB 4.45Å; F37-I102 HydrophobicContact CE2-CG2 4.18Å; F37-I102 HydrophobicContact CZ-CG2 3.92Å; F37-T106 WeakPolarHBondContact CZ-OG1 3.41Å
38P98Very high90.9Very high18 Ų1854.9 Ų54.912%0.11730%0.297CS..EExtended strand (participates in β ladder)trans-60.3139.4-178.5-24.434.8000113.2Y21 A40 T72 L75Y21-P38 WeakPolarHBondContact O-CA 3.33Å; P38-A40 PolarHBondContact O-N 3.1Å; P38-T72 WeakPolarHBondContact CD-OG1 3.47Å; P38-L75 HydrophobicContact CB-CD2 4.23Å
39T97.9Very high88.8Confident0 Ų059.5 Ų59.50%032%0.319CS..SBendtrans-73.1-21.6170.9-50.80000112.2I18 G19 Y21 T22 V23 P87 L88 I102I18-T39 HydrophobicContact CG2-CG2 4.37Å; G19-T39 WeakPolarHBondContact O-CB 3.26Å; G19-T39 WeakPolarHBondContact O-CG2 3.4Å; G19-T39 PolarHBondContact O-OG1 3.13Å; Y21-T39 PolarHBondContact O-N 3.37Å; T22-T39 WeakPolarHBondContact CA-OG1 3.49Å; T22-T39 PolarHBondContact N-OG1 3.04Å; T22-T39 VanDerWaalsContact N-OG1 3.14Å; T22-T39 PolarHBondContact O-OG1 2.96Å; V23-T39 HydrophobicContact CG2-CG2 4.28Å; V23-T39 PolarHBondContact N-OG1 2.84Å; T39-P87 HydrophobicContact CG2-CG 4.24Å; T39-P87 WeakPolarHBondContact O-CD 3.45Å; T39-L88 HydrophobicContact CG2-CD1 3.91Å; T39-L88 HydrophobicContact CG2-CG 4.19Å; T39-I102 HydrophobicContact CG2-CD1 4.28Å; T39-I102 WeakPolarHBondContact O-CD1 3.39Å
40A98Very high86.6Confident17 Ų1760.3 Ų60.314%0.1433%0.327CS..  trans-66.4141.5169.900000110.3P38 L75 I85 Y253P38-A40 PolarHBondContact O-N 3.1Å; A40-L75 HydrophobicContact CB-CD2 4.27Å; A40-L75 VanDerWaalsContact O-CD2 3.29Å; A40-L75 WeakPolarHBondContact O-CD2 3.39Å; A40-I85 CarbonylContact C-O 3.53Å; A40-I85 WeakPolarHBondContact CA-O 3.27Å; A40-Y253 HydrophobicContact CB-CD2 4.05Å; A40-Y253 HydrophobicContact CB-CE2 3.68Å
41I98.1Very high84.1Confident0 Ų060.8 Ų60.80%034%0.339CS..EExtended strand (participates in β ladder)trans-131.4153.4179.267.6175000110.3Y68 I70 A84 I85 I102I41-Y68 HydrophobicContact CD1-CD1 3.57Å; I41-Y68 HydrophobicContact CD1-CE1 3.99Å; I41-Y68 HydrophobicContact CD1-CG 4.43Å; I41-I70 HydrophobicContact CB-CG1 4.1Å; I41-I70 HydrophobicContact CG2-CB 4.42Å; I41-I70 HydrophobicContact CG2-CD1 4.48Å; I41-I70 HydrophobicContact CG2-CG1 3.78Å; I41-I70 HydrophobicContact CG2-CG2 4.26Å; I41-A84 WeakPolarHBondContact O-CA 3.3Å; I41-I85 HydrophobicContact CD1-CD1 4.38Å; I41-I85 HydrophobicContact CD1-CG1 4.35Å; I41-I85 HydrophobicContact CG1-CD1 4.24Å; I41-I85 HydrophobicContact CG1-CG1 3.69Å; I41-I85 PolarHBondContact N-O 2.73Å; I41-I85 PolarHBondContact O-N 3.48Å; I41-I102 HydrophobicContact CG2-CD1 3.77Å; I41-I102 HydrophobicContact CG2-CG1 3.66Å
42G98.1Very high82.1Confident0 Ų057.4 Ų57.40%032%0.324CS..EExtended strand (participates in β ladder)trans-87.2133.1171.600000109.2Y68 Y69 E83G42-Y68 CarbonylContact O-C 3.58Å; G42-Y68 WeakPolarHBondContact O-CA 3.41Å; G42-Y69 PolarHBondContact N-O 3.13Å; G42-Y69 PolarHBondContact O-N 2.9Å; G42-E83 CarbonylContact C-O 3.59Å; G42-E83 WeakPolarHBondContact CA-O 3.15Å
43M96.9Very high79.5Confident39 Ų3962.2 Ų62.219%0.19235%0.345CS..EExtended strand (participates in β ladder)trans-128126.7177.4-174.8-178.568.500109.8V45 P66 T67 Y68 M82 E83 I85M43-V45 HydrophobicContact CE-CG2 4.15Å; M43-P66 HydrophobicContact CG-CB 3.79Å; M43-P66 HydrophobicContact SD-CB 4.03Å; M43-T67 WeakPolarHBondContact CA-O 3.23Å; M43-Y68 HydrophobicContact CB-CD1 4.34Å; M43-Y68 HydrophobicContact CB-CE1 4.47Å; M43-Y68 HydrophobicContact CG-CD1 4.19Å; M43-Y68 HydrophobicContact CG-CE1 3.97Å; M43-Y68 HydrophobicContact SD-CE1 4.03Å; M43-M82 WeakPolarHBondContact O-CA 3.48Å; M43-E83 PolarHBondContact N-O 2.78Å; M43-E83 PolarHBondContact O-N 3.02Å; M43-I85 HydrophobicContact CB-CD1 3.88Å; M43-I85 HydrophobicContact CB-CG1 4.27Å; M43-I85 HydrophobicContact CE-CD1 3.95Å; M43-I85 HydrophobicContact CG-CD1 4.37Å; M43-I85 HydrophobicContact SD-CD1 3.67Å
44V95.6Very high76.6Confident16 Ų1670 Ų7010%0.09738%0.382CS..EExtended strand (participates in β ladder)trans-116.5122170.3176.20000107.8P66 T67 Y69 M82V44-P66 CarbonylContact O-C 3.57Å; V44-P66 WeakPolarHBondContact O-CA 3.47Å; V44-T67 PolarHBondContact N-O 2.86Å; V44-T67 PolarHBondContact O-N 3.32Å; V44-Y69 HydrophobicContact CB-CE2 4.24Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.66Å; V44-M82 HydrophobicContact CG2-CB 3.54Å; V44-M82 HydrophobicContact CG2-CG 3.94Å
45V87.5Confident74.2Confident91 Ų9173 Ų7355%0.55240%0.397SS*.PPolyproline II helixtrans-91.6119.8173.2-176.30000107.8M43 P66M43-V45 HydrophobicContact CE-CG2 4.15Å; V45-P66 HydrophobicContact CG2-CB 4.49Å
46E76.6Confident71.6Confident86 Ų8679.7 Ų79.740%0.40243%0.431SS..PPolyproline II helixtrans-67134.5171-61.9-161.7133.500109.5T52E46-T52 PolarHBondContact OE1-OG1 3.03Å; E46-T52 VanDerWaalsContact OE1-OG1 3.13Å
47R61.6Low68.8Low171 Ų17183.8 Ų83.865%0.64545%0.453SS*.PPolyproline II helixtrans-88.8139.3172.9-66.2-177.2-178.5176.83108.8D49 G50R47-D49 WeakPolarHBondContact CB-OD1 3.43Å; R47-D49 PolarHBondContact O-N 3.11Å; R47-G50 PolarHBondContact O-N 2.88Å
48D56.4Low65.7Low173 Ų17387.6 Ų87.693%0.92549%0.493SS*.THydrogen-bonded Turntrans-59.7-9.7179.3-74.6-31.7000114.4G50D48-G50 PolarHBondContact O-N 3.05Å
49D51.4Low62.7Low115 Ų11593 Ų9362%0.61552%0.521SS*.THydrogen-bonded Turntrans-81.211.6177.558.3-5.4000114.3R47 S51R47-D49 WeakPolarHBondContact CB-OD1 3.43Å; R47-D49 PolarHBondContact O-N 3.11Å; D49-S51 PolarHBondContact O-N 2.81Å
50G47.2Very low59.6Low68 Ų68103 Ų10370%0.70157%0.565SS**  trans70.813.5164.300000114.7R47 D48 T52R47-G50 PolarHBondContact O-N 2.88Å; D48-G50 PolarHBondContact O-N 3.05Å; G50-T52 PolarHBondContact O-N 3.2Å
51S41.1Very low56.7Low89 Ų89105.8 Ų105.862%0.62260%0.595SS**  trans-95.572.9173.468.70000111.4D49D49-S51 PolarHBondContact O-N 2.81Å
52T46.5Very low54.3Low75 Ų75114.5 Ų114.546%0.4663%0.633SS.*SBendtrans-131141.415526.30000110.1E46 G50E46-T52 PolarHBondContact OE1-OG1 3.03Å; E46-T52 VanDerWaalsContact OE1-OG1 3.13Å; G50-T52 PolarHBondContact O-N 3.2Å
53L38.5Very low51.9Low162 Ų162123.6 Ų123.685%0.84868%0.675SS**  trans-59.9136.9-168.8-83.5122.6000112.8E55L53-E55 PolarHBondContact O-N 2.65Å
54M34.9Very low50.3Low181 Ų181125 Ų12589%0.89270%0.7SS**  trans-35.2113.6175.7-60.2177.5-168.800113.7I56M54-I56 PolarHBondContact O-N 3.32Å
55E43.2Very low49.7Very low161 Ų161125.9 Ų125.975%0.75271%0.712SS**  trans-72.9111.6158.8-72.8-166.6151.600108.9L53 D57L53-E55 PolarHBondContact O-N 2.65Å; E55-D57 PolarHBondContact O-N 3.44Å; E55-D57 VanDerWaalsContact O-N 3.15Å
56I41.8Very low49.9Very low156 Ų156124.1 Ų124.180%0.870%0.702SS**  trans-81.178.5159.4-56174.8000105.9M54M54-I56 PolarHBondContact O-N 3.32Å
57D38.4Very low50.8Low139 Ų139122.7 Ų122.774%0.74370%0.699SS**SBendtrans172.488146.6-88.5-21.1000110.5E55 D59E55-D57 PolarHBondContact O-N 3.44Å; E55-D57 VanDerWaalsContact O-N 3.15Å; D57-D59 PolarHBondContact O-N 3.36Å
58G31.6Very low52.5Low82 Ų82117.5 Ų117.585%0.84568%0.68SS**  69.1-5.2122.800000122.5
59D34.4Very low54.4Low132 Ų132112.2 Ų112.271%0.70665%0.648SS**  trans-11187.7-178.4-133.87.4000113.1D57 G61D57-D59 PolarHBondContact O-N 3.36Å; D59-G61 PolarHBondContact O-N 3.38Å
60K33.1Very low56.7Low211 Ų211107.3 Ų107.392%0.91762%0.621SS**  trans-71.7109.8175.4-68179176.4178.60109.9
61G38.3Very low59Low75 Ų75105.8 Ų105.877%0.77360%0.597SS**  trans141.618.8157.600000119.3D59 Q63D59-G61 PolarHBondContact O-N 3.38Å; G61-Q63 PolarHBondContact O-N 2.87Å
62K46.8Very low61.6Low183 Ų183103.4 Ų103.480%0.79658%0.579SS**  trans-75.4114.2170.9-72.8-178.4-176.9168.10110G64K62-G64 PolarHBondContact O-N 3.19Å
63Q48.1Very low63.9Low191 Ų191106.3 Ų106.389%0.89359%0.591SS**  trans-52.8132166.8-78.3174-18.500109.1G61 G65G61-Q63 PolarHBondContact O-N 2.87Å; Q63-G65 PolarHBondContact O-N 3.21Å
64G63.6Low66.7Low69 Ų6999.9 Ų99.971%0.71156%0.562SS**SBendtrans-52.1109.1-173.400000112.7K62K62-G64 PolarHBondContact O-N 3.19Å
65G82.3Confident69.7Low34 Ų3491.2 Ų91.235%0.35152%0.519SS..  trans-141.9168178.300000110.4Q63Q63-G65 PolarHBondContact O-N 3.21Å
66P91.7Very high72.2Confident54 Ų5488.7 Ų88.735%0.35150%0.503SS..PPolyproline II helixtrans-62.9140.3178.326.5-33.8000111.3M43 V44 V45 Y68M43-P66 HydrophobicContact CG-CB 3.79Å; M43-P66 HydrophobicContact SD-CB 4.03Å; V44-P66 CarbonylContact O-C 3.57Å; V44-P66 WeakPolarHBondContact O-CA 3.47Å; V45-P66 HydrophobicContact CG2-CB 4.49Å; P66-Y68 HydrophobicContact CB-CE1 4.36Å; P66-Y68 HydrophobicContact CB-CE2 4.49Å; P66-Y68 HydrophobicContact CG-CE1 4.34Å; P66-Y68 HydrophobicContact CG-CE2 3.99Å; P66-Y68 WeakPolarHBondContact CG-OH 3.33Å
67T95.5Very high74.8Confident55 Ų5584.4 Ų84.434%0.33748%0.484SS..EExtended strand (participates in β ladder)trans-91.6127.7168.4-64.60000109.7M43 V44 Y69M43-T67 WeakPolarHBondContact CA-O 3.23Å; V44-T67 PolarHBondContact N-O 2.86Å; V44-T67 PolarHBondContact O-N 3.32Å; T67-Y69 HydrophobicContact CG2-CE1 4.35Å; T67-Y69 HydrophobicContact CG2-CE2 3.9Å
68Y97.2Very high77.6Confident63 Ų6379.4 Ų79.425%0.24746%0.459CS..EExtended strand (participates in β ladder)trans-102.5135179.8-58.6-73.2000112.5I41 G42 M43 P66 A101I41-Y68 HydrophobicContact CD1-CD1 3.57Å; I41-Y68 HydrophobicContact CD1-CE1 3.99Å; I41-Y68 HydrophobicContact CD1-CG 4.43Å; G42-Y68 CarbonylContact O-C 3.58Å; G42-Y68 WeakPolarHBondContact O-CA 3.41Å; M43-Y68 HydrophobicContact CB-CD1 4.34Å; M43-Y68 HydrophobicContact CB-CE1 4.47Å; M43-Y68 HydrophobicContact CG-CD1 4.19Å; M43-Y68 HydrophobicContact CG-CE1 3.97Å; M43-Y68 HydrophobicContact SD-CE1 4.03Å; P66-Y68 HydrophobicContact CB-CE1 4.36Å; P66-Y68 HydrophobicContact CB-CE2 4.49Å; P66-Y68 HydrophobicContact CG-CE1 4.34Å; P66-Y68 HydrophobicContact CG-CE2 3.99Å; P66-Y68 WeakPolarHBondContact CG-OH 3.33Å; Y68-A101 HydrophobicContact CD1-CB 4.35Å; Y68-A101 HydrophobicContact CD2-CB 3.46Å; Y68-A101 VanDerWaalsContact CD2-CB 3.46Å; Y68-A101 HydrophobicContact CE2-CB 3.76Å; Y68-A101 HydrophobicContact CG-CB 3.77Å
69Y97.7Very high80.6Confident62 Ų6278.2 Ų78.224%0.24343%0.429CS..EExtended strand (participates in β ladder)trans-115.399.6174.5-60.7-81.1000109G42 V44 T67 R79 M82G42-Y69 PolarHBondContact N-O 3.13Å; G42-Y69 PolarHBondContact O-N 2.9Å; V44-Y69 HydrophobicContact CB-CE2 4.24Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.66Å; T67-Y69 HydrophobicContact CG2-CE1 4.35Å; T67-Y69 HydrophobicContact CG2-CE2 3.9Å; Y69-R79 VanDerWaalsContact CD1-CZ 3.42Å; Y69-R79 VanDerWaalsContact CZ-CD 3.46Å; Y69-M82 HydrophobicContact CD2-CG 4.24Å; Y69-M82 HydrophobicContact CD2-SD 3.51Å; Y69-M82 VanDerWaalsContact CD2-SD 3.51Å; Y69-M82 HydrophobicContact CE2-SD 4.19Å; Y69-M82 HydrophobicContact CG-SD 3.95Å
70I97.9Very high83.5Confident12 Ų1276.9 Ų76.96%0.06242%0.418CS..  trans-111.8150.3-170.1-56.2171.3000109.3F37 I41 A74 A101 I102 H105F37-I70 HydrophobicContact CD2-CG2 4.18Å; F37-I70 HydrophobicContact CE2-CG2 3.52Å; F37-I70 HydrophobicContact CZ-CG2 4.2Å; I41-I70 HydrophobicContact CB-CG1 4.1Å; I41-I70 HydrophobicContact CG2-CB 4.42Å; I41-I70 HydrophobicContact CG2-CD1 4.48Å; I41-I70 HydrophobicContact CG2-CG1 3.78Å; I41-I70 HydrophobicContact CG2-CG2 4.26Å; I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.46Å; I70-A101 HydrophobicContact CD1-CB 3.84Å; I70-A101 WeakPolarHBondContact CD1-O 3.39Å; I70-I102 HydrophobicContact CD1-CG1 4.42Å; I70-H105 HydrophobicContact CB-CB 4.1Å; I70-H105 HydrophobicContact CD1-CB 3.83Å; I70-H105 HydrophobicContact CG2-CB 3.86Å; I70-H105 PolarHBondContact O-CE1 2.75Å
71D96.5Very high86.4Confident35 Ų3570.8 Ų70.819%0.18740%0.396CS..SBendtrans73.6154.3-171.4-166.49.8000113.2F37 N73 A74 L75 H110F37-D71 HydrophobicContact CB-CB 4.36Å; F37-D71 VanDerWaalsContact CB-OD1 3.31Å; F37-D71 WeakPolarHBondContact CB-OD1 3.26Å; F37-D71 HydrophobicContact CD2-CB 4.42Å; F37-D71 HydrophobicContact CG-CB 4.45Å; D71-N73 VanDerWaalsContact C-N 3.27Å; D71-N73 PolarHBondContact O-N 3.15Å; D71-A74 PolarHBondContact O-N 3.16Å; D71-A74 VanDerWaalsContact O-N 3.09Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.25Å; D71-L75 PolarHBondContact O-N 3.08Å; D71-H110 IonicContact OD2-CE1 3.49Å; D71-H110 IonicContact OD2-NE2 2.8Å
72T95.9Very high89.2Confident39 Ų3967.2 Ų67.224%0.23936%0.359CS..Hα-helixtrans-47.5-46.3-172.5-54.80000112.5P38 R76P38-T72 WeakPolarHBondContact CD-OG1 3.47Å; T72-R76 HydrophobicContact CG2-CG 4.37Å; T72-R76 VanDerWaalsContact O-CB 3.27Å; T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 VanDerWaalsContact O-CG 3.26Å; T72-R76 WeakPolarHBondContact O-CG 3.31Å; T72-R76 PolarHBondContact O-N 3.4Å
73N94.6Very high91.6Very high136 Ų13662.3 Ų62.373%0.72734%0.339SS*.Hα-helixtrans-71.7-34.4-175.4-69.4-27.7000112.7D71 V77D71-N73 VanDerWaalsContact C-N 3.27Å; D71-N73 PolarHBondContact O-N 3.15Å; N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å
74A96.8Very high94Very high27 Ų2754.1 Ų54.122%0.22330%0.304CS..Hα-helixtrans-78.7-47.8175.100000110.2I70 D71 R76 V77 R79I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.16Å; D71-A74 VanDerWaalsContact O-N 3.09Å; A74-R76 PolarHBondContact O-N 3.15Å; A74-V77 PolarHBondContact O-N 3.37Å; A74-R79 PolarHBondContact O-NH1 2.92Å; A74-R79 PolarHBondContact O-NH2 2.96Å
75L97.4Very high95.6Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-62.2-38.1-175176.359.6000113.3P38 A40 D71 V77 W250 Y253P38-L75 HydrophobicContact CB-CD2 4.23Å; A40-L75 HydrophobicContact CB-CD2 4.27Å; A40-L75 VanDerWaalsContact O-CD2 3.29Å; A40-L75 WeakPolarHBondContact O-CD2 3.39Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.25Å; D71-L75 PolarHBondContact O-N 3.08Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.94Å; L75-W250 PolarHBondContact O-NE1 3.32Å; L75-Y253 HydrophobicContact CD1-CE1 4.33Å; L75-Y253 HydrophobicContact CD2-CD1 4.45Å; L75-Y253 HydrophobicContact CD2-CE1 3.56Å; L75-Y253 HydrophobicContact CD2-CE2 4.19Å; L75-Y253 VanDerWaalsContact CD2-CZ 3.41Å; L75-Y253 WeakPolarHBondContact CD2-OH 3.29Å; L75-Y253 HydrophobicContact CG-CD1 4.37Å; L75-Y253 HydrophobicContact CG-CE1 3.7Å
76R96.6Very high96.3Very high108 Ų10853.7 Ų53.741%0.40828%0.28SS..THydrogen-bonded Turntrans-84.42.1-174.1-65.3-175.5178.6-173.72.8114.8T72 A74 M254T72-R76 HydrophobicContact CG2-CG 4.37Å; T72-R76 VanDerWaalsContact O-CB 3.27Å; T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 VanDerWaalsContact O-CG 3.26Å; T72-R76 WeakPolarHBondContact O-CG 3.31Å; T72-R76 PolarHBondContact O-N 3.4Å; A74-R76 PolarHBondContact O-N 3.15Å; R76-M254 HydrophobicContact CB-CE 4.12Å; R76-M254 HydrophobicContact CB-SD 4.13Å; R76-M254 HydrophobicContact CG-CE 4.13Å; R76-M254 HydrophobicContact CG-SD 3.92Å
77V96.3Very high96.6Very high66 Ų6651.1 Ų51.140%0.426%0.264SS..SBendtrans-85.3123.7174.61730000109.5N73 A74 L75 R79 M82N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å; A74-V77 PolarHBondContact O-N 3.37Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.94Å; V77-R79 PolarHBondContact O-N 3.49Å; V77-R79 PolarHBondContact O-NH1 3.35Å; V77-M82 WeakPolarHBondContact O-CE 3.43Å
78P96.3Very high96.7Very high33 Ų3349.5 Ų49.521%0.21425%0.253CS..  trans-64.3127.4178.726.7-33.7000110.2Y221 L243 P244 V246 W250P78-Y221 HydrophobicContact CB-CD2 4.08Å; P78-Y221 HydrophobicContact CG-CD2 4.34Å; P78-L243 HydrophobicContact CG-CD2 4.17Å; P78-P244 HydrophobicContact CB-CG 4.04Å; P78-P244 WeakPolarHBondContact O-CG 3.32Å; P78-V246 HydrophobicContact CB-CG1 3.67Å; P78-W250 VanDerWaalsContact CA-CH2 3.47Å; P78-W250 HydrophobicContact CB-CH2 3.61Å; P78-W250 HydrophobicContact CB-CZ2 4.33Å; P78-W250 HydrophobicContact CB-CZ3 3.94Å; P78-W250 HydrophobicContact CG-CH2 4.41Å
79R96Very high96.6Very high57 Ų5752.7 Ų52.722%0.21527%0.268CS..  trans-133.8150.4176-65.5-176.2-174.2780.4110Y69 A74 V77 M82Y69-R79 VanDerWaalsContact CD1-CZ 3.42Å; Y69-R79 VanDerWaalsContact CZ-CD 3.46Å; A74-R79 PolarHBondContact O-NH1 2.92Å; A74-R79 PolarHBondContact O-NH2 2.96Å; V77-R79 PolarHBondContact O-N 3.49Å; V77-R79 PolarHBondContact O-NH1 3.35Å; R79-M82 HydrophobicContact CB-CB 3.9Å; R79-M82 HydrophobicContact CB-CE 4Å; R79-M82 HydrophobicContact CB-SD 4.2Å; R79-M82 HydrophobicContact CG-CE 4.24Å; R79-M82 HydrophobicContact CG-SD 4.37Å
80E94.3Very high96.3Very high105 Ų10553 Ų5349%0.49127%0.274SS..THydrogen-bonded Turntrans-66.7141.5173.9-159.1179.7166.400110.1M82 P244E80-M82 PolarHBondContact O-N 3.41Å; E80-P244 HydrophobicContact CB-CB 4.3Å
81N94.2Very high96.1Very high83 Ų8353.6 Ų53.644%0.44428%0.283SS..THydrogen-bonded Turntrans5711175.9-55.4-46.1000116.1E83N81-E83 PolarHBondContact O-N 2.59Å
82M97.1Very high96.1Very high0 Ų053.3 Ų53.30%028%0.281CS..PPolyproline II helixtrans-81.6116.5177.6-175.3175.261.200110.3M43 V44 Y69 V77 R79 E80 T247 W250M43-M82 WeakPolarHBondContact O-CA 3.48Å; V44-M82 HydrophobicContact CG2-CB 3.54Å; V44-M82 HydrophobicContact CG2-CG 3.94Å; Y69-M82 HydrophobicContact CD2-CG 4.24Å; Y69-M82 HydrophobicContact CD2-SD 3.51Å; Y69-M82 VanDerWaalsContact CD2-SD 3.51Å; Y69-M82 HydrophobicContact CE2-SD 4.19Å; Y69-M82 HydrophobicContact CG-SD 3.95Å; V77-M82 WeakPolarHBondContact O-CE 3.43Å; R79-M82 HydrophobicContact CB-CB 3.9Å; R79-M82 HydrophobicContact CB-CE 4Å; R79-M82 HydrophobicContact CB-SD 4.2Å; R79-M82 HydrophobicContact CG-CE 4.24Å; R79-M82 HydrophobicContact CG-SD 4.37Å; E80-M82 PolarHBondContact O-N 3.41Å; M82-T247 WeakPolarHBondContact O-CB 3.15Å; M82-T247 WeakPolarHBondContact O-CG2 3.28Å; M82-T247 PolarHBondContact O-OG1 2.69Å; M82-W250 HydrophobicContact CE-CD2 4.22Å; M82-W250 HydrophobicContact CE-CG 4.01Å; M82-W250 HydrophobicContact CE-CZ2 4.39Å; M82-W250 WeakPolarHBondContact O-CB 3.49Å
83E97.7Very high96.2Very high80 Ų8052.1 Ų52.137%0.37427%0.274SS..EExtended strand (participates in β ladder)trans-87.2142.1172.1-63.6-69.2151.700110G42 M43 N81 I85 T247 S249G42-E83 CarbonylContact C-O 3.59Å; G42-E83 WeakPolarHBondContact CA-O 3.15Å; M43-E83 PolarHBondContact N-O 2.78Å; M43-E83 PolarHBondContact O-N 3.02Å; N81-E83 PolarHBondContact O-N 2.59Å; E83-I85 HydrophobicContact CB-CG2 4.2Å; E83-T247 HydrophobicContact CG-CG2 4.32Å; E83-T247 VanDerWaalsContact OE1-CB 3.3Å; E83-T247 WeakPolarHBondContact OE1-CB 3.47Å; E83-T247 WeakPolarHBondContact OE1-CG2 3.43Å; E83-S249 VanDerWaalsContact CA-OG 3.28Å; E83-S249 WeakPolarHBondContact CA-OG 3.41Å; E83-S249 WeakPolarHBondContact OE2-CB 3.28Å; E83-S249 PolarHBondContact OE2-OG 2.86Å
84A98Very high96.3Very high19 Ų1950.2 Ų50.216%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-95.5116.3168.200000109.3I41 S249 W250 Y253I41-A84 WeakPolarHBondContact O-CA 3.3Å; A84-S249 PolarHBondContact N-OG 2.81Å; A84-W250 HydrophobicContact CB-CB 4.23Å; A84-Y253 HydrophobicContact CB-CG 4.11Å
85I97.3Very high96.3Very high43 Ų4351.3 Ų51.322%0.22126%0.262CS..EExtended strand (participates in β ladder)trans-126.9162.2-175.963.4170.4000110.8A40 I41 M43 E83 S98A40-I85 CarbonylContact C-O 3.53Å; A40-I85 WeakPolarHBondContact CA-O 3.27Å; I41-I85 HydrophobicContact CD1-CD1 4.38Å; I41-I85 HydrophobicContact CD1-CG1 4.35Å; I41-I85 HydrophobicContact CG1-CD1 4.24Å; I41-I85 HydrophobicContact CG1-CG1 3.69Å; I41-I85 PolarHBondContact N-O 2.73Å; I41-I85 PolarHBondContact O-N 3.48Å; M43-I85 HydrophobicContact CB-CD1 3.88Å; M43-I85 HydrophobicContact CB-CG1 4.27Å; M43-I85 HydrophobicContact CE-CD1 3.95Å; M43-I85 HydrophobicContact CG-CD1 4.37Å; M43-I85 HydrophobicContact SD-CD1 3.67Å; E83-I85 HydrophobicContact CB-CG2 4.2Å; I85-S98 WeakPolarHBondContact CD1-OG 3.34Å
86S97.3Very high96.4Very high50 Ų5052.9 Ų52.935%0.3527%0.268SS..  trans-125.2134.6170.1176.40000108.7L88S86-L88 PolarHBondContact O-N 3.5Å; S86-L88 PolarHBondContact OG-N 2.98Å
87P97.6Very high96.4Very high1 Ų153.1 Ų53.11%0.00628%0.278CS..SBendtrans-71.8-13.3176.127.9-33000113.4T39 E94 D95 F99 I102T39-P87 HydrophobicContact CG2-CG 4.24Å; T39-P87 WeakPolarHBondContact O-CD 3.45Å; P87-E94 PolarHBondContact O-N 3.43Å; P87-D95 HydrophobicContact CB-CB 4.37Å; P87-D95 VanDerWaalsContact CB-O 3.29Å; P87-D95 WeakPolarHBondContact CB-O 3.33Å; P87-D95 PolarHBondContact O-N 2.6Å; P87-F99 HydrophobicContact CB-CB 3.98Å; P87-F99 HydrophobicContact CG-CB 4.49Å; P87-I102 HydrophobicContact CG-CD1 3.61Å
88L97.7Very high96.4Very high20 Ų2050 Ų5011%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-101138.3-176.4-63.1179.9000112.2I18 G19 T39 S86 M92 V93I18-L88 HydrophobicContact CG2-CD1 4.18Å; I18-L88 WeakPolarHBondContact O-CD1 3.27Å; G19-L88 VanDerWaalsContact C-CD1 3.45Å; G19-L88 VanDerWaalsContact O-CD1 3.26Å; G19-L88 WeakPolarHBondContact O-CD1 3.49Å; T39-L88 HydrophobicContact CG2-CD1 3.91Å; T39-L88 HydrophobicContact CG2-CG 4.19Å; S86-L88 PolarHBondContact O-N 3.5Å; S86-L88 PolarHBondContact OG-N 2.98Å; L88-M92 CarbonylContact C-O 3.4Å; L88-M92 VanDerWaalsContact CA-O 3.28Å; L88-M92 WeakPolarHBondContact CA-O 3.5Å; L88-V93 HydrophobicContact CD2-CB 4.32Å; L88-V93 HydrophobicContact CD2-CG2 3.71Å
89K95.6Very high96.5Very high130 Ų13048.6 Ų48.657%0.56525%0.249SC*.EExtended strand (participates in β ladder)trans-128128.9165.7-168.5177.4-179.9176.90109.2G91 M92 E94K89-G91 PolarHBondContact O-N 3.25Å; K89-G91 VanDerWaalsContact O-N 3.14Å; K89-M92 PolarHBondContact N-O 3.08Å; K89-M92 PolarHBondContact O-N 2.68Å; K89-E94 HydrophobicContact CB-CG 3.41Å; K89-E94 VanDerWaalsContact CB-CG 3.41Å; K89-E94 HydrophobicContact CD-CG 4.26Å; K89-E94 HydrophobicContact CG-CG 4.47Å
90N91.5Very high96.6Very high70 Ų7048.4 Ų48.437%0.37425%0.251SS..THydrogen-bonded Turntrans51.537.2-179.3-55.2-19.8000113.6M92 W127 H176N90-M92 VanDerWaalsContact C-N 3.31Å; N90-M92 PolarHBondContact O-N 2.87Å; N90-W127 PolarHBondContact O-NE1 3Å; N90-H176 PolarHBondContact OD1-CE1 2.66Å
91G93Very high96.8Very high23 Ų2344 Ų4424%0.23723%0.232CC..THydrogen-bonded Turntrans75.97.5-178.300000115.8K89K89-G91 PolarHBondContact O-N 3.25Å; K89-G91 VanDerWaalsContact O-N 3.14Å
92M96.6Very high97Very high29 Ų2940 Ų4014%0.14321%0.211CC..EExtended strand (participates in β ladder)trans-118.3147.5178.5-61.5-179-67.700111.2L88 K89 N90 E94 T129 K132L88-M92 CarbonylContact C-O 3.4Å; L88-M92 VanDerWaalsContact CA-O 3.28Å; L88-M92 WeakPolarHBondContact CA-O 3.5Å; K89-M92 PolarHBondContact N-O 3.08Å; K89-M92 PolarHBondContact O-N 2.68Å; N90-M92 VanDerWaalsContact C-N 3.31Å; N90-M92 PolarHBondContact O-N 2.87Å; M92-E94 PolarHBondContact O-N 3.46Å; M92-T129 HydrophobicContact SD-CG2 4.3Å; M92-K132 HydrophobicContact CB-CD 4.07Å; M92-K132 HydrophobicContact SD-CD 4.37Å
93V98Very high97Very high15 Ų1540 Ų409%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-67124.1173.7-173.10000110L88 W96 F99 K132L88-V93 HydrophobicContact CD2-CB 4.32Å; L88-V93 HydrophobicContact CD2-CG2 3.71Å; V93-W96 HydrophobicContact CB-CH2 4.22Å; V93-W96 HydrophobicContact CB-CZ2 4Å; V93-W96 HydrophobicContact CG1-CD2 3.7Å; V93-W96 HydrophobicContact CG1-CE3 3.96Å; V93-W96 HydrophobicContact CG1-CG 4.11Å; V93-W96 HydrophobicContact CG1-CH2 4.33Å; V93-W96 HydrophobicContact CG1-CZ2 4.09Å; V93-W96 HydrophobicContact CG1-CZ3 4.26Å; V93-F99 HydrophobicContact CG1-CB 3.73Å; V93-F99 HydrophobicContact CG1-CD1 4.39Å; V93-F99 HydrophobicContact CG1-CD2 4.09Å; V93-F99 HydrophobicContact CG1-CG 3.83Å; V93-F99 HydrophobicContact CG2-CD1 4.44Å; V93-F99 HydrophobicContact CG2-CD2 3.58Å; V93-F99 HydrophobicContact CG2-CE1 4.44Å; V93-F99 HydrophobicContact CG2-CE2 3.58Å; V93-F99 HydrophobicContact CG2-CG 4.02Å; V93-F99 HydrophobicContact CG2-CZ 4.04Å; V93-K132 WeakPolarHBondContact O-CD 3.37Å; V93-K132 VanDerWaalsContact O-CE 3.29Å; V93-K132 WeakPolarHBondContact O-CE 3.34Å; V93-K132 PolarHBondContact O-NZ 2.67Å
94E97.4Very high97Very high96 Ų9639.2 Ų39.245%0.44921%0.209SC..  trans-111.3-43.7171-63.6-61.7167.600111.2P87 K89 M92 K132P87-E94 PolarHBondContact O-N 3.43Å; K89-E94 HydrophobicContact CB-CG 3.41Å; K89-E94 VanDerWaalsContact CB-CG 3.41Å; K89-E94 HydrophobicContact CD-CG 4.26Å; K89-E94 HydrophobicContact CG-CG 4.47Å; M92-E94 PolarHBondContact O-N 3.46Å; E94-K132 IonicContact OE1-NZ 3.14Å; E94-K132 PolarHBondContact OE1-NZ 3.47Å; E94-K132 IonicContact OE2-NZ 2.61Å; E94-K132 PolarHBondContact OE2-NZ 3.3Å
95D97.6Very high97Very high50 Ų5040.1 Ų40.127%0.26721%0.21SC..  trans-101106.6176.4179-5.2000109.4P87 D97 S98 F99P87-D95 HydrophobicContact CB-CB 4.37Å; P87-D95 VanDerWaalsContact CB-O 3.29Å; P87-D95 WeakPolarHBondContact CB-O 3.33Å; P87-D95 PolarHBondContact O-N 2.6Å; D95-D97 PolarHBondContact OD1-N 3.27Å; D95-D97 VanDerWaalsContact OD1-N 3.11Å; D95-S98 VanDerWaalsContact CG-CB 3.44Å; D95-S98 VanDerWaalsContact CG-OG 3.29Å; D95-S98 PolarHBondContact OD1-N 3.03Å; D95-S98 VanDerWaalsContact OD1-N 3.09Å; D95-S98 WeakPolarHBondContact OD2-CB 3.34Å; D95-S98 PolarHBondContact OD2-OG 2.89Å; D95-F99 VanDerWaalsContact O-CB 3.29Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.39Å
96W97.8Very high97Very high32 Ų3238.1 Ų38.112%0.12120%0.2CC..Hα-helixtrans-80.7-27.7-175.4-71.885.2000113.1V93 F99 Q100 K132 K135 L136 L139V93-W96 HydrophobicContact CB-CH2 4.22Å; V93-W96 HydrophobicContact CB-CZ2 4Å; V93-W96 HydrophobicContact CG1-CD2 3.7Å; V93-W96 HydrophobicContact CG1-CE3 3.96Å; V93-W96 HydrophobicContact CG1-CG 4.11Å; V93-W96 HydrophobicContact CG1-CH2 4.33Å; V93-W96 HydrophobicContact CG1-CZ2 4.09Å; V93-W96 HydrophobicContact CG1-CZ3 4.26Å; W96-F99 HydrophobicContact CE3-CD1 4.38Å; W96-F99 HydrophobicContact CZ3-CD1 4.48Å; W96-F99 PolarHBondContact O-N 3.05Å; W96-Q100 WeakPolarHBondContact O-CB 3.39Å; W96-Q100 PolarHBondContact O-N 2.78Å; W96-K132 WeakPolarHBondContact CH2-O 3.49Å; W96-K132 HydrophobicContact CZ2-CB 4.14Å; W96-K132 HydrophobicContact CZ2-CG 4.29Å; W96-K135 HydrophobicContact CD2-CD 3.73Å; W96-K135 VanDerWaalsContact CD2-CE 3.47Å; W96-K135 HydrophobicContact CD2-CG 4.09Å; W96-K135 VanDerWaalsContact CE2-CD 3.49Å; W96-K135 HydrophobicContact CE3-CD 4.3Å; W96-K135 HydrophobicContact CE3-CG 4.16Å; W96-K135 HydrophobicContact CG-CD 4.09Å; W96-K135 VanDerWaalsContact CG-CE 3.41Å; W96-K135 HydrophobicContact CH2-CB 3.97Å; W96-K135 HydrophobicContact CH2-CD 4.4Å; W96-K135 HydrophobicContact CH2-CG 3.97Å; W96-K135 HydrophobicContact CZ2-CB 3.94Å; W96-K135 HydrophobicContact CZ2-CD 3.85Å; W96-K135 HydrophobicContact CZ2-CG 3.9Å; W96-K135 HydrophobicContact CZ3-CG 4.11Å; W96-L136 HydrophobicContact CH2-CB 3.88Å; W96-L136 HydrophobicContact CZ3-CB 4.07Å; W96-L136 HydrophobicContact CZ3-CD1 4.24Å; W96-L139 HydrophobicContact CE3-CD2 4.25Å; W96-L139 HydrophobicContact CZ3-CD2 4.35Å
97D96.8Very high97Very high113 Ų11336.4 Ų36.460%0.60419%0.186SC*.Hα-helixtrans-72.5-45.8-179.6-60.4-30000109.1D95 F99 Q100 A101D95-D97 PolarHBondContact OD1-N 3.27Å; D95-D97 VanDerWaalsContact OD1-N 3.11Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 3.03Å; D97-Q100 PolarHBondContact O-N 2.87Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.86Å
98S97.4Very high97Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-62.9-38.5172.2-69.80000112.4I85 D95 A101 I102I85-S98 WeakPolarHBondContact CD1-OG 3.34Å; D95-S98 VanDerWaalsContact CG-CB 3.44Å; D95-S98 VanDerWaalsContact CG-OG 3.29Å; D95-S98 PolarHBondContact OD1-N 3.03Å; D95-S98 VanDerWaalsContact OD1-N 3.09Å; D95-S98 WeakPolarHBondContact OD2-CB 3.34Å; D95-S98 PolarHBondContact OD2-OG 2.89Å; S98-A101 PolarHBondContact O-N 3.03Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 2.82Å; S98-I102 VanDerWaalsContact O-N 3.13Å
99F98.3Very high96.9Very high4 Ų447.8 Ų47.82%0.01824%0.237CC..Hα-helixtrans-65.4-44176.3-178.1-96.8000112.1I18 P87 V93 D95 W96 D97 A101 I102 L103 M122 L136 L139I18-F99 HydrophobicContact CB-CE2 4.33Å; I18-F99 HydrophobicContact CD1-CE2 3.53Å; I18-F99 HydrophobicContact CD1-CZ 3.65Å; I18-F99 HydrophobicContact CG2-CE2 4Å; P87-F99 HydrophobicContact CB-CB 3.98Å; P87-F99 HydrophobicContact CG-CB 4.49Å; V93-F99 HydrophobicContact CG1-CB 3.73Å; V93-F99 HydrophobicContact CG1-CD1 4.39Å; V93-F99 HydrophobicContact CG1-CD2 4.09Å; V93-F99 HydrophobicContact CG1-CG 3.83Å; V93-F99 HydrophobicContact CG2-CD1 4.44Å; V93-F99 HydrophobicContact CG2-CD2 3.58Å; V93-F99 HydrophobicContact CG2-CE1 4.44Å; V93-F99 HydrophobicContact CG2-CE2 3.58Å; V93-F99 HydrophobicContact CG2-CG 4.02Å; V93-F99 HydrophobicContact CG2-CZ 4.04Å; D95-F99 VanDerWaalsContact O-CB 3.29Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.39Å; W96-F99 HydrophobicContact CE3-CD1 4.38Å; W96-F99 HydrophobicContact CZ3-CD1 4.48Å; W96-F99 PolarHBondContact O-N 3.05Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 3.03Å; F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 3.22Å; F99-I102 WeakPolarHBondContact O-CB 3.34Å; F99-I102 PolarHBondContact O-N 2.97Å; F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CD1-CG 4.4Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CZ-CD1 4.29Å; F99-L103 HydrophobicContact CZ-CG 4.5Å; F99-L103 PolarHBondContact O-N 3.28Å; F99-L103 VanDerWaalsContact O-N 3.11Å; F99-M122 HydrophobicContact CZ-SD 4.05Å; F99-L136 HydrophobicContact CE1-CD1 3.67Å; F99-L136 HydrophobicContact CZ-CD1 4.05Å; F99-L139 HydrophobicContact CD1-CD2 4.2Å; F99-L139 HydrophobicContact CE1-CD2 4.32Å
100Q97.9Very high96.9Very high53 Ų5343.3 Ų43.325%0.24822%0.218CC..Hα-helixtrans-62.6-40.3175-168.9-176.9-58.700111W96 D97 I102 L103 D104 L139 H143 Y144W96-Q100 WeakPolarHBondContact O-CB 3.39Å; W96-Q100 PolarHBondContact O-N 2.78Å; D97-Q100 PolarHBondContact O-N 2.87Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 2.85Å; Q100-L103 WeakPolarHBondContact O-CB 3.31Å; Q100-L103 PolarHBondContact O-N 2.8Å; Q100-L103 VanDerWaalsContact O-N 3.08Å; Q100-D104 VanDerWaalsContact O-CG 3.28Å; Q100-D104 PolarHBondContact O-N 3.27Å; Q100-L139 HydrophobicContact CG-CD1 4.19Å; Q100-H143 PolarHBondContact NE2-CE1 2.91Å; Q100-H143 PolarHBondContact NE2-NE2 3.48Å; Q100-Y144 HydrophobicContact CG-CE2 4.42Å; Q100-Y144 VanDerWaalsContact CG-OH 3.25Å; Q100-Y144 WeakPolarHBondContact CG-OH 3.42Å; Q100-Y144 PolarHBondContact O-OH 2.88Å
101A97.8Very high97Very high12 Ų1240.2 Ų40.210%0.09920%0.202CC..Hα-helixtrans-59.4-37.5175.100000112.7Y68 I70 D97 S98 F99 H105Y68-A101 HydrophobicContact CD1-CB 4.35Å; Y68-A101 HydrophobicContact CD2-CB 3.46Å; Y68-A101 VanDerWaalsContact CD2-CB 3.46Å; Y68-A101 HydrophobicContact CE2-CB 3.76Å; Y68-A101 HydrophobicContact CG-CB 3.77Å; I70-A101 HydrophobicContact CD1-CB 3.84Å; I70-A101 WeakPolarHBondContact CD1-O 3.39Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.86Å; S98-A101 PolarHBondContact O-N 3.03Å; F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 3.22Å; A101-H105 WeakPolarHBondContact O-CB 3.38Å; A101-H105 PolarHBondContact O-N 3.42Å
102I98.3Very high97Very high0 Ų046.9 Ų46.90%022%0.224CC..Hα-helixtrans-63.3-45.5172.8-71.1179.1000111.3V23 F37 T39 I41 I70 P87 S98 F99 Q100 H105 T106V23-I102 HydrophobicContact CB-CG2 4.41Å; V23-I102 HydrophobicContact CG1-CG2 4.06Å; V23-I102 HydrophobicContact CG2-CD1 4.29Å; V23-I102 HydrophobicContact CG2-CG2 3.58Å; F37-I102 HydrophobicContact CE2-CG2 4.18Å; F37-I102 HydrophobicContact CZ-CG2 3.92Å; T39-I102 HydrophobicContact CG2-CD1 4.28Å; T39-I102 WeakPolarHBondContact O-CD1 3.39Å; I41-I102 HydrophobicContact CG2-CD1 3.77Å; I41-I102 HydrophobicContact CG2-CG1 3.66Å; I70-I102 HydrophobicContact CD1-CG1 4.42Å; P87-I102 HydrophobicContact CG-CD1 3.61Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 2.82Å; S98-I102 VanDerWaalsContact O-N 3.13Å; F99-I102 WeakPolarHBondContact O-CB 3.34Å; F99-I102 PolarHBondContact O-N 2.97Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 2.85Å; I102-H105 PolarHBondContact O-N 3.19Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 3.03Å; I102-T106 PolarHBondContact O-OG1 3.44Å
103L98.3Very high96.8Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-62.9-46.4177.6-70.3-179.8000111.2F16 I18 F99 Q100 H105 T106 Y107 M122 L139 M140 Y144F16-L103 HydrophobicContact CD1-CD2 3.83Å; F16-L103 HydrophobicContact CE1-CD2 3.85Å; I18-L103 HydrophobicContact CD1-CD2 3.79Å; F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CD1-CG 4.4Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CZ-CD1 4.29Å; F99-L103 HydrophobicContact CZ-CG 4.5Å; F99-L103 PolarHBondContact O-N 3.28Å; F99-L103 VanDerWaalsContact O-N 3.11Å; Q100-L103 WeakPolarHBondContact O-CB 3.31Å; Q100-L103 PolarHBondContact O-N 2.8Å; Q100-L103 VanDerWaalsContact O-N 3.08Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; L103-T106 WeakPolarHBondContact O-CB 3.47Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 VanDerWaalsContact O-N 3.08Å; L103-Y107 VanDerWaalsContact O-CD2 3.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.49Å; L103-Y107 PolarHBondContact O-N 2.89Å; L103-M122 HydrophobicContact CD2-CE 4.02Å; L103-L139 HydrophobicContact CD1-CD2 4.17Å; L103-M140 HydrophobicContact CD1-SD 3.89Å; L103-Y144 HydrophobicContact CB-CE1 4.44Å; L103-Y144 HydrophobicContact CB-CE2 4.09Å; L103-Y144 WeakPolarHBondContact CB-OH 3.44Å; L103-Y144 HydrophobicContact CD1-CD2 4.48Å; L103-Y144 HydrophobicContact CD1-CE2 3.63Å
104D97.6Very high96.6Very high64 Ų6452.9 Ų52.934%0.34226%0.255SS..Hα-helixtrans-57.7-46.6176.4-69.4-16.7000111.5Q100 T106 Y107 K108 Y144Q100-D104 VanDerWaalsContact O-CG 3.28Å; Q100-D104 PolarHBondContact O-N 3.27Å; D104-T106 VanDerWaalsContact C-N 3.33Å; D104-T106 PolarHBondContact O-N 3.5Å; D104-Y107 PolarHBondContact O-N 2.96Å; D104-K108 WeakPolarHBondContact O-CB 3.36Å; D104-K108 PolarHBondContact O-N 3.43Å; D104-Y144 PolarHBondContact N-OH 3.45Å; D104-Y144 VanDerWaalsContact OD1-CE1 3.23Å; D104-Y144 WeakPolarHBondContact OD1-CE1 3.37Å; D104-Y144 VanDerWaalsContact OD1-CZ 3.3Å; D104-Y144 PolarHBondContact OD1-OH 3.23Å
105H97.8Very high96.5Very high38 Ų3849 Ų4918%0.17624%0.239CC..Hα-helixtrans-60.3-44.1174.7-177.594.9000111.4I70 A101 I102 L103 K108 M109 H110I70-H105 HydrophobicContact CB-CB 4.1Å; I70-H105 HydrophobicContact CD1-CB 3.83Å; I70-H105 HydrophobicContact CG2-CB 3.86Å; I70-H105 PolarHBondContact O-CE1 2.75Å; A101-H105 WeakPolarHBondContact O-CB 3.38Å; A101-H105 PolarHBondContact O-N 3.42Å; I102-H105 PolarHBondContact O-N 3.19Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; H105-K108 PolarHBondContact O-N 3.46Å; H105-M109 VanDerWaalsContact O-CB 3.28Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 PolarHBondContact O-N 2.91Å; H105-H110 AromaticContact CD2-CD2 3.89Å; H105-H110 AromaticContact CD2-NE2 3.67Å; H105-H110 AromaticContact NE2-NE2 3.38Å; H105-H110 PolarHBondContact NE2-NE2 3.31Å
106T97.8Very high96.5Very high0 Ų048.5 Ų48.50%024%0.24CC..Iπ-helixtrans-61.9-48.6-179.5-56.10000111.4F16 A25 V35 F37 I102 L103 D104 H110 V111F16-T106 HydrophobicContact CD1-CG2 4.39Å; F16-T106 HydrophobicContact CE1-CG2 3.6Å; F16-T106 HydrophobicContact CZ-CG2 4.29Å; A25-T106 HydrophobicContact CB-CG2 3.55Å; V35-T106 HydrophobicContact CG1-CG2 4.28Å; F37-T106 WeakPolarHBondContact CZ-OG1 3.41Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 3.03Å; I102-T106 PolarHBondContact O-OG1 3.44Å; L103-T106 WeakPolarHBondContact O-CB 3.47Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 VanDerWaalsContact O-N 3.08Å; D104-T106 VanDerWaalsContact C-N 3.33Å; D104-T106 PolarHBondContact O-N 3.5Å; T106-H110 WeakPolarHBondContact O-CB 3.29Å; T106-H110 PolarHBondContact O-N 3.37Å; T106-H110 VanDerWaalsContact O-N 3.11Å; T106-V111 HydrophobicContact CG2-CG2 4.33Å; T106-V111 PolarHBondContact O-N 2.78Å
107Y97.3Very high96.3Very high15 Ų1552 Ų526%0.05926%0.26CS..Iπ-helixtrans-61.7-47.9176.3-82.9-69.6000111.9L14 F16 L103 D104 V111 K112 A115 V120 Y144L14-Y107 HydrophobicContact CD1-CD1 4.42Å; L14-Y107 HydrophobicContact CD1-CE1 3.58Å; F16-Y107 HydrophobicContact CE1-CE2 4.47Å; F16-Y107 HydrophobicContact CE2-CE2 4.5Å; F16-Y107 HydrophobicContact CZ-CD2 4.39Å; F16-Y107 HydrophobicContact CZ-CE1 4.11Å; F16-Y107 AromaticContact CZ-CE2 3.79Å; F16-Y107 HydrophobicContact CZ-CE2 3.79Å; F16-Y107 AromaticContact CZ-CZ 3.64Å; L103-Y107 VanDerWaalsContact O-CD2 3.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.49Å; L103-Y107 PolarHBondContact O-N 2.89Å; D104-Y107 PolarHBondContact O-N 2.96Å; Y107-V111 HydrophobicContact CD1-CB 4.26Å; Y107-V111 HydrophobicContact CD1-CG1 4.31Å; Y107-V111 HydrophobicContact CD1-CG2 4.27Å; Y107-K112 WeakPolarHBondContact O-CA 3.24Å; Y107-K112 PolarHBondContact O-N 3Å; Y107-A115 HydrophobicContact CD1-CB 3.97Å; Y107-A115 HydrophobicContact CD2-CB 4.43Å; Y107-A115 HydrophobicContact CE1-CB 3.47Å; Y107-A115 VanDerWaalsContact CE1-CB 3.47Å; Y107-A115 HydrophobicContact CE2-CB 3.98Å; Y107-A115 HydrophobicContact CG-CB 4.43Å; Y107-A115 VanDerWaalsContact CZ-CB 3.48Å; Y107-V120 VanDerWaalsContact OH-CG2 3.31Å; Y107-V120 WeakPolarHBondContact OH-CG2 3.4Å; Y107-Y144 HydrophobicContact CD2-CD1 4.02Å; Y107-Y144 AromaticContact CD2-CE1 3.9Å; Y107-Y144 HydrophobicContact CD2-CE1 3.9Å; Y107-Y144 AromaticContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CE1 4.1Å; Y107-Y144 HydrophobicContact CE2-CG 4.36Å
108K96.3Very high96.2Very high164 Ų16447.7 Ų47.771%0.71324%0.236SC*.Iπ-helixtrans-70.7-46.4-174.8-176178178.8177.60113.4D104 H105D104-K108 WeakPolarHBondContact O-CB 3.36Å; D104-K108 PolarHBondContact O-N 3.43Å; H105-K108 PolarHBondContact O-N 3.46Å
109M96.3Very high96.2Very high95 Ų9547.8 Ų47.847%0.46824%0.237SC..Iπ-helixtrans-93.6-32.6-168.7-61-55.3-64.200113.2H105 K112H105-M109 VanDerWaalsContact O-CB 3.28Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 PolarHBondContact O-N 2.91Å; M109-K112 WeakPolarHBondContact O-CE 3.34Å
110H95.4Very high96.2Very high36 Ų3647.6 Ų47.617%0.16724%0.236CC..Iπ-helixtrans-114-50-170.8-57.2-68.5000113.3K34 V35 D71 H105 T106K34-H110 WeakPolarHBondContact CE-O 3.29Å; K34-H110 PolarHBondContact NZ-O 3.12Å; V35-H110 HydrophobicContact CB-CB 3.86Å; V35-H110 HydrophobicContact CG1-CB 3.92Å; V35-H110 HydrophobicContact CG2-CB 4.14Å; V35-H110 WeakPolarHBondContact CG2-CE1 3.23Å; V35-H110 VanDerWaalsContact CG2-CG 3.41Å; V35-H110 VanDerWaalsContact CG2-ND1 3.27Å; V35-H110 WeakPolarHBondContact CG2-ND1 3.41Å; D71-H110 IonicContact OD2-CE1 3.49Å; D71-H110 IonicContact OD2-NE2 2.8Å; H105-H110 AromaticContact CD2-CD2 3.89Å; H105-H110 AromaticContact CD2-NE2 3.67Å; H105-H110 AromaticContact NE2-NE2 3.38Å; H105-H110 PolarHBondContact NE2-NE2 3.31Å; T106-H110 WeakPolarHBondContact O-CB 3.29Å; T106-H110 PolarHBondContact O-N 3.37Å; T106-H110 VanDerWaalsContact O-N 3.11Å
111V93.5Very high96.2Very high6 Ų645 Ų454%0.03622%0.224CC..Iπ-helixtrans-67.2-49.9176.4-178.70000109.6L14 K34 T106 Y107 S113L14-V111 HydrophobicContact CD1-CG1 3.83Å; L14-V111 HydrophobicContact CD1-CG2 4.27Å; L14-V111 HydrophobicContact CD2-CG1 4.01Å; L14-V111 HydrophobicContact CD2-CG2 4.22Å; K34-V111 PolarHBondContact NZ-O 2.98Å; T106-V111 HydrophobicContact CG2-CG2 4.33Å; T106-V111 PolarHBondContact O-N 2.78Å; Y107-V111 HydrophobicContact CD1-CB 4.26Å; Y107-V111 HydrophobicContact CD1-CG1 4.31Å; Y107-V111 HydrophobicContact CD1-CG2 4.27Å; V111-S113 VanDerWaalsContact C-N 3.3Å
112K93.4Very high96.2Very high162 Ų16244.6 Ų44.670%0.70422%0.22SC*.  trans5938.1-176.6-56.5-179.1179.6-179.60112.9Y107 M109Y107-K112 WeakPolarHBondContact O-CA 3.24Å; Y107-K112 PolarHBondContact O-N 3Å; M109-K112 WeakPolarHBondContact O-CE 3.34Å
113S92.6Very high96.2Very high38 Ų3845.2 Ų45.227%0.26623%0.225SC..SBendtrans-144.3155176.8-168.90000110V111 H118V111-S113 VanDerWaalsContact C-N 3.3Å; S113-H118 VanDerWaalsContact CB-NE2 3.3Å; S113-H118 WeakPolarHBondContact CB-NE2 3.33Å; S113-H118 PolarHBondContact OG-NE2 3.31Å
114E93.5Very high96.2Very high133 Ų13345.8 Ų45.862%0.62123%0.227SC*.  trans-67.4132.2177.1-66.4179.3-157.800110.8S116 L117 H118E114-S116 PolarHBondContact O-N 3.44Å; E114-L117 HydrophobicContact CB-CD1 4.07Å; E114-L117 HydrophobicContact CB-CG 4.09Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-N 3.16Å; E114-H118 PolarHBondContact O-CD2 3.35Å; E114-H118 VanDerWaalsContact O-CD2 3.27Å
115A95.7Very high96.1Very high13 Ų1343.2 Ų43.211%0.10722%0.215CC..G310 helixtrans-60.1-32.3-179.300000112.9Y107 L117 H118 Y144 I146Y107-A115 HydrophobicContact CD1-CB 3.97Å; Y107-A115 HydrophobicContact CD2-CB 4.43Å; Y107-A115 HydrophobicContact CE1-CB 3.47Å; Y107-A115 VanDerWaalsContact CE1-CB 3.47Å; Y107-A115 HydrophobicContact CE2-CB 3.98Å; Y107-A115 HydrophobicContact CG-CB 4.43Å; Y107-A115 VanDerWaalsContact CZ-CB 3.48Å; A115-L117 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact O-N 3.1Å; A115-H118 PolarHBondContact O-N 3.22Å; A115-H118 VanDerWaalsContact O-N 3.12Å; A115-Y144 HydrophobicContact CB-CD1 4.11Å; A115-Y144 HydrophobicContact CB-CG 4.45Å; A115-Y144 WeakPolarHBondContact CB-O 3.34Å; A115-I146 HydrophobicContact CB-CG2 4.2Å
116S95.7Very high96Very high41 Ų4141.6 Ų41.629%0.28721%0.208SC..G310 helixtrans-62.4-14.5178.356.90000114.9E114 N145 P147E114-S116 PolarHBondContact O-N 3.44Å; S116-N145 VanDerWaalsContact CA-O 3.31Å; S116-N145 WeakPolarHBondContact CA-O 3.1Å; S116-P147 WeakPolarHBondContact O-CD 3.45Å
117L94.8Very high95.9Very high105 Ų10544 Ų4455%0.5522%0.217SC..G310 helixtrans-90-11.4179.1-59177.6000113E114 A115E114-L117 HydrophobicContact CB-CD1 4.07Å; E114-L117 HydrophobicContact CB-CG 4.09Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact O-N 3.1Å
118H95.4Very high95.9Very high22 Ų2244.8 Ų44.810%0.10222%0.222CC..SBendtrans-129.8121.7-165.9-60.4-68.4000111.9G12 L14 Y27 S113 E114 A115 P147G12-H118 PolarHBondContact O-ND1 3.04Å; L14-H118 HydrophobicContact CD1-CB 3.69Å; L14-H118 HydrophobicContact CG-CB 3.92Å; Y27-H118 AromaticContact CE1-CE1 3.9Å; S113-H118 VanDerWaalsContact CB-NE2 3.3Å; S113-H118 WeakPolarHBondContact CB-NE2 3.33Å; S113-H118 PolarHBondContact OG-NE2 3.31Å; E114-H118 PolarHBondContact O-CD2 3.35Å; E114-H118 VanDerWaalsContact O-CD2 3.27Å; A115-H118 PolarHBondContact O-N 3.22Å; A115-H118 VanDerWaalsContact O-N 3.12Å; H118-P147 WeakPolarHBondContact O-CD 3.44Å
119P96.6Very high95.9Very high2 Ų239.9 Ų39.91%0.01321%0.206CC..  trans-55.6148.5162.4-24.636.2000110.8Y6 V11 A13 L14 P147 A148 W410Y6-P119 HydrophobicContact CE1-CG 3.69Å; V11-P119 HydrophobicContact CG1-CB 4.44Å; V11-P119 HydrophobicContact CG1-CG 3.75Å; A13-P119 CarbonylContact C-O 3.59Å; A13-P119 VanDerWaalsContact CA-O 3.25Å; A13-P119 WeakPolarHBondContact CA-O 3.37Å; A13-P119 HydrophobicContact CB-CB 4.14Å; L14-P119 PolarHBondContact N-O 2.69Å; P119-P147 HydrophobicContact CG-CG 4.12Å; P119-A148 CarbonylContact C-O 3.25Å; P119-A148 VanDerWaalsContact CA-O 3.3Å; P119-A148 WeakPolarHBondContact CA-O 3.23Å; P119-A148 HydrophobicContact CB-CB 4.13Å; P119-A148 HydrophobicContact CG-CB 4.47Å; P119-W410 HydrophobicContact CB-CH2 4.25Å; P119-W410 HydrophobicContact CB-CZ2 4.33Å; P119-W410 HydrophobicContact CB-CZ3 4.38Å
120V97.9Very high95.9Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-124.8119.8-178.4176.30000111L14 F16 Y107 M122 M140 I146 A148 F149 F150 W410L14-V120 HydrophobicContact CB-CG2 4.47Å; L14-V120 WeakPolarHBondContact O-CA 3.49Å; F16-V120 HydrophobicContact CD2-CG1 3.67Å; F16-V120 HydrophobicContact CE2-CG1 4.09Å; F16-V120 HydrophobicContact CE2-CG2 4.32Å; Y107-V120 VanDerWaalsContact OH-CG2 3.31Å; Y107-V120 WeakPolarHBondContact OH-CG2 3.4Å; V120-M122 HydrophobicContact CG1-CB 4.49Å; V120-M122 HydrophobicContact CG1-CE 4.36Å; V120-M140 HydrophobicContact CB-CE 4.29Å; V120-M140 HydrophobicContact CG1-CE 4.1Å; V120-M140 HydrophobicContact CG2-CE 4.06Å; V120-I146 HydrophobicContact CB-CD1 3.86Å; V120-I146 HydrophobicContact CG2-CB 4.45Å; V120-I146 HydrophobicContact CG2-CD1 4.11Å; V120-I146 HydrophobicContact CG2-CG2 3.92Å; V120-A148 PolarHBondContact N-O 2.78Å; V120-F149 HydrophobicContact CB-CD2 4.12Å; V120-F149 HydrophobicContact CB-CE2 4.49Å; V120-F149 HydrophobicContact CG1-CD2 4.25Å; V120-F149 HydrophobicContact CG1-CE2 4.13Å; V120-F149 WeakPolarHBondContact O-CA 3.28Å; V120-F149 WeakPolarHBondContact O-CD2 3.19Å; V120-F150 PolarHBondContact O-N 2.51Å; V120-W410 WeakPolarHBondContact O-CZ3 3.4Å
121L98.1Very high96.1Very high0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-93.4127.2161.2-173.8150.8000108.5L14 V15 F16 F150 L157 L400 A401 F406 W410L14-L121 PolarHBondContact O-N 2.9Å; V15-L121 CarbonylContact C-O 3.48Å; V15-L121 WeakPolarHBondContact CA-O 3.41Å; V15-L121 HydrophobicContact CG1-CD2 4.09Å; V15-L121 HydrophobicContact CG2-CB 4.46Å; F16-L121 PolarHBondContact N-O 3.2Å; L121-F150 CarbonylContact C-O 3.58Å; L121-F150 VanDerWaalsContact CA-O 3.3Å; L121-F150 WeakPolarHBondContact CA-O 3.1Å; L121-F150 HydrophobicContact CD1-CD1 4.38Å; L121-L157 HydrophobicContact CD2-CD1 4.16Å; L121-L157 HydrophobicContact CD2-CD2 4.3Å; L121-L400 HydrophobicContact CD1-CB 4.45Å; L121-L400 HydrophobicContact CD1-CD2 4.08Å; L121-L400 HydrophobicContact CD1-CG 4.34Å; L121-A401 HydrophobicContact CB-CB 4.3Å; L121-A401 HydrophobicContact CD1-CB 4.12Å; L121-F406 HydrophobicContact CD1-CE1 4.08Å; L121-F406 HydrophobicContact CD1-CZ 4.02Å; L121-W410 HydrophobicContact CB-CH2 3.79Å; L121-W410 HydrophobicContact CB-CZ3 4.06Å
122M98.4Very high96.3Very high3 Ų344.3 Ų44.32%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-122.1139.3175.7-165.3172-66.100111.1F16 I18 F99 L103 V120 L136 M140 F149 F150 L151 C152F16-M122 HydrophobicContact CB-CB 4.42Å; F16-M122 HydrophobicContact CB-CE 3.88Å; F16-M122 HydrophobicContact CB-CG 3.94Å; F16-M122 HydrophobicContact CG-CE 4.14Å; F16-M122 CarbonylContact O-C 3.59Å; F16-M122 WeakPolarHBondContact O-CA 3.43Å; I18-M122 HydrophobicContact CD1-SD 4.42Å; F99-M122 HydrophobicContact CZ-SD 4.05Å; L103-M122 HydrophobicContact CD2-CE 4.02Å; V120-M122 HydrophobicContact CG1-CB 4.49Å; V120-M122 HydrophobicContact CG1-CE 4.36Å; M122-L136 HydrophobicContact CE-CD1 4.43Å; M122-L136 HydrophobicContact SD-CD1 3.82Å; M122-L136 HydrophobicContact SD-CD2 3.7Å; M122-L136 HydrophobicContact SD-CG 4.24Å; M122-M140 HydrophobicContact CE-CE 4.39Å; M122-M140 HydrophobicContact CE-SD 3.95Å; M122-F149 HydrophobicContact CB-CE2 3.96Å; M122-F149 HydrophobicContact CB-CZ 4.15Å; M122-F150 PolarHBondContact N-O 3.16Å; M122-L151 HydrophobicContact CB-CD1 3.99Å; M122-L151 HydrophobicContact CG-CD1 4.43Å; M122-L151 WeakPolarHBondContact O-CA 3.42Å; M122-C152 PolarHBondContact O-N 2.83Å
123S97.7Very high96.5Very high13 Ų1337.1 Ų37.19%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-78.2150.3173.674.10000111.5F16 D17 C152F16-S123 PolarHBondContact O-N 3.33Å; D17-S123 WeakPolarHBondContact CA-OG 3.28Å; D17-S123 PolarHBondContact OD1-OG 2.91Å; D17-S123 VanDerWaalsContact OD1-OG 3.1Å; S123-C152 CarbonylContact C-O 3.51Å; S123-C152 VanDerWaalsContact CA-O 3.23Å; S123-C152 WeakPolarHBondContact CA-O 3.27Å
124E97.6Very high96.8Very high11 Ų1136.4 Ų36.45%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-138.9160168.968.6179.4139.800113N128 R133 L151 C152 K153 T154E124-N128 WeakPolarHBondContact OE2-CB 3.29Å; E124-N128 PolarHBondContact OE2-ND2 3.21Å; E124-R133 IonicContact OE1-CZ 3.59Å; E124-R133 IonicContact OE1-NH1 3.73Å; E124-R133 PolarHBondContact OE1-NH1 3.37Å; E124-R133 WeakPolarHBondContact OE2-CD 3.21Å; E124-R133 VanDerWaalsContact OE2-CG 3.27Å; E124-R133 WeakPolarHBondContact OE2-CG 3.28Å; E124-R133 IonicContact OE2-CZ 2.73Å; E124-R133 IonicContact OE2-NE 3.62Å; E124-R133 IonicContact OE2-NH1 2.73Å; E124-R133 PolarHBondContact OE2-NH1 3.26Å; E124-L151 HydrophobicContact CB-CD1 4.07Å; E124-L151 HydrophobicContact CB-CD2 4.31Å; E124-L151 HydrophobicContact CB-CG 4.07Å; E124-L151 VanDerWaalsContact CD-CG 3.46Å; E124-L151 HydrophobicContact CG-CD1 4.47Å; E124-L151 HydrophobicContact CG-CD2 4.26Å; E124-L151 HydrophobicContact CG-CG 3.96Å; E124-L151 WeakPolarHBondContact OE1-CD2 3.46Å; E124-L151 VanDerWaalsContact OE1-CG 3.28Å; E124-L151 WeakPolarHBondContact OE1-CG 3.5Å; E124-L151 WeakPolarHBondContact OE2-CD2 3.42Å; E124-C152 PolarHBondContact N-O 2.91Å; E124-K153 HydrophobicContact CG-CG 4.17Å; E124-K153 CarbonylContact O-C 3.49Å; E124-K153 WeakPolarHBondContact O-CA 3.38Å; E124-T154 WeakPolarHBondContact O-CG2 3.28Å; E124-T154 PolarHBondContact O-N 3.42Å
125A96.5Very high97Very high10 Ų1034.6 Ų34.68%0.08318%0.182CC..  trans-66.1138.8169.100000111.1W127 N128A125-W127 HydrophobicContact CB-CD2 4.13Å; A125-W127 HydrophobicContact CB-CG 4.5Å; A125-W127 HydrophobicContact CB-CH2 4.49Å; A125-W127 HydrophobicContact CB-CZ2 3.92Å; A125-W127 PolarHBondContact O-N 3.21Å; A125-W127 VanDerWaalsContact O-N 3.09Å; A125-N128 WeakPolarHBondContact O-CB 3.11Å; A125-N128 PolarHBondContact O-N 3.4Å
126P96.1Very high97.1Very high4 Ų434.4 Ų34.43%0.02618%0.179CC..THydrogen-bonded Turntrans-61.2-21.9179.5-26.133.5000116.1K153 A155 I180 V187 Q189 I192P126-K153 HydrophobicContact CB-CD 4.12Å; P126-K153 HydrophobicContact CB-CG 4.46Å; P126-K153 HydrophobicContact CG-CB 4.26Å; P126-A155 HydrophobicContact CG-CB 4.32Å; P126-I180 HydrophobicContact CB-CG2 4.48Å; P126-I180 HydrophobicContact CG-CD1 3.82Å; P126-I180 HydrophobicContact CG-CG1 4.23Å; P126-I180 HydrophobicContact CG-CG2 4.17Å; P126-V187 HydrophobicContact CB-CG1 4.12Å; P126-V187 HydrophobicContact CB-CG2 4.45Å; P126-Q189 PolarHBondContact O-NE2 3.35Å; P126-Q189 PolarHBondContact O-OE1 2.9Å; P126-I192 HydrophobicContact CB-CD1 3.84Å
127W95.5Very high97.2Very high52 Ų5232.4 Ų32.420%0.19717%0.165CC..THydrogen-bonded Turntrans-97.915.9177.156.381.2000113.1N90 A125 T178 I180 I192 K194N90-W127 PolarHBondContact O-NE1 3Å; A125-W127 HydrophobicContact CB-CD2 4.13Å; A125-W127 HydrophobicContact CB-CG 4.5Å; A125-W127 HydrophobicContact CB-CH2 4.49Å; A125-W127 HydrophobicContact CB-CZ2 3.92Å; A125-W127 PolarHBondContact O-N 3.21Å; A125-W127 VanDerWaalsContact O-N 3.09Å; W127-T178 HydrophobicContact CH2-CG2 3.56Å; W127-T178 HydrophobicContact CZ3-CG2 3.86Å; W127-I180 HydrophobicContact CZ3-CD1 4.11Å; W127-I192 HydrophobicContact CE3-CG2 3.92Å; W127-I192 HydrophobicContact CZ3-CG2 4.34Å; W127-K194 HydrophobicContact CD2-CD 3.72Å; W127-K194 HydrophobicContact CE3-CD 3.68Å; W127-K194 HydrophobicContact CE3-CG 4.42Å; W127-K194 HydrophobicContact CG-CD 4.42Å; W127-K194 HydrophobicContact CH2-CD 3.98Å; W127-K194 HydrophobicContact CZ2-CD 4Å; W127-K194 HydrophobicContact CZ3-CD 3.78Å; W127-K194 HydrophobicContact CZ3-CG 4.26Å
128N96.4Very high97.4Very high31 Ų3130.5 Ų30.517%0.16615%0.153CC..  trans-60.8150.5176.1-165.612.3000110.8E124 A125 K132 R133E124-N128 WeakPolarHBondContact OE2-CB 3.29Å; E124-N128 PolarHBondContact OE2-ND2 3.21Å; A125-N128 WeakPolarHBondContact O-CB 3.11Å; A125-N128 PolarHBondContact O-N 3.4Å; N128-K132 WeakPolarHBondContact OD1-CB 3.44Å; N128-R133 HydrophobicContact CB-CG 4.3Å; N128-R133 VanDerWaalsContact ND2-CG 3.34Å; N128-R133 WeakPolarHBondContact ND2-CG 3.48Å
129T96.9Very high97.5Very high61 Ų6130.5 Ų30.537%0.37415%0.154SC..  trans-90.9145.5-177.765.90000110.8M92 A131 K132 R133M92-T129 HydrophobicContact SD-CG2 4.3Å; T129-A131 VanDerWaalsContact C-N 3.26Å; T129-A131 PolarHBondContact O-N 2.9Å; T129-K132 PolarHBondContact O-N 2.99Å; T129-K132 WeakPolarHBondContact OG1-CB 3.49Å; T129-K132 VanDerWaalsContact OG1-CG 3.27Å; T129-K132 WeakPolarHBondContact OG1-CG 3.47Å; T129-K132 PolarHBondContact OG1-N 3.15Å; T129-R133 WeakPolarHBondContact O-CG 3.39Å; T129-R133 PolarHBondContact O-N 3.07Å
130R97.1Very high97.6Very high131 Ų13130.4 Ų30.449%0.49415%0.153SC..Hα-helixtrans-46.8-46.9173.3175.7172.1174.7-1792.5113.2K132 R133 E134 E425R130-K132 VanDerWaalsContact C-N 3.31Å; R130-K132 PolarHBondContact O-N 2.74Å; R130-R133 WeakPolarHBondContact O-CB 3.38Å; R130-R133 PolarHBondContact O-N 2.9Å; R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.37Å; R130-E134 IonicContact NE-OE1 2.75Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NH2-OE1 3.08Å; R130-E134 PolarHBondContact NH2-OE1 3.21Å; R130-E134 VanDerWaalsContact NH2-OE1 3.08Å; R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.27Å; R130-E134 PolarHBondContact O-N 3.39Å; R130-E425 HydrophobicContact CG-CG 3.91Å
131A97.8Very high97.6Very high69 Ų6930.6 Ų30.657%0.5715%0.154SC*.Hα-helixtrans-59.9-39.9-179.100000113T129 K135T129-A131 VanDerWaalsContact C-N 3.26Å; T129-A131 PolarHBondContact O-N 2.9Å; A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.03Å
132K98.2Very high97.6Very high30 Ų3036.5 Ų36.513%0.1318%0.182CC..Hα-helixtrans-73.3-36.5177.9-68.4-179.3-178.1-155.40112.1M92 V93 E94 W96 N128 T129 R130 K135 L136M92-K132 HydrophobicContact CB-CD 4.07Å; M92-K132 HydrophobicContact SD-CD 4.37Å; V93-K132 WeakPolarHBondContact O-CD 3.37Å; V93-K132 VanDerWaalsContact O-CE 3.29Å; V93-K132 WeakPolarHBondContact O-CE 3.34Å; V93-K132 PolarHBondContact O-NZ 2.67Å; E94-K132 IonicContact OE1-NZ 3.14Å; E94-K132 PolarHBondContact OE1-NZ 3.47Å; E94-K132 IonicContact OE2-NZ 2.61Å; E94-K132 PolarHBondContact OE2-NZ 3.3Å; W96-K132 WeakPolarHBondContact CH2-O 3.49Å; W96-K132 HydrophobicContact CZ2-CB 4.14Å; W96-K132 HydrophobicContact CZ2-CG 4.29Å; N128-K132 WeakPolarHBondContact OD1-CB 3.44Å; T129-K132 PolarHBondContact O-N 2.99Å; T129-K132 WeakPolarHBondContact OG1-CB 3.49Å; T129-K132 VanDerWaalsContact OG1-CG 3.27Å; T129-K132 WeakPolarHBondContact OG1-CG 3.47Å; T129-K132 PolarHBondContact OG1-N 3.15Å; R130-K132 VanDerWaalsContact C-N 3.31Å; R130-K132 PolarHBondContact O-N 2.74Å; K132-K135 PolarHBondContact O-N 3.27Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.73Å
133R98.1Very high97.6Very high11 Ų1141.2 Ų41.24%0.04220%0.204CC..Hα-helixtrans-62-50.7174.8-67.1165.551.9106.94110.9E124 N128 T129 R130 K135 L136 T137 L151 V424 E425 C428E124-R133 IonicContact OE1-CZ 3.59Å; E124-R133 IonicContact OE1-NH1 3.73Å; E124-R133 PolarHBondContact OE1-NH1 3.37Å; E124-R133 WeakPolarHBondContact OE2-CD 3.21Å; E124-R133 VanDerWaalsContact OE2-CG 3.27Å; E124-R133 WeakPolarHBondContact OE2-CG 3.28Å; E124-R133 IonicContact OE2-CZ 2.73Å; E124-R133 IonicContact OE2-NE 3.62Å; E124-R133 IonicContact OE2-NH1 2.73Å; E124-R133 PolarHBondContact OE2-NH1 3.26Å; N128-R133 HydrophobicContact CB-CG 4.3Å; N128-R133 VanDerWaalsContact ND2-CG 3.34Å; N128-R133 WeakPolarHBondContact ND2-CG 3.48Å; T129-R133 WeakPolarHBondContact O-CG 3.39Å; T129-R133 PolarHBondContact O-N 3.07Å; R130-R133 WeakPolarHBondContact O-CB 3.38Å; R130-R133 PolarHBondContact O-N 2.9Å; R133-K135 PolarHBondContact O-N 2.75Å; R133-L136 PolarHBondContact O-N 3.09Å; R133-T137 PolarHBondContact O-N 2.6Å; R133-T137 PolarHBondContact O-OG1 2.98Å; R133-T137 VanDerWaalsContact O-OG1 3.09Å; R133-L151 HydrophobicContact CB-CD2 4.08Å; R133-L151 HydrophobicContact CG-CD2 3.85Å; R133-V424 HydrophobicContact CB-CG1 4.2Å; R133-V424 PolarHBondContact NH2-O 3.35Å; R133-E425 WeakPolarHBondContact CD-OE1 3.34Å; R133-E425 IonicContact CZ-OE1 3.58Å; R133-E425 IonicContact NE-OE1 2.9Å; R133-E425 PolarHBondContact NE-OE1 2.77Å; R133-E425 IonicContact NE-OE2 2.68Å; R133-E425 IonicContact NH2-OE1 3.49Å; R133-C428 PolarHBondContact NH2-O 2.96Å
134E98.2Very high97.6Very high22 Ų2241.6 Ų41.610%0.10320%0.203CC..Hα-helixtrans-59.2-43.5175.8-74.4-177.1-174.300112.1R130 T137 E138 K421 V424R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.37Å; R130-E134 IonicContact NE-OE1 2.75Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NH2-OE1 3.08Å; R130-E134 PolarHBondContact NH2-OE1 3.21Å; R130-E134 VanDerWaalsContact NH2-OE1 3.08Å; R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.27Å; R130-E134 PolarHBondContact O-N 3.39Å; E134-T137 PolarHBondContact O-N 3.09Å; E134-E138 WeakPolarHBondContact O-CB 3.33Å; E134-E138 PolarHBondContact O-N 3.14Å; E134-K421 HydrophobicContact CB-CB 4.19Å; E134-K421 HydrophobicContact CB-CD 3.87Å; E134-K421 HydrophobicContact CB-CG 3.84Å; E134-K421 HydrophobicContact CG-CG 4.11Å; E134-V424 HydrophobicContact CG-CG1 4.33Å
135K98.3Very high97.6Very high95 Ų9544.5 Ų44.541%0.41322%0.219SC..Hα-helixtrans-64.9-38177.2-175.8168.6177.1-172.80112.8W96 A131 K132 R133 L139W96-K135 HydrophobicContact CD2-CD 3.73Å; W96-K135 VanDerWaalsContact CD2-CE 3.47Å; W96-K135 HydrophobicContact CD2-CG 4.09Å; W96-K135 VanDerWaalsContact CE2-CD 3.49Å; W96-K135 HydrophobicContact CE3-CD 4.3Å; W96-K135 HydrophobicContact CE3-CG 4.16Å; W96-K135 HydrophobicContact CG-CD 4.09Å; W96-K135 VanDerWaalsContact CG-CE 3.41Å; W96-K135 HydrophobicContact CH2-CB 3.97Å; W96-K135 HydrophobicContact CH2-CD 4.4Å; W96-K135 HydrophobicContact CH2-CG 3.97Å; W96-K135 HydrophobicContact CZ2-CB 3.94Å; W96-K135 HydrophobicContact CZ2-CD 3.85Å; W96-K135 HydrophobicContact CZ2-CG 3.9Å; W96-K135 HydrophobicContact CZ3-CG 4.11Å; A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.03Å; K132-K135 PolarHBondContact O-N 3.27Å; R133-K135 PolarHBondContact O-N 2.75Å; K135-L139 WeakPolarHBondContact O-CB 3.44Å; K135-L139 PolarHBondContact O-N 2.87Å
136L98.3Very high97.7Very high9 Ų944 Ų445%0.04722%0.215CC..Hα-helixtrans-64.7-44.7174.1179.759.5000111.2W96 F99 M122 K132 R133 E138 L139 M140 F149 L151W96-L136 HydrophobicContact CH2-CB 3.88Å; W96-L136 HydrophobicContact CZ3-CB 4.07Å; W96-L136 HydrophobicContact CZ3-CD1 4.24Å; F99-L136 HydrophobicContact CE1-CD1 3.67Å; F99-L136 HydrophobicContact CZ-CD1 4.05Å; M122-L136 HydrophobicContact CE-CD1 4.43Å; M122-L136 HydrophobicContact SD-CD1 3.82Å; M122-L136 HydrophobicContact SD-CD2 3.7Å; M122-L136 HydrophobicContact SD-CG 4.24Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.73Å; R133-L136 PolarHBondContact O-N 3.09Å; L136-E138 PolarHBondContact O-N 2.92Å; L136-L139 PolarHBondContact O-N 2.87Å; L136-M140 HydrophobicContact CD1-CG 4.14Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.03Å; L136-F149 HydrophobicContact CD2-CZ 4.26Å; L136-F149 HydrophobicContact CG-CZ 4.14Å; L136-L151 HydrophobicContact CD2-CD1 3.53Å; L136-L151 HydrophobicContact CD2-CD2 4.38Å
137T98.3Very high97.7Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-60.1-45.4177-59.60000111.7R133 E134 M140 F141 F149 Y416 V424R133-T137 PolarHBondContact O-N 2.6Å; R133-T137 PolarHBondContact O-OG1 2.98Å; R133-T137 VanDerWaalsContact O-OG1 3.09Å; E134-T137 PolarHBondContact O-N 3.09Å; T137-M140 PolarHBondContact O-N 3.38Å; T137-F141 HydrophobicContact CG2-CD2 3.72Å; T137-F141 HydrophobicContact CG2-CE2 3.85Å; T137-F141 WeakPolarHBondContact O-CD2 3.47Å; T137-F141 PolarHBondContact O-N 2.91Å; T137-F149 HydrophobicContact CG2-CD1 4.25Å; T137-Y416 HydrophobicContact CG2-CD2 3.94Å; T137-Y416 HydrophobicContact CG2-CE2 3.96Å; T137-V424 HydrophobicContact CG2-CB 4.46Å; T137-V424 WeakPolarHBondContact OG1-CB 3.33Å; T137-V424 WeakPolarHBondContact OG1-CG2 3.44Å
138E98.1Very high97.8Very high64 Ų6442.9 Ų42.930%0.29922%0.215SC..Hα-helixtrans-57.8-50.3174.7-177-178.9146.500111.5E134 L136 M140 F141 E142 K421E134-E138 WeakPolarHBondContact O-CB 3.33Å; E134-E138 PolarHBondContact O-N 3.14Å; L136-E138 PolarHBondContact O-N 2.92Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.84Å; E138-F141 PolarHBondContact O-N 3.42Å; E138-E142 HydrophobicContact CG-CG 4.37Å; E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.96Å; E138-K421 HydrophobicContact CB-CB 4.5Å; E138-K421 HydrophobicContact CB-CD 4.18Å; E138-K421 VanDerWaalsContact OE2-CD 3.24Å; E138-K421 WeakPolarHBondContact OE2-CD 3.36Å; E138-K421 IonicContact OE2-NZ 3.46Å; E138-K421 PolarHBondContact OE2-NZ 3.28Å
139L98.3Very high97.8Very high22 Ų2241.4 Ų41.412%0.11521%0.207CC..Iπ-helixtrans-54.8-48.4176.9174.965000111.7W96 F99 Q100 L103 K135 L136 H143 Y144W96-L139 HydrophobicContact CE3-CD2 4.25Å; W96-L139 HydrophobicContact CZ3-CD2 4.35Å; F99-L139 HydrophobicContact CD1-CD2 4.2Å; F99-L139 HydrophobicContact CE1-CD2 4.32Å; Q100-L139 HydrophobicContact CG-CD1 4.19Å; L103-L139 HydrophobicContact CD1-CD2 4.17Å; K135-L139 WeakPolarHBondContact O-CB 3.44Å; K135-L139 PolarHBondContact O-N 2.87Å; L136-L139 PolarHBondContact O-N 2.87Å; L139-H143 HydrophobicContact CD1-CB 3.79Å; L139-H143 WeakPolarHBondContact O-CA 3.14Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.13Å; L139-Y144 HydrophobicContact CD1-CE2 4.15Å; L139-Y144 HydrophobicContact CD2-CE2 4.42Å; L139-Y144 HydrophobicContact CG-CD2 4.31Å; L139-Y144 HydrophobicContact CG-CE2 4.05Å; L139-Y144 PolarHBondContact O-N 3.14Å
140M98.4Very high97.9Very high0 Ų039.1 Ų39.10%019%0.192CC..Iπ-helixtrans-68.1-42-175.5-67-54-5700112.8L103 V120 M122 L136 T137 E138 Y144 N145 I146 F149L103-M140 HydrophobicContact CD1-SD 3.89Å; V120-M140 HydrophobicContact CB-CE 4.29Å; V120-M140 HydrophobicContact CG1-CE 4.1Å; V120-M140 HydrophobicContact CG2-CE 4.06Å; M122-M140 HydrophobicContact CE-CE 4.39Å; M122-M140 HydrophobicContact CE-SD 3.95Å; L136-M140 HydrophobicContact CD1-CG 4.14Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.03Å; T137-M140 PolarHBondContact O-N 3.38Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.84Å; M140-Y144 HydrophobicContact CE-CD2 4.1Å; M140-Y144 HydrophobicContact CE-CG 4.35Å; M140-Y144 CarbonylContact O-C 3.56Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.33Å; M140-Y144 HydrophobicContact SD-CD2 3.72Å; M140-Y144 HydrophobicContact SD-CE2 4.2Å; M140-N145 PolarHBondContact O-N 2.89Å; M140-I146 HydrophobicContact CB-CD1 3.64Å; M140-I146 HydrophobicContact CB-CG1 4.26Å; M140-I146 HydrophobicContact CE-CD1 4.09Å; M140-I146 HydrophobicContact CE-CG2 4Å; M140-I146 WeakPolarHBondContact O-CG1 3.22Å; M140-I146 PolarHBondContact O-N 2.92Å; M140-F149 HydrophobicContact CB-CD2 4.28Å; M140-F149 HydrophobicContact CB-CE2 4.28Å; M140-F149 HydrophobicContact CG-CD2 4.31Å; M140-F149 HydrophobicContact CG-CE2 3.84Å; M140-F149 HydrophobicContact CG-CZ 4.13Å
141F98.4Very high97.9Very high4 Ų433 Ų332%0.01817%0.169CC..Iπ-helixtrans-78.7-39.8179.4-80-66.4000113.7T137 E138 N145 I146 F149 I411 K413 Y416T137-F141 HydrophobicContact CG2-CD2 3.72Å; T137-F141 HydrophobicContact CG2-CE2 3.85Å; T137-F141 WeakPolarHBondContact O-CD2 3.47Å; T137-F141 PolarHBondContact O-N 2.91Å; E138-F141 PolarHBondContact O-N 3.42Å; F141-N145 WeakPolarHBondContact O-CA 3.23Å; F141-N145 PolarHBondContact O-N 2.86Å; F141-I146 HydrophobicContact CD1-CG1 4.02Å; F141-I146 WeakPolarHBondContact CD1-O 3.48Å; F141-I146 HydrophobicContact CE1-CG1 4.15Å; F141-F149 HydrophobicContact CD2-CB 4.44Å; F141-F149 HydrophobicContact CE1-CB 4.35Å; F141-F149 HydrophobicContact CE2-CB 3.53Å; F141-F149 HydrophobicContact CE2-CD1 4.48Å; F141-F149 HydrophobicContact CE2-CG 4.36Å; F141-F149 HydrophobicContact CZ-CB 3.48Å; F141-F149 VanDerWaalsContact CZ-CB 3.48Å; F141-I411 HydrophobicContact CE2-CG2 4Å; F141-I411 HydrophobicContact CZ-CB 4.3Å; F141-I411 HydrophobicContact CZ-CG2 3.94Å; F141-I411 WeakPolarHBondContact CZ-O 3.35Å; F141-K413 HydrophobicContact CD1-CB 4.24Å; F141-K413 HydrophobicContact CD1-CG 4.22Å; F141-K413 HydrophobicContact CE1-CB 4.07Å; F141-Y416 HydrophobicContact CB-CD1 3.63Å; F141-Y416 HydrophobicContact CB-CD2 4.21Å; F141-Y416 HydrophobicContact CB-CE1 3.65Å; F141-Y416 HydrophobicContact CB-CE2 4.19Å; F141-Y416 HydrophobicContact CB-CG 3.93Å; F141-Y416 HydrophobicContact CD1-CD1 4.42Å; F141-Y416 HydrophobicContact CD1-CG 4.28Å; F141-Y416 HydrophobicContact CD2-CD1 4.1Å; F141-Y416 AromaticContact CD2-CD2 3.34Å; F141-Y416 HydrophobicContact CD2-CD2 3.34Å; F141-Y416 AromaticContact CD2-CE2 3.88Å; F141-Y416 HydrophobicContact CD2-CE2 3.88Å; F141-Y416 AromaticContact CD2-CG 3.47Å; F141-Y416 HydrophobicContact CD2-CG 3.47Å; F141-Y416 VanDerWaalsContact CD2-CG 3.47Å; F141-Y416 AromaticContact CE2-CD2 3.87Å; F141-Y416 HydrophobicContact CE2-CD2 3.87Å; F141-Y416 AromaticContact CE2-CG 3.96Å; F141-Y416 HydrophobicContact CE2-CG 3.96Å; F141-Y416 AromaticContact CG-CD1 3.82Å; F141-Y416 HydrophobicContact CG-CD1 3.82Å; F141-Y416 AromaticContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CE1 4.3Å; F141-Y416 HydrophobicContact CG-CE2 4.38Å; F141-Y416 AromaticContact CG-CG 3.64Å; F141-Y416 HydrophobicContact CG-CG 3.64Å
142E97.9Very high97.9Very high125 Ų12530.1 Ų30.158%0.58415%0.145SC*.Iπ-helixtrans-87.5-42.3-172.9-61.2-172.2-166.800112.4E138 Y416E138-E142 HydrophobicContact CG-CG 4.37Å; E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.96Å; E142-Y416 HydrophobicContact CG-CE1 4Å; E142-Y416 PolarHBondContact OE1-OH 3.17Å
143H97.8Very high97.9Very high102 Ų10229.2 Ų29.247%0.47214%0.141SC..Iπ-helixtrans-84.4-52.7-180-171.682.2000111.8Q100 L139Q100-H143 PolarHBondContact NE2-CE1 2.91Å; Q100-H143 PolarHBondContact NE2-NE2 3.48Å; L139-H143 HydrophobicContact CD1-CB 3.79Å; L139-H143 WeakPolarHBondContact O-CA 3.14Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.13Å
144Y98Very high97.8Very high20 Ų2030 Ų308%0.07815%0.146CC..SBendtrans-84.9-10.1-177.7-67.4-72.7000113.9Q100 L103 D104 Y107 A115 L139 M140 I146Q100-Y144 HydrophobicContact CG-CE2 4.42Å; Q100-Y144 VanDerWaalsContact CG-OH 3.25Å; Q100-Y144 WeakPolarHBondContact CG-OH 3.42Å; Q100-Y144 PolarHBondContact O-OH 2.88Å; L103-Y144 HydrophobicContact CB-CE1 4.44Å; L103-Y144 HydrophobicContact CB-CE2 4.09Å; L103-Y144 WeakPolarHBondContact CB-OH 3.44Å; L103-Y144 HydrophobicContact CD1-CD2 4.48Å; L103-Y144 HydrophobicContact CD1-CE2 3.63Å; D104-Y144 PolarHBondContact N-OH 3.45Å; D104-Y144 VanDerWaalsContact OD1-CE1 3.23Å; D104-Y144 WeakPolarHBondContact OD1-CE1 3.37Å; D104-Y144 VanDerWaalsContact OD1-CZ 3.3Å; D104-Y144 PolarHBondContact OD1-OH 3.23Å; Y107-Y144 HydrophobicContact CD2-CD1 4.02Å; Y107-Y144 AromaticContact CD2-CE1 3.9Å; Y107-Y144 HydrophobicContact CD2-CE1 3.9Å; Y107-Y144 AromaticContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CE1 4.1Å; Y107-Y144 HydrophobicContact CE2-CG 4.36Å; A115-Y144 HydrophobicContact CB-CD1 4.11Å; A115-Y144 HydrophobicContact CB-CG 4.45Å; A115-Y144 WeakPolarHBondContact CB-O 3.34Å; L139-Y144 HydrophobicContact CD1-CE2 4.15Å; L139-Y144 HydrophobicContact CD2-CE2 4.42Å; L139-Y144 HydrophobicContact CG-CD2 4.31Å; L139-Y144 HydrophobicContact CG-CE2 4.05Å; L139-Y144 PolarHBondContact O-N 3.14Å; M140-Y144 HydrophobicContact CE-CD2 4.1Å; M140-Y144 HydrophobicContact CE-CG 4.35Å; M140-Y144 CarbonylContact O-C 3.56Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.33Å; M140-Y144 HydrophobicContact SD-CD2 3.72Å; M140-Y144 HydrophobicContact SD-CE2 4.2Å; Y144-I146 PolarHBondContact O-N 2.87Å
145N97.8Very high97.8Very high72 Ų7229 Ų2939%0.38514%0.142SC..  trans54.136.2175.8-170.535.8000113.5S116 M140 F141 K413S116-N145 VanDerWaalsContact CA-O 3.31Å; S116-N145 WeakPolarHBondContact CA-O 3.1Å; M140-N145 PolarHBondContact O-N 2.89Å; F141-N145 WeakPolarHBondContact O-CA 3.23Å; F141-N145 PolarHBondContact O-N 2.86Å; N145-K413 WeakPolarHBondContact OD1-CE 3.26Å; N145-K413 PolarHBondContact OD1-NZ 2.89Å
146I97.6Very high97.8Very high0 Ų025.6 Ų25.60%013%0.129CC..  trans-67.4147.2-177.767.4174.4000111.3A115 V120 M140 F141 Y144 F149A115-I146 HydrophobicContact CB-CG2 4.2Å; V120-I146 HydrophobicContact CB-CD1 3.86Å; V120-I146 HydrophobicContact CG2-CB 4.45Å; V120-I146 HydrophobicContact CG2-CD1 4.11Å; V120-I146 HydrophobicContact CG2-CG2 3.92Å; M140-I146 HydrophobicContact CB-CD1 3.64Å; M140-I146 HydrophobicContact CB-CG1 4.26Å; M140-I146 HydrophobicContact CE-CD1 4.09Å; M140-I146 HydrophobicContact CE-CG2 4Å; M140-I146 WeakPolarHBondContact O-CG1 3.22Å; M140-I146 PolarHBondContact O-N 2.92Å; F141-I146 HydrophobicContact CD1-CG1 4.02Å; F141-I146 WeakPolarHBondContact CD1-O 3.48Å; F141-I146 HydrophobicContact CE1-CG1 4.15Å; Y144-I146 PolarHBondContact O-N 2.87Å; I146-F149 HydrophobicContact CD1-CB 3.69Å; I146-F149 HydrophobicContact CD1-CD2 3.52Å; I146-F149 HydrophobicContact CD1-CE2 4.49Å; I146-F149 HydrophobicContact CD1-CG 3.92Å
147P96.6Very high97.7Very high28 Ų2825.2 Ų25.218%0.18213%0.127CC..SBendtrans-76-29.7-176.629-34.8000113.3Y6 S116 H118 P119 K413Y6-P147 HydrophobicContact CE2-CB 4.47Å; Y6-P147 VanDerWaalsContact OH-CB 3.26Å; Y6-P147 WeakPolarHBondContact OH-CB 3.06Å; Y6-P147 WeakPolarHBondContact OH-CG 3.29Å; S116-P147 WeakPolarHBondContact O-CD 3.45Å; H118-P147 WeakPolarHBondContact O-CD 3.44Å; P119-P147 HydrophobicContact CG-CG 4.12Å; P147-K413 WeakPolarHBondContact O-CB 3.47Å; P147-K413 PolarHBondContact O-N 3.13Å
148A97Very high97.7Very high5 Ų525.5 Ų25.54%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-154.7150.8176.700000111.5P119 V120 W410 I411P119-A148 CarbonylContact C-O 3.25Å; P119-A148 VanDerWaalsContact CA-O 3.3Å; P119-A148 WeakPolarHBondContact CA-O 3.23Å; P119-A148 HydrophobicContact CB-CB 4.13Å; P119-A148 HydrophobicContact CG-CB 4.47Å; V120-A148 PolarHBondContact N-O 2.78Å; A148-W410 HydrophobicContact CB-CB 3.94Å; A148-W410 HydrophobicContact CB-CD2 4.47Å; A148-W410 HydrophobicContact CB-CE3 4.45Å; A148-W410 HydrophobicContact CB-CG 4.27Å; A148-I411 CarbonylContact C-O 3.56Å; A148-I411 WeakPolarHBondContact CA-O 3.13Å; A148-I411 WeakPolarHBondContact CB-O 3.47Å
149F97.8Very high97.6Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-134.1145.3-176-169.6-123.6000111.7V120 M122 L136 T137 M140 F141 I146 L151 I411V120-F149 HydrophobicContact CB-CD2 4.12Å; V120-F149 HydrophobicContact CB-CE2 4.49Å; V120-F149 HydrophobicContact CG1-CD2 4.25Å; V120-F149 HydrophobicContact CG1-CE2 4.13Å; V120-F149 WeakPolarHBondContact O-CA 3.28Å; V120-F149 WeakPolarHBondContact O-CD2 3.19Å; M122-F149 HydrophobicContact CB-CE2 3.96Å; M122-F149 HydrophobicContact CB-CZ 4.15Å; L136-F149 HydrophobicContact CD2-CZ 4.26Å; L136-F149 HydrophobicContact CG-CZ 4.14Å; T137-F149 HydrophobicContact CG2-CD1 4.25Å; M140-F149 HydrophobicContact CB-CD2 4.28Å; M140-F149 HydrophobicContact CB-CE2 4.28Å; M140-F149 HydrophobicContact CG-CD2 4.31Å; M140-F149 HydrophobicContact CG-CE2 3.84Å; M140-F149 HydrophobicContact CG-CZ 4.13Å; F141-F149 HydrophobicContact CD2-CB 4.44Å; F141-F149 HydrophobicContact CE1-CB 4.35Å; F141-F149 HydrophobicContact CE2-CB 3.53Å; F141-F149 HydrophobicContact CE2-CD1 4.48Å; F141-F149 HydrophobicContact CE2-CG 4.36Å; F141-F149 HydrophobicContact CZ-CB 3.48Å; F141-F149 VanDerWaalsContact CZ-CB 3.48Å; I146-F149 HydrophobicContact CD1-CB 3.69Å; I146-F149 HydrophobicContact CD1-CD2 3.52Å; I146-F149 HydrophobicContact CD1-CE2 4.49Å; I146-F149 HydrophobicContact CD1-CG 3.92Å; F149-L151 HydrophobicContact CE1-CB 4.03Å; F149-L151 HydrophobicContact CE1-CD1 4.4Å; F149-L151 HydrophobicContact CZ-CB 4.34Å; F149-L151 HydrophobicContact CZ-CD1 3.99Å; F149-I411 PolarHBondContact N-O 2.97Å; F149-I411 WeakPolarHBondContact O-CB 3.36Å; F149-I411 PolarHBondContact O-N 3.31Å
150F97.8Very high97.4Very high13 Ų1324.7 Ų24.76%0.05712%0.124CC..EExtended strand (participates in β ladder)trans-144128.5166.1-164.9-90.7000110.2V120 L121 M122 C152 F406 M409 W410 K427 C428V120-F150 PolarHBondContact O-N 2.51Å; L121-F150 CarbonylContact C-O 3.58Å; L121-F150 VanDerWaalsContact CA-O 3.3Å; L121-F150 WeakPolarHBondContact CA-O 3.1Å; L121-F150 HydrophobicContact CD1-CD1 4.38Å; M122-F150 PolarHBondContact N-O 3.16Å; F150-C152 HydrophobicContact CD1-CB 3.98Å; F150-C152 HydrophobicContact CE1-CB 3.85Å; F150-F406 HydrophobicContact CB-CE1 4.32Å; F150-F406 HydrophobicContact CB-CZ 4.02Å; F150-F406 HydrophobicContact CD1-CE2 4.26Å; F150-F406 AromaticContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD2-CE2 4.43Å; F150-F406 AromaticContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CE1-CE2 4.12Å; F150-F406 AromaticContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE2-CE2 4.32Å; F150-F406 HydrophobicContact CE2-CZ 4.2Å; F150-F406 HydrophobicContact CG-CE1 4.31Å; F150-F406 HydrophobicContact CG-CE2 4.4Å; F150-F406 AromaticContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CZ-CE2 4.16Å; F150-F406 HydrophobicContact CZ-CZ 4.2Å; F150-M409 HydrophobicContact CD2-CB 4.34Å; F150-M409 WeakPolarHBondContact CD2-O 3.42Å; F150-M409 HydrophobicContact CE2-CB 4Å; F150-M409 HydrophobicContact CE2-CE 4.27Å; F150-W410 HydrophobicContact CB-CD2 4.47Å; F150-W410 HydrophobicContact CB-CE3 3.51Å; F150-W410 HydrophobicContact CB-CZ3 3.55Å; F150-K427 WeakPolarHBondContact CE2-O 3.34Å; F150-C428 WeakPolarHBondContact CD2-SG 3.32Å; F150-C428 VanDerWaalsContact CE2-SG 3.6Å
151L97.9Very high97.2Very high1 Ų125.8 Ų25.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-101.1129.1175.1-164.166.1000108.6M122 E124 R133 L136 F149 V424 C428M122-L151 HydrophobicContact CB-CD1 3.99Å; M122-L151 HydrophobicContact CG-CD1 4.43Å; M122-L151 WeakPolarHBondContact O-CA 3.42Å; E124-L151 HydrophobicContact CB-CD1 4.07Å; E124-L151 HydrophobicContact CB-CD2 4.31Å; E124-L151 HydrophobicContact CB-CG 4.07Å; E124-L151 VanDerWaalsContact CD-CG 3.46Å; E124-L151 HydrophobicContact CG-CD1 4.47Å; E124-L151 HydrophobicContact CG-CD2 4.26Å; E124-L151 HydrophobicContact CG-CG 3.96Å; E124-L151 WeakPolarHBondContact OE1-CD2 3.46Å; E124-L151 VanDerWaalsContact OE1-CG 3.28Å; E124-L151 WeakPolarHBondContact OE1-CG 3.5Å; E124-L151 WeakPolarHBondContact OE2-CD2 3.42Å; R133-L151 HydrophobicContact CB-CD2 4.08Å; R133-L151 HydrophobicContact CG-CD2 3.85Å; L136-L151 HydrophobicContact CD2-CD1 3.53Å; L136-L151 HydrophobicContact CD2-CD2 4.38Å; F149-L151 HydrophobicContact CE1-CB 4.03Å; F149-L151 HydrophobicContact CE1-CD1 4.4Å; F149-L151 HydrophobicContact CZ-CB 4.34Å; F149-L151 HydrophobicContact CZ-CD1 3.99Å; L151-V424 HydrophobicContact CB-CG2 4.03Å; L151-V424 HydrophobicContact CD2-CG2 4.21Å; L151-C428 HydrophobicContact CB-CB 4.28Å; L151-C428 PolarHBondContact N-SG 2.8Å; L151-C428 VanDerWaalsContact N-SG 3.38Å; L151-C428 WeakPolarHBondContact O-CB 3.48Å
152C97.6Very high97Very high10 Ų1027 Ų277%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-133.3135.6-176.4-1640000111.8M122 S123 E124 F150 T154 L157M122-C152 PolarHBondContact O-N 2.83Å; S123-C152 CarbonylContact C-O 3.51Å; S123-C152 VanDerWaalsContact CA-O 3.23Å; S123-C152 WeakPolarHBondContact CA-O 3.27Å; E124-C152 PolarHBondContact N-O 2.91Å; F150-C152 HydrophobicContact CD1-CB 3.98Å; F150-C152 HydrophobicContact CE1-CB 3.85Å; C152-T154 PolarHBondContact O-N 3.11Å; C152-L157 HydrophobicContact CB-CD1 4.16Å; C152-L157 HydrophobicContact CB-CD2 3.75Å; C152-L157 HydrophobicContact CB-CG 3.98Å; C152-L157 WeakPolarHBondContact SG-CD2 3.43Å
153K97.5Very high96.8Very high11 Ų1124.3 Ų24.35%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-65.6133.2179-65.7176-177.7133.50110.4E124 P126 A155 V156 L157 V187 P429E124-K153 HydrophobicContact CG-CG 4.17Å; E124-K153 CarbonylContact O-C 3.49Å; E124-K153 WeakPolarHBondContact O-CA 3.38Å; P126-K153 HydrophobicContact CB-CD 4.12Å; P126-K153 HydrophobicContact CB-CG 4.46Å; P126-K153 HydrophobicContact CG-CB 4.26Å; K153-A155 PolarHBondContact O-N 2.88Å; K153-A155 VanDerWaalsContact O-N 3.13Å; K153-V156 HydrophobicContact CB-CG2 4.22Å; K153-V156 PolarHBondContact O-N 3.24Å; K153-L157 PolarHBondContact O-N 2.86Å; K153-V187 HydrophobicContact CB-CG2 4.06Å; K153-V187 HydrophobicContact CD-CB 3.87Å; K153-V187 HydrophobicContact CD-CG2 3.58Å; K153-V187 HydrophobicContact CG-CG2 4.48Å; K153-P429 PolarHBondContact NZ-O 2.8Å; K153-P429 PolarHBondContact NZ-OXT 2.91Å
154T97.1Very high96.7Very high26 Ų2624.3 Ų24.316%0.1614%0.142CC..Hα-helixtrans-51.1-41.4-177.850.40000113E124 C152 V156 L157 T158E124-T154 WeakPolarHBondContact O-CG2 3.28Å; E124-T154 PolarHBondContact O-N 3.42Å; C152-T154 PolarHBondContact O-N 3.11Å; T154-V156 PolarHBondContact O-N 2.85Å; T154-L157 PolarHBondContact O-N 3.42Å; T154-T158 PolarHBondContact O-N 3.37Å; T154-T158 PolarHBondContact O-OG1 3.19Å; T154-T158 VanDerWaalsContact O-OG1 3.11Å
155A97.5Very high96.5Very high1 Ų126.6 Ų26.61%0.00816%0.16CC..Hα-helixtrans-61.3-39.7177.900000113.5P126 K153 L157 T158 A159 I169 I180 V182 V187P126-A155 HydrophobicContact CG-CB 4.32Å; K153-A155 PolarHBondContact O-N 2.88Å; K153-A155 VanDerWaalsContact O-N 3.13Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-T158 PolarHBondContact O-N 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.35Å; A155-I169 HydrophobicContact CB-CB 4.1Å; A155-I169 HydrophobicContact CB-CG1 3.9Å; A155-I169 HydrophobicContact CB-CG2 4.48Å; A155-I169 WeakPolarHBondContact O-CG1 3.18Å; A155-I180 HydrophobicContact CB-CB 3.79Å; A155-I180 HydrophobicContact CB-CD1 4.05Å; A155-I180 HydrophobicContact CB-CG1 4.49Å; A155-I180 HydrophobicContact CB-CG2 3.43Å; A155-I180 VanDerWaalsContact CB-CG2 3.43Å; A155-V182 HydrophobicContact CB-CG2 3.87Å; A155-V187 HydrophobicContact CB-CG2 4.22Å
156V97.5Very high96.4Very high24 Ų2424.5 Ų24.515%0.14515%0.151CC..Hα-helixtrans-65.7-44177.3179.90000109.7K153 T154 T158 A159 F160 V182 G185 V187K153-V156 HydrophobicContact CB-CG2 4.22Å; K153-V156 PolarHBondContact O-N 3.24Å; T154-V156 PolarHBondContact O-N 2.85Å; V156-T158 PolarHBondContact O-N 3.14Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 2.9Å; V156-F160 WeakPolarHBondContact O-CB 3.24Å; V156-F160 PolarHBondContact O-N 3.37Å; V156-V182 HydrophobicContact CG2-CG1 4.42Å; V156-G185 WeakPolarHBondContact CG1-O 3.41Å; V156-G185 WeakPolarHBondContact CG2-O 3.35Å; V156-V187 HydrophobicContact CG2-CG2 3.74Å
157L97.4Very high96.3Very high1 Ų124.5 Ų24.51%0.00515%0.151CC..Hα-helixtrans-60.7-46.6176.3-59.9178.7000111.5L121 C152 K153 T154 A155 A159 F160 A161 S393 G396 L400L121-L157 HydrophobicContact CD2-CD1 4.16Å; L121-L157 HydrophobicContact CD2-CD2 4.3Å; C152-L157 HydrophobicContact CB-CD1 4.16Å; C152-L157 HydrophobicContact CB-CD2 3.75Å; C152-L157 HydrophobicContact CB-CG 3.98Å; C152-L157 WeakPolarHBondContact SG-CD2 3.43Å; K153-L157 PolarHBondContact O-N 2.86Å; T154-L157 PolarHBondContact O-N 3.42Å; A155-L157 VanDerWaalsContact C-N 3.35Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.97Å; L157-F160 WeakPolarHBondContact O-CB 3.44Å; L157-F160 PolarHBondContact O-N 2.91Å; L157-F160 VanDerWaalsContact O-N 3.14Å; L157-A161 PolarHBondContact O-N 3.42Å; L157-S393 VanDerWaalsContact CB-O 3.28Å; L157-S393 WeakPolarHBondContact CB-O 3.39Å; L157-S393 WeakPolarHBondContact CD1-O 3.4Å; L157-G396 VanDerWaalsContact O-CA 3.23Å; L157-G396 WeakPolarHBondContact O-CA 3.24Å; L157-L400 HydrophobicContact CD2-CD2 3.92Å
158T97.1Very high96.4Very high6 Ų623.2 Ų23.24%0.03714%0.142CC..Hα-helixtrans-60.8-40.4175.8-62.50000112.5T154 A155 V156 F160 N162 I169 I349 A351 S392T154-T158 PolarHBondContact O-N 3.37Å; T154-T158 PolarHBondContact O-OG1 3.19Å; T154-T158 VanDerWaalsContact O-OG1 3.11Å; A155-T158 PolarHBondContact O-N 3.26Å; V156-T158 PolarHBondContact O-N 3.14Å; T158-F160 VanDerWaalsContact C-N 3.32Å; T158-N162 PolarHBondContact O-N 3.47Å; T158-N162 PolarHBondContact O-ND2 2.86Å; T158-I169 HydrophobicContact CG2-CD1 4.11Å; T158-I169 HydrophobicContact CG2-CG2 3.6Å; T158-I349 HydrophobicContact CG2-CG2 3.9Å; T158-A351 HydrophobicContact CG2-CB 3.95Å; T158-S392 WeakPolarHBondContact CG2-OG 3.38Å
159A96.5Very high96.5Very high1 Ų123 Ų231%0.00814%0.14CC..Hα-helixtrans-61.4-44.6173.900000110.9A155 V156 L157 N162 G163 R164 I169 V182A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.35Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 2.9Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.97Å; A159-N162 CarbonylContact O-C 3.26Å; A159-N162 PolarHBondContact O-N 2.71Å; A159-N162 VanDerWaalsContact O-N 3.12Å; A159-G163 PolarHBondContact O-N 2.79Å; A159-R164 CarbonylContact C-O 3.58Å; A159-R164 VanDerWaalsContact C-O 3.25Å; A159-R164 VanDerWaalsContact CB-O 3.31Å; A159-R164 WeakPolarHBondContact CB-O 3.36Å; A159-R164 PolarHBondContact O-N 3.4Å; A159-I169 HydrophobicContact CB-CD1 3.95Å; A159-V182 HydrophobicContact CB-CB 4.39Å; A159-V182 HydrophobicContact CB-CG1 4.2Å; A159-V182 HydrophobicContact CB-CG2 4.43Å
160F94.1Very high96.5Very high68 Ų6823 Ų2330%0.29814%0.14SC..Hα-helixtrans-63.5-42.9179.8-155.4-105.3000112.7V156 L157 T158 N162 G163 I399 L400 L403V156-F160 WeakPolarHBondContact O-CB 3.24Å; V156-F160 PolarHBondContact O-N 3.37Å; L157-F160 WeakPolarHBondContact O-CB 3.44Å; L157-F160 PolarHBondContact O-N 2.91Å; L157-F160 VanDerWaalsContact O-N 3.14Å; T158-F160 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.01Å; F160-N162 VanDerWaalsContact O-N 3.1Å; F160-G163 PolarHBondContact O-N 2.85Å; F160-I399 HydrophobicContact CD1-CB 4.19Å; F160-I399 HydrophobicContact CD1-CG2 4.09Å; F160-I399 HydrophobicContact CE1-CB 4.14Å; F160-I399 HydrophobicContact CE1-CG2 3.65Å; F160-L400 HydrophobicContact CD1-CB 3.93Å; F160-L400 HydrophobicContact CD1-CD1 4.44Å; F160-L400 HydrophobicContact CE1-CB 3.9Å; F160-L400 HydrophobicContact CE1-CD1 3.99Å; F160-L400 HydrophobicContact CE2-CD1 4.3Å; F160-L400 HydrophobicContact CZ-CD1 3.93Å; F160-L403 HydrophobicContact CE1-CD1 3.7Å; F160-L403 HydrophobicContact CZ-CD1 3.38Å
161A95Very high96.5Very high24 Ų2424.7 Ų24.720%0.19815%0.15CC..Hα-helixtrans-56.8-26.1174.700000113.1L157 S392 I395L157-A161 PolarHBondContact O-N 3.42Å; A161-S392 VanDerWaalsContact CB-O 3.28Å; A161-S392 WeakPolarHBondContact CB-O 3.36Å; A161-I395 HydrophobicContact CB-CB 4.32Å; A161-I395 HydrophobicContact CB-CG2 4.09Å
162N94.4Very high96.5Very high29 Ų2924.6 Ų24.616%0.15515%0.149CC..THydrogen-bonded Turntrans-100.39178.7-71.9-90000113T158 A159 F160 R164 I349 N383T158-N162 PolarHBondContact O-N 3.47Å; T158-N162 PolarHBondContact O-ND2 2.86Å; A159-N162 CarbonylContact O-C 3.26Å; A159-N162 PolarHBondContact O-N 2.71Å; A159-N162 VanDerWaalsContact O-N 3.12Å; F160-N162 PolarHBondContact O-N 3.01Å; F160-N162 VanDerWaalsContact O-N 3.1Å; N162-R164 VanDerWaalsContact C-N 3.33Å; N162-R164 HydrophobicContact CB-CG 4.48Å; N162-R164 PolarHBondContact O-N 3.45Å; N162-I349 HydrophobicContact CB-CD1 3.81Å; N162-I349 HydrophobicContact CB-CG1 4.38Å; N162-I349 WeakPolarHBondContact ND2-CG2 3.4Å; N162-N383 PolarHBondContact OD1-ND2 3.36Å; N162-N383 VanDerWaalsContact OD1-ND2 3.15Å; N162-N383 PolarHBondContact OD1-OD1 3.38Å
163G93.8Very high96.4Very high69 Ų6924.9 Ų24.971%0.71115%0.154SC*.THydrogen-bonded Turntrans64.933.9-179.700000113.5A159 F160A159-G163 PolarHBondContact O-N 2.79Å; F160-G163 PolarHBondContact O-N 2.85Å
164R94.7Very high96.3Very high101 Ų10125.4 Ų25.438%0.38116%0.16SC..  trans-122.8127.9-177.9-62.2-69.5175.9-176-10110.5A159 N162 I349A159-R164 CarbonylContact C-O 3.58Å; A159-R164 VanDerWaalsContact C-O 3.25Å; A159-R164 VanDerWaalsContact CB-O 3.31Å; A159-R164 WeakPolarHBondContact CB-O 3.36Å; A159-R164 PolarHBondContact O-N 3.4Å; N162-R164 VanDerWaalsContact C-N 3.33Å; N162-R164 HydrophobicContact CB-CG 4.48Å; N162-R164 PolarHBondContact O-N 3.45Å; R164-I349 HydrophobicContact CB-CD1 4.16Å; R164-I349 HydrophobicContact CG-CD1 4.12Å
165S93.7Very high96.2Very high68 Ų6825.8 Ų25.848%0.47616%0.163SC..SBendtrans-86.2-26.2167.8580000112.5D184 G185S165-D184 PolarHBondContact O-N 3.02Å; S165-D184 VanDerWaalsContact O-N 3.11Å; S165-G185 PolarHBondContact O-N 3.41Å
166T95.3Very high96.1Very high29 Ų2927.3 Ų27.318%0.17817%0.17CC..SBendtrans-127.8132.3179-66.70000110.2V182 H183 D184T166-V182 CarbonylContact C-O 3.53Å; T166-V182 VanDerWaalsContact CA-O 3.26Å; T166-V182 WeakPolarHBondContact CA-O 3.2Å; T166-H183 PolarHBondContact OG1-ND1 2.94Å; T166-D184 PolarHBondContact OG1-N 3.49Å; T166-D184 PolarHBondContact OG1-OD1 3.09Å
167G97.1Very high96.1Very high0 Ų026.2 Ų26.20%016%0.163CC..EExtended strand (participates in β ladder)trans170.7170.9178.600000112.1V182 L344 S347G167-V182 PolarHBondContact N-O 2.84Å; G167-V182 PolarHBondContact O-N 2.94Å; G167-V182 VanDerWaalsContact O-O 3.04Å; G167-L344 WeakPolarHBondContact O-CD2 3.44Å; G167-S347 CarbonylContact C-O 3.53Å; G167-S347 VanDerWaalsContact CA-O 3.24Å; G167-S347 WeakPolarHBondContact CA-O 3.39Å
168L98.5Very high96.1Very high0 Ų026.4 Ų26.40%016%0.164CC..EExtended strand (participates in β ladder)trans-101.9124.4172.9-173.481000109.5A179 P181 V329 S332 V333 L344 S347 V348 I349L168-A179 HydrophobicContact CD1-CB 4.29Å; L168-A179 HydrophobicContact CD2-CB 4.22Å; L168-A179 HydrophobicContact CG-CB 4.41Å; L168-P181 HydrophobicContact CD1-CB 3.96Å; L168-V329 HydrophobicContact CD2-CB 3.99Å; L168-V329 HydrophobicContact CD2-CG1 3.49Å; L168-V329 VanDerWaalsContact CD2-CG1 3.49Å; L168-V329 HydrophobicContact CD2-CG2 3.98Å; L168-S332 VanDerWaalsContact CD1-OG 3.27Å; L168-S332 WeakPolarHBondContact CD1-OG 3.44Å; L168-V333 HydrophobicContact CD1-CG2 4.27Å; L168-V333 HydrophobicContact CD2-CG2 3.93Å; L168-L344 HydrophobicContact CB-CB 4.42Å; L168-S347 PolarHBondContact N-O 2.92Å; L168-V348 HydrophobicContact CB-CG2 4.38Å; L168-V348 HydrophobicContact CD2-CG1 4.36Å; L168-V348 HydrophobicContact CD2-CG2 4.45Å; L168-V348 CarbonylContact O-C 3.43Å; L168-V348 WeakPolarHBondContact O-CA 3.41Å; L168-I349 PolarHBondContact O-N 2.85Å
169I98.3Very high96.2Very high1 Ų126.1 Ų26.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-94114176.1-50.5-50.1000109.1A155 T158 A159 A179 I180 V182 I349A155-I169 HydrophobicContact CB-CB 4.1Å; A155-I169 HydrophobicContact CB-CG1 3.9Å; A155-I169 HydrophobicContact CB-CG2 4.48Å; A155-I169 WeakPolarHBondContact O-CG1 3.18Å; T158-I169 HydrophobicContact CG2-CD1 4.11Å; T158-I169 HydrophobicContact CG2-CG2 3.6Å; A159-I169 HydrophobicContact CB-CD1 3.95Å; I169-A179 CarbonylContact O-C 3.52Å; I169-A179 VanDerWaalsContact O-CA 3.29Å; I169-A179 WeakPolarHBondContact O-CA 3.35Å; I169-I180 PolarHBondContact N-O 3.44Å; I169-I180 PolarHBondContact O-N 3.43Å; I169-V182 HydrophobicContact CG1-CG2 3.94Å; I169-I349 HydrophobicContact CD1-CB 3.76Å; I169-I349 HydrophobicContact CD1-CD1 3.61Å; I169-I349 HydrophobicContact CD1-CG1 4.19Å; I169-I349 HydrophobicContact CD1-CG2 4.3Å
170L98.3Very high96.3Very high0 Ų026.1 Ų26.10%016%0.162CC..EExtended strand (participates in β ladder)trans-97.4105.8167.8178.167.9000109.1T177 T178 V325 V329 I349 V350 A351 L364L170-T177 HydrophobicContact CD1-CG2 3.71Å; L170-T178 CarbonylContact C-O 3.59Å; L170-T178 VanDerWaalsContact CA-O 3.29Å; L170-T178 WeakPolarHBondContact CA-O 3.48Å; L170-V325 HydrophobicContact CD1-CG1 4.03Å; L170-V325 HydrophobicContact CD2-CG1 3.54Å; L170-V325 HydrophobicContact CG-CG1 4.32Å; L170-V329 HydrophobicContact CB-CG2 4.29Å; L170-V329 HydrophobicContact CD1-CG2 3.85Å; L170-V329 HydrophobicContact CD2-CG2 4.03Å; L170-V329 HydrophobicContact CG-CG2 4.28Å; L170-I349 PolarHBondContact N-O 2.55Å; L170-V350 HydrophobicContact CD2-CG2 4.48Å; L170-V350 WeakPolarHBondContact O-CA 3.4Å; L170-A351 PolarHBondContact O-N 2.59Å; L170-L364 HydrophobicContact CD2-CD1 4.18Å; L170-L364 HydrophobicContact CD2-CD2 3.26Å; L170-L364 HydrophobicContact CD2-CG 4.35Å
171D97.1Very high96.5Very high48 Ų4822.9 Ų22.926%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-107.4119.5174.6179.614.6000110.3T177 T178 A351 G352D171-T177 CarbonylContact O-C 3.51Å; D171-T177 VanDerWaalsContact O-CA 3.25Å; D171-T177 WeakPolarHBondContact O-CA 3.41Å; D171-T178 PolarHBondContact N-O 3.04Å; D171-T178 PolarHBondContact O-N 3.03Å; D171-A351 VanDerWaalsContact CA-O 3.31Å; D171-A351 WeakPolarHBondContact CA-O 3.41Å; D171-G352 WeakPolarHBondContact OD1-CA 3.44Å
172S97.2Very high96.6Very high0 Ų021.8 Ų21.80%014%0.139CC..EExtended strand (participates in β ladder)trans-109.690.4171.5-166.90000111T177 A351 G352 G353 N354S172-T177 PolarHBondContact OG-OG1 3.44Å; S172-A351 PolarHBondContact N-O 3.5Å; S172-G352 CarbonylContact O-C 3.59Å; S172-G352 VanDerWaalsContact O-C 3.26Å; S172-G352 WeakPolarHBondContact O-CA 3.49Å; S172-G353 PolarHBondContact O-N 3.32Å; S172-G353 VanDerWaalsContact O-N 3.17Å; S172-N354 PolarHBondContact O-N 2.82Å; S172-N354 PolarHBondContact O-ND2 3.5Å; S172-N354 WeakPolarHBondContact OG-CB 3.35Å; S172-N354 PolarHBondContact OG-ND2 2.85Å; S172-N354 VanDerWaalsContact OG-ND2 3.11Å
173G95.6Very high96.8Very high16 Ų1623.1 Ų23.117%0.16514%0.144CC..  trans-96.2-158.7-176.200000114H176 A198 G199 N354G173-H176 PolarHBondContact N-O 3.15Å; G173-H176 VanDerWaalsContact N-O 3.1Å; G173-A198 WeakPolarHBondContact O-CB 3.3Å; G173-G199 PolarHBondContact O-N 2.91Å; G173-G199 VanDerWaalsContact O-N 3.11Å; G173-N354 PolarHBondContact O-ND2 3.49Å
174A95.6Very high96.8Very high22 Ų2224.7 Ų24.718%0.18214%0.136CC..SBendtrans-73.3-48.2-178.600000112.9Y21 G199 D200Y21-A174 HydrophobicContact CG-CB 4.5Å; A174-G199 CarbonylContact O-C 3.59Å; A174-G199 WeakPolarHBondContact O-CA 3.44Å; A174-G199 PolarHBondContact O-N 2.88Å; A174-D200 PolarHBondContact O-N 3.01Å
175T95.2Very high96.8Very high34 Ų3421.2 Ų21.221%0.20913%0.132CC..SBendtrans-92.8-29.2-172.156.70000113.4S20S20-T175 PolarHBondContact OG-OG1 3.43Å
176H95.4Very high96.9Very high33 Ų3324.6 Ų24.615%0.15314%0.135CC..  trans-150.3152.9-174.8-55.679.8000111.8N90 G173 T178 S195 A198N90-H176 PolarHBondContact OD1-CE1 2.66Å; G173-H176 PolarHBondContact N-O 3.15Å; G173-H176 VanDerWaalsContact N-O 3.1Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; H176-S195 CarbonylContact C-O 3.54Å; H176-S195 VanDerWaalsContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CB-O 3.25Å; H176-A198 VanDerWaalsContact CA-CB 3.48Å
177T97.5Very high97Very high1 Ų123.8 Ų23.81%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-99.3133.7158.4-60.30000109.2L170 D171 S172 K194 S195 L197 V325L170-T177 HydrophobicContact CD1-CG2 3.71Å; D171-T177 CarbonylContact O-C 3.51Å; D171-T177 VanDerWaalsContact O-CA 3.25Å; D171-T177 WeakPolarHBondContact O-CA 3.41Å; S172-T177 PolarHBondContact OG-OG1 3.44Å; T177-K194 CarbonylContact O-C 3.47Å; T177-K194 WeakPolarHBondContact O-CA 3.47Å; T177-S195 PolarHBondContact N-O 3.43Å; T177-S195 PolarHBondContact O-N 2.89Å; T177-L197 PolarHBondContact OG1-O 2.8Å; T177-V325 HydrophobicContact CG2-CG2 4.36Å
178T97.8Very high97Very high4 Ų425.2 Ų25.23%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-134.2141.8-175.566.50000111.9W127 L170 D171 H176 I180 V193 K194W127-T178 HydrophobicContact CH2-CG2 3.56Å; W127-T178 HydrophobicContact CZ3-CG2 3.86Å; L170-T178 CarbonylContact C-O 3.59Å; L170-T178 VanDerWaalsContact CA-O 3.29Å; L170-T178 WeakPolarHBondContact CA-O 3.48Å; D171-T178 PolarHBondContact N-O 3.04Å; D171-T178 PolarHBondContact O-N 3.03Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; T178-I180 WeakPolarHBondContact OG1-CD1 3.21Å; T178-V193 CarbonylContact C-O 3.51Å; T178-V193 VanDerWaalsContact CA-O 3.28Å; T178-V193 WeakPolarHBondContact CA-O 3.33Å; T178-K194 HydrophobicContact CG2-CB 4.17Å; T178-K194 HydrophobicContact CG2-CD 4.26Å; T178-K194 HydrophobicContact CG2-CG 3.73Å
179A98.5Very high96.9Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-113.7118.7166.400000108.4L168 I169 V193 V328 V329 S332L168-A179 HydrophobicContact CD1-CB 4.29Å; L168-A179 HydrophobicContact CD2-CB 4.22Å; L168-A179 HydrophobicContact CG-CB 4.41Å; I169-A179 CarbonylContact O-C 3.52Å; I169-A179 VanDerWaalsContact O-CA 3.29Å; I169-A179 WeakPolarHBondContact O-CA 3.35Å; A179-V193 PolarHBondContact N-O 3.25Å; A179-V193 PolarHBondContact O-N 3.05Å; A179-V328 HydrophobicContact CB-CG1 3.55Å; A179-V329 HydrophobicContact CB-CG2 4.41Å; A179-S332 PolarHBondContact O-OG 3.13Å
180I98.5Very high96.7Very high2 Ų234.3 Ų34.31%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-125.5114-175.1-61.2140.6000108.6P126 W127 A155 I169 T178 V187 I192P126-I180 HydrophobicContact CB-CG2 4.48Å; P126-I180 HydrophobicContact CG-CD1 3.82Å; P126-I180 HydrophobicContact CG-CG1 4.23Å; P126-I180 HydrophobicContact CG-CG2 4.17Å; W127-I180 HydrophobicContact CZ3-CD1 4.11Å; A155-I180 HydrophobicContact CB-CB 3.79Å; A155-I180 HydrophobicContact CB-CD1 4.05Å; A155-I180 HydrophobicContact CB-CG1 4.49Å; A155-I180 HydrophobicContact CB-CG2 3.43Å; A155-I180 VanDerWaalsContact CB-CG2 3.43Å; I169-I180 PolarHBondContact N-O 3.44Å; I169-I180 PolarHBondContact O-N 3.43Å; T178-I180 WeakPolarHBondContact OG1-CD1 3.21Å; I180-V187 HydrophobicContact CG2-CB 4.34Å; I180-V187 HydrophobicContact CG2-CG1 3.49Å; I180-V187 VanDerWaalsContact CG2-CG1 3.49Å; I180-V187 HydrophobicContact CG2-CG2 3.97Å; I180-I192 HydrophobicContact CG1-CG1 4.47Å; I180-I192 HydrophobicContact CG1-CG2 4.32Å; I180-I192 HydrophobicContact CG2-CG1 4.33Å
181P98.5Very high96.7Very high0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-77.4127.4176.330.4-32.4000109.9L168 V187 L188 G191 S332 L344L168-P181 HydrophobicContact CD1-CB 3.96Å; P181-V187 WeakPolarHBondContact O-CA 3.39Å; P181-L188 HydrophobicContact CB-CB 4.48Å; P181-L188 HydrophobicContact CB-CD1 4.2Å; P181-L188 HydrophobicContact CB-CG 4.49Å; P181-L188 HydrophobicContact CG-CB 3.91Å; P181-L188 HydrophobicContact CG-CD1 4.41Å; P181-L188 HydrophobicContact CG-CG 4.43Å; P181-L188 PolarHBondContact O-N 3.23Å; P181-G191 WeakPolarHBondContact CD-O 3.44Å; P181-S332 WeakPolarHBondContact CD-OG 3.47Å; P181-L344 HydrophobicContact CB-CD1 3.92Å; P181-L344 HydrophobicContact CB-CD2 3.87Å
182V98.2Very high96.7Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-110.7129.7172.1-176.80000107.3A155 V156 A159 T166 G167 I169 Y186 V187A155-V182 HydrophobicContact CB-CG2 3.87Å; V156-V182 HydrophobicContact CG2-CG1 4.42Å; A159-V182 HydrophobicContact CB-CB 4.39Å; A159-V182 HydrophobicContact CB-CG1 4.2Å; A159-V182 HydrophobicContact CB-CG2 4.43Å; T166-V182 CarbonylContact C-O 3.53Å; T166-V182 VanDerWaalsContact CA-O 3.26Å; T166-V182 WeakPolarHBondContact CA-O 3.2Å; G167-V182 PolarHBondContact N-O 2.84Å; G167-V182 PolarHBondContact O-N 2.94Å; G167-V182 VanDerWaalsContact O-O 3.04Å; I169-V182 HydrophobicContact CG1-CG2 3.94Å; V182-Y186 CarbonylContact C-O 3.6Å; V182-Y186 VanDerWaalsContact CA-O 3.27Å; V182-Y186 WeakPolarHBondContact CA-O 3.3Å; V182-V187 HydrophobicContact CG2-CG2 4.37Å
183H97.3Very high96.8Very high58 Ų5834 Ų3427%0.26918%0.178SC..EExtended strand (participates in β ladder)trans-135.4126.1176.6-175.244.7000109.4T166 G185 Y186 L188T166-H183 PolarHBondContact OG1-ND1 2.94Å; H183-G185 PolarHBondContact O-N 3.33Å; H183-G185 VanDerWaalsContact O-N 3.1Å; H183-Y186 PolarHBondContact N-O 2.97Å; H183-Y186 PolarHBondContact O-N 2.59Å; H183-L188 HydrophobicContact CB-CD1 4.08Å; H183-L188 HydrophobicContact CB-CD2 4.13Å; H183-L188 HydrophobicContact CB-CG 4.22Å
184D94.8Very high96.8Very high101 Ų10137.6 Ų37.654%0.5419%0.19SC..THydrogen-bonded Turntrans48.536.8-176.6-65.1-16.2000114S165 T166 Y186S165-D184 PolarHBondContact O-N 3.02Å; S165-D184 VanDerWaalsContact O-N 3.11Å; T166-D184 PolarHBondContact OG1-N 3.49Å; T166-D184 PolarHBondContact OG1-OD1 3.09Å; D184-Y186 VanDerWaalsContact O-CD2 3.23Å; D184-Y186 WeakPolarHBondContact O-CD2 3.26Å; D184-Y186 WeakPolarHBondContact O-CE2 3.21Å
185G93.7Very high96.7Very high29 Ų2936.7 Ų36.730%0.29918%0.182SC..THydrogen-bonded Turntrans85.50.1-18000000115.1V156 S165 H183V156-G185 WeakPolarHBondContact CG1-O 3.41Å; V156-G185 WeakPolarHBondContact CG2-O 3.35Å; S165-G185 PolarHBondContact O-N 3.41Å; H183-G185 PolarHBondContact O-N 3.33Å; H183-G185 VanDerWaalsContact O-N 3.1Å
186Y95.9Very high96.7Very high138 Ų13838 Ų3854%0.54119%0.191SC..EExtended strand (participates in β ladder)trans-110.3143.1-179.9-60.1-84.2000112V182 H183 D184 P429V182-Y186 CarbonylContact C-O 3.6Å; V182-Y186 VanDerWaalsContact CA-O 3.27Å; V182-Y186 WeakPolarHBondContact CA-O 3.3Å; H183-Y186 PolarHBondContact N-O 2.97Å; H183-Y186 PolarHBondContact O-N 2.59Å; D184-Y186 VanDerWaalsContact O-CD2 3.23Å; D184-Y186 WeakPolarHBondContact O-CD2 3.26Å; D184-Y186 WeakPolarHBondContact O-CE2 3.21Å; Y186-P429 HydrophobicContact CD1-CG 4.18Å; Y186-P429 HydrophobicContact CE1-CB 4.43Å; Y186-P429 HydrophobicContact CE1-CG 3.72Å
187V97.5Very high96.6Very high12 Ų1236.5 Ų36.57%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-77.4128.6170.3174.20000110.2P126 K153 A155 V156 I180 P181 V182 Q189 I192P126-V187 HydrophobicContact CB-CG1 4.12Å; P126-V187 HydrophobicContact CB-CG2 4.45Å; K153-V187 HydrophobicContact CB-CG2 4.06Å; K153-V187 HydrophobicContact CD-CB 3.87Å; K153-V187 HydrophobicContact CD-CG2 3.58Å; K153-V187 HydrophobicContact CG-CG2 4.48Å; A155-V187 HydrophobicContact CB-CG2 4.22Å; V156-V187 HydrophobicContact CG2-CG2 3.74Å; I180-V187 HydrophobicContact CG2-CB 4.34Å; I180-V187 HydrophobicContact CG2-CG1 3.49Å; I180-V187 VanDerWaalsContact CG2-CG1 3.49Å; I180-V187 HydrophobicContact CG2-CG2 3.97Å; P181-V187 WeakPolarHBondContact O-CA 3.39Å; V182-V187 HydrophobicContact CG2-CG2 4.37Å; V187-Q189 PolarHBondContact O-N 3.05Å; V187-I192 HydrophobicContact CG1-CD1 3.92Å; V187-I192 HydrophobicContact CG1-CG1 4.07Å
188L97.4Very high96.5Very high30 Ų3036.5 Ų36.516%0.15718%0.184CC..  trans-83.7100.8170.2-44.3174.7000109.5P181 H183 Q190 G191 I340P181-L188 HydrophobicContact CB-CB 4.48Å; P181-L188 HydrophobicContact CB-CD1 4.2Å; P181-L188 HydrophobicContact CB-CG 4.49Å; P181-L188 HydrophobicContact CG-CB 3.91Å; P181-L188 HydrophobicContact CG-CD1 4.41Å; P181-L188 HydrophobicContact CG-CG 4.43Å; P181-L188 PolarHBondContact O-N 3.23Å; H183-L188 HydrophobicContact CB-CD1 4.08Å; H183-L188 HydrophobicContact CB-CD2 4.13Å; H183-L188 HydrophobicContact CB-CG 4.22Å; L188-Q190 VanDerWaalsContact C-N 3.26Å; L188-Q190 PolarHBondContact O-N 2.9Å; L188-G191 PolarHBondContact O-N 3.43Å; L188-I340 HydrophobicContact CD1-CD1 3.17Å
189Q95.8Very high96.5Very high93 Ų9336.6 Ų36.644%0.43519%0.186SC..G310 helixtrans-56.3-38.4-173.9-70.9-66.9-28.100113.1P126 V187 G191 I192P126-Q189 PolarHBondContact O-NE2 3.35Å; P126-Q189 PolarHBondContact O-OE1 2.9Å; V187-Q189 PolarHBondContact O-N 3.05Å; Q189-G191 PolarHBondContact O-N 2.94Å; Q189-I192 PolarHBondContact O-N 3.2Å; Q189-I192 VanDerWaalsContact OE1-CD1 3.22Å
190Q95.8Very high96.3Very high99 Ų9940.6 Ų40.646%0.46321%0.207SC..G310 helixtrans-65.2-23.1179.371.3-82.72200113.5L188 M335L188-Q190 VanDerWaalsContact C-N 3.26Å; L188-Q190 PolarHBondContact O-N 2.9Å; Q190-M335 WeakPolarHBondContact O-CE 3.42Å
191G97.1Very high96.1Very high0 Ų041.2 Ų41.20%021%0.21CC..G310 helixtrans-97.35.2-177.900000114.3P181 L188 Q189 V193 S332P181-G191 WeakPolarHBondContact CD-O 3.44Å; L188-G191 PolarHBondContact O-N 3.43Å; Q189-G191 PolarHBondContact O-N 2.94Å; G191-V193 PolarHBondContact O-N 3.3Å; G191-S332 WeakPolarHBondContact O-CA 3.28Å; G191-S332 VanDerWaalsContact O-CB 3.27Å; G191-S332 WeakPolarHBondContact O-CB 3.24Å; G191-S332 PolarHBondContact O-OG 3.3Å
192I97.8Very high96Very high29 Ų2941.2 Ų41.215%0.14921%0.21CC..  trans-70.9117.9178.3-61.9171000109.5P126 W127 I180 V187 Q189 K194P126-I192 HydrophobicContact CB-CD1 3.84Å; W127-I192 HydrophobicContact CE3-CG2 3.92Å; W127-I192 HydrophobicContact CZ3-CG2 4.34Å; I180-I192 HydrophobicContact CG1-CG1 4.47Å; I180-I192 HydrophobicContact CG1-CG2 4.32Å; I180-I192 HydrophobicContact CG2-CG1 4.33Å; V187-I192 HydrophobicContact CG1-CD1 3.92Å; V187-I192 HydrophobicContact CG1-CG1 4.07Å; Q189-I192 PolarHBondContact O-N 3.2Å; Q189-I192 VanDerWaalsContact OE1-CD1 3.22Å; I192-K194 HydrophobicContact CG2-CG 4.19Å
193V97.9Very high96Very high12 Ų1241.6 Ų41.67%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-118.9135.8174.4-1780000109.5T178 A179 G191 L323 V328 T331 M335T178-V193 CarbonylContact C-O 3.51Å; T178-V193 VanDerWaalsContact CA-O 3.28Å; T178-V193 WeakPolarHBondContact CA-O 3.33Å; A179-V193 PolarHBondContact N-O 3.25Å; A179-V193 PolarHBondContact O-N 3.05Å; G191-V193 PolarHBondContact O-N 3.3Å; V193-L323 HydrophobicContact CG1-CD1 3.74Å; V193-V328 HydrophobicContact CB-CG1 4.21Å; V193-V328 HydrophobicContact CG1-CB 4.35Å; V193-V328 HydrophobicContact CG1-CG1 4Å; V193-V328 HydrophobicContact CG1-CG2 4.41Å; V193-T331 HydrophobicContact CG1-CG2 4.44Å; V193-T331 HydrophobicContact CG2-CG2 3.93Å; V193-M335 HydrophobicContact CG2-SD 3.67Å
194K95.6Very high95.9Very high93 Ų9342.9 Ų42.940%0.40422%0.219SC..EExtended strand (participates in β ladder)trans-128.4142.5-178.1-56.1-173.1-72.7-1730110.5W127 T177 T178 I192W127-K194 HydrophobicContact CD2-CD 3.72Å; W127-K194 HydrophobicContact CE3-CD 3.68Å; W127-K194 HydrophobicContact CE3-CG 4.42Å; W127-K194 HydrophobicContact CG-CD 4.42Å; W127-K194 HydrophobicContact CH2-CD 3.98Å; W127-K194 HydrophobicContact CZ2-CD 4Å; W127-K194 HydrophobicContact CZ3-CD 3.78Å; W127-K194 HydrophobicContact CZ3-CG 4.26Å; T177-K194 CarbonylContact O-C 3.47Å; T177-K194 WeakPolarHBondContact O-CA 3.47Å; T178-K194 HydrophobicContact CG2-CB 4.17Å; T178-K194 HydrophobicContact CG2-CD 4.26Å; T178-K194 HydrophobicContact CG2-CG 3.73Å; I192-K194 HydrophobicContact CG2-CG 4.19Å
195S95.3Very high95.9Very high2 Ų239.2 Ų39.21%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-128.6136.9171-175.10000109.2H176 T177 L197 L323H176-S195 CarbonylContact C-O 3.54Å; H176-S195 VanDerWaalsContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CB-O 3.25Å; T177-S195 PolarHBondContact N-O 3.43Å; T177-S195 PolarHBondContact O-N 2.89Å; S195-L197 PolarHBondContact O-N 3.35Å; S195-L197 WeakPolarHBondContact OG-CG 3.35Å; S195-L197 PolarHBondContact OG-N 2.84Å; S195-L323 WeakPolarHBondContact CB-O 3.38Å; S195-L323 PolarHBondContact OG-O 3.21Å
196P93.8Very high96Very high61 Ų6137.9 Ų37.940%0.39619%0.185SC..SBendtrans-75.9-3.4174.633.8-36000112.6A198 M322P196-A198 VanDerWaalsContact C-N 3.34Å; P196-A198 PolarHBondContact O-N 2.79Å; P196-M322 HydrophobicContact CG-CE 3.58Å; P196-M322 HydrophobicContact CG-SD 3.66Å
197L94.4Very high96Very high3 Ų334.3 Ų34.32%0.01617%0.17CC..  trans-73.287.1176.8-58.2173.8000109.6T177 S195 F201 L308 P311 L317 M322T177-L197 PolarHBondContact OG1-O 2.8Å; S195-L197 PolarHBondContact O-N 3.35Å; S195-L197 WeakPolarHBondContact OG-CG 3.35Å; S195-L197 PolarHBondContact OG-N 2.84Å; L197-F201 HydrophobicContact CB-CD1 4.39Å; L197-F201 HydrophobicContact CD2-CD1 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.03Å; L197-F201 HydrophobicContact CD2-CE1 4.1Å; L197-F201 HydrophobicContact CD2-CE2 4.14Å; L197-F201 HydrophobicContact CD2-CG 3.99Å; L197-F201 HydrophobicContact CD2-CZ 4.16Å; L197-L308 HydrophobicContact CB-CD2 4.24Å; L197-L308 WeakPolarHBondContact O-CD2 3.46Å; L197-P311 HydrophobicContact CD1-CB 3.7Å; L197-P311 HydrophobicContact CD1-CG 3.97Å; L197-L317 HydrophobicContact CD2-CD1 3.82Å; L197-M322 HydrophobicContact CD1-CB 3.92Å; L197-M322 HydrophobicContact CD2-SD 3.69Å; L197-M322 HydrophobicContact CG-CB 4.3Å; L197-M322 HydrophobicContact CG-SD 4.02Å
198A95.6Very high95.9Very high0 Ų036.4 Ų36.40%018%0.18CC..SBendtrans-146.9-152.8-173.400000111.4G173 H176 P196 D200 F201 I202G173-A198 WeakPolarHBondContact O-CB 3.3Å; H176-A198 VanDerWaalsContact CA-CB 3.48Å; P196-A198 VanDerWaalsContact C-N 3.34Å; P196-A198 PolarHBondContact O-N 2.79Å; A198-D200 PolarHBondContact O-N 3.1Å; A198-F201 WeakPolarHBondContact O-CB 3.39Å; A198-F201 PolarHBondContact O-N 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.89Å
199G96.2Very high95.7Very high6 Ų635.9 Ų35.96%0.06218%0.177CC..Hα-helixtrans-63.1-39.6-173.400000114.1G173 A174 F201 I202 T203 N354G173-G199 PolarHBondContact O-N 2.91Å; G173-G199 VanDerWaalsContact O-N 3.11Å; A174-G199 CarbonylContact O-C 3.59Å; A174-G199 WeakPolarHBondContact O-CA 3.44Å; A174-G199 PolarHBondContact O-N 2.88Å; G199-F201 VanDerWaalsContact C-N 3.31Å; G199-F201 PolarHBondContact O-N 2.81Å; G199-I202 PolarHBondContact O-N 3.11Å; G199-T203 WeakPolarHBondContact O-CB 3.34Å; G199-T203 PolarHBondContact O-N 2.83Å; G199-T203 PolarHBondContact O-OG1 3.1Å; G199-N354 WeakPolarHBondContact CA-OD1 3.45Å; G199-N354 PolarHBondContact N-ND2 2.89Å
200D95.3Very high95.8Very high84 Ų8431.6 Ų31.645%0.44916%0.157SC..Hα-helixtrans-65.1-38.3177.2-69.1-17.8000111.1A174 A198 T203 M204A174-D200 PolarHBondContact O-N 3.01Å; A198-D200 PolarHBondContact O-N 3.1Å; D200-T203 WeakPolarHBondContact O-CB 3.4Å; D200-T203 PolarHBondContact O-N 2.65Å; D200-M204 PolarHBondContact O-N 2.83Å
201F94.9Very high95.7Very high15 Ų1533.7 Ų33.77%0.06617%0.166CC..Hα-helixtrans-62.9-49.4174.3165.4-105000111.4L197 A198 G199 T203 M204 Q205 L308 V314 L317L197-F201 HydrophobicContact CB-CD1 4.39Å; L197-F201 HydrophobicContact CD2-CD1 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.03Å; L197-F201 HydrophobicContact CD2-CE1 4.1Å; L197-F201 HydrophobicContact CD2-CE2 4.14Å; L197-F201 HydrophobicContact CD2-CG 3.99Å; L197-F201 HydrophobicContact CD2-CZ 4.16Å; A198-F201 WeakPolarHBondContact O-CB 3.39Å; A198-F201 PolarHBondContact O-N 3.1Å; G199-F201 VanDerWaalsContact C-N 3.31Å; G199-F201 PolarHBondContact O-N 2.81Å; F201-T203 PolarHBondContact O-N 3.01Å; F201-M204 HydrophobicContact CD2-CE 3.99Å; F201-M204 HydrophobicContact CE2-CE 4.22Å; F201-M204 WeakPolarHBondContact O-CB 3.22Å; F201-M204 PolarHBondContact O-N 2.82Å; F201-M204 VanDerWaalsContact O-N 3.14Å; F201-Q205 HydrophobicContact CD2-CG 4.17Å; F201-Q205 HydrophobicContact CE1-CG 4.09Å; F201-Q205 HydrophobicContact CE2-CG 3.54Å; F201-Q205 HydrophobicContact CZ-CG 3.5Å; F201-Q205 WeakPolarHBondContact O-CG 3.4Å; F201-Q205 PolarHBondContact O-N 3.37Å; F201-L308 HydrophobicContact CD1-CD2 4.02Å; F201-L308 HydrophobicContact CE1-CD2 4.45Å; F201-V314 HydrophobicContact CE2-CG1 3.43Å; F201-V314 VanDerWaalsContact CE2-CG1 3.43Å; F201-V314 HydrophobicContact CE2-CG2 4.42Å; F201-V314 HydrophobicContact CZ-CB 4.36Å; F201-V314 HydrophobicContact CZ-CG1 3.59Å; F201-V314 HydrophobicContact CZ-CG2 3.76Å; F201-L317 HydrophobicContact CE2-CD1 4.43Å
202I96.1Very high95.6Very high1 Ų139.1 Ų39.11%0.00519%0.192CC..Hα-helixtrans-59.1-39.8176.1-60.7168.6000110.3A198 G199 M204 Q205 C206 Q263 L267 I304 L308 N354 I357A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.89Å; G199-I202 PolarHBondContact O-N 3.11Å; I202-M204 VanDerWaalsContact C-N 3.34Å; I202-M204 PolarHBondContact O-N 3.04Å; I202-Q205 PolarHBondContact O-N 2.84Å; I202-C206 PolarHBondContact O-N 2.97Å; I202-C206 PolarHBondContact O-SG 2.71Å; I202-Q263 HydrophobicContact CG2-CG 3.76Å; I202-L267 HydrophobicContact CG2-CD1 3.44Å; I202-L267 VanDerWaalsContact CG2-CD1 3.44Å; I202-I304 HydrophobicContact CG2-CG2 3.77Å; I202-L308 HydrophobicContact CD1-CD1 3.73Å; I202-L308 HydrophobicContact CD1-CD2 4.07Å; I202-L308 HydrophobicContact CD1-CG 4.23Å; I202-L308 HydrophobicContact CG1-CD1 4.35Å; I202-L308 HydrophobicContact CG1-CD2 4.01Å; I202-L308 HydrophobicContact CG1-CG 4.33Å; I202-N354 HydrophobicContact CD1-CB 4.35Å; I202-I357 HydrophobicContact CD1-CD1 3.68Å
203T96.9Very high95.5Very high7 Ų740.9 Ų40.94%0.04320%0.2CC..Hα-helixtrans-61.8-41.8177.6-57.60000111.8G199 D200 F201 R207 N256 I259 Q263G199-T203 WeakPolarHBondContact O-CB 3.34Å; G199-T203 PolarHBondContact O-N 2.83Å; G199-T203 PolarHBondContact O-OG1 3.1Å; D200-T203 WeakPolarHBondContact O-CB 3.4Å; D200-T203 PolarHBondContact O-N 2.65Å; F201-T203 PolarHBondContact O-N 3.01Å; T203-R207 WeakPolarHBondContact O-CG 3.25Å; T203-R207 PolarHBondContact O-N 3.19Å; T203-R207 VanDerWaalsContact O-N 3.14Å; T203-N256 HydrophobicContact CG2-CB 4.39Å; T203-N256 WeakPolarHBondContact CG2-OD1 3.37Å; T203-I259 HydrophobicContact CG2-CB 4.25Å; T203-I259 HydrophobicContact CG2-CD1 4.07Å; T203-I259 HydrophobicContact CG2-CG2 3.82Å; T203-Q263 PolarHBondContact OG1-NE2 3.22Å
204M95.1Very high95.4Very high85 Ų8547.4 Ų47.442%0.41924%0.235SC..Hα-helixtrans-63.5-45.2173.8-176.2-175.876.500111.7D200 F201 I202 C206 R207 E208D200-M204 PolarHBondContact O-N 2.83Å; F201-M204 HydrophobicContact CD2-CE 3.99Å; F201-M204 HydrophobicContact CE2-CE 4.22Å; F201-M204 WeakPolarHBondContact O-CB 3.22Å; F201-M204 PolarHBondContact O-N 2.82Å; F201-M204 VanDerWaalsContact O-N 3.14Å; I202-M204 VanDerWaalsContact C-N 3.34Å; I202-M204 PolarHBondContact O-N 3.04Å; M204-C206 PolarHBondContact O-N 3.03Å; M204-R207 WeakPolarHBondContact O-CB 3.48Å; M204-R207 PolarHBondContact O-N 3.37Å; M204-R207 VanDerWaalsContact O-N 3.13Å; M204-E208 PolarHBondContact O-N 3.06Å
205Q94.8Very high95.4Very high25 Ų2543.6 Ų43.612%0.11722%0.218CC..Hα-helixtrans-64.4-38.8178.8-65.7-60.6-84.200112.7F201 I202 R207 E208 L209 I304F201-Q205 HydrophobicContact CD2-CG 4.17Å; F201-Q205 HydrophobicContact CE1-CG 4.09Å; F201-Q205 HydrophobicContact CE2-CG 3.54Å; F201-Q205 HydrophobicContact CZ-CG 3.5Å; F201-Q205 WeakPolarHBondContact O-CG 3.4Å; F201-Q205 PolarHBondContact O-N 3.37Å; I202-Q205 PolarHBondContact O-N 2.84Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 3.47Å; Q205-E208 PolarHBondContact NE2-OE2 3.49Å; Q205-E208 PolarHBondContact O-N 3.46Å; Q205-L209 PolarHBondContact O-N 3.36Å; Q205-I304 HydrophobicContact CB-CG1 4.36Å; Q205-I304 HydrophobicContact CB-CG2 3.92Å
206C96.8Very high95.4Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-62.1-38.9172.1-66.40000112I202 M204 E208 L209 F210 I259 F262I202-C206 PolarHBondContact O-N 2.97Å; I202-C206 PolarHBondContact O-SG 2.71Å; M204-C206 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact C-N 3.35Å; C206-L209 PolarHBondContact O-N 3.17Å; C206-F210 HydrophobicContact CB-CE2 4.47Å; C206-F210 HydrophobicContact CB-CZ 4.37Å; C206-F210 WeakPolarHBondContact O-CD1 3.45Å; C206-F210 WeakPolarHBondContact O-CD2 3.16Å; C206-F210 WeakPolarHBondContact O-CG 3.29Å; C206-F210 PolarHBondContact O-N 2.97Å; C206-I259 HydrophobicContact CB-CG2 3.48Å; C206-I259 VanDerWaalsContact CB-CG2 3.48Å; C206-F262 HydrophobicContact CB-CD1 4.48Å
207R96Very high95.5Very high63 Ų6347.3 Ų47.324%0.23823%0.231CC..Hα-helixtrans-63.3-41.5176.4-75176.4172.6-77.74.4112T203 M204 Q205 F210 Q211 N252 N256 I259T203-R207 WeakPolarHBondContact O-CG 3.25Å; T203-R207 PolarHBondContact O-N 3.19Å; T203-R207 VanDerWaalsContact O-N 3.14Å; M204-R207 WeakPolarHBondContact O-CB 3.48Å; M204-R207 PolarHBondContact O-N 3.37Å; M204-R207 VanDerWaalsContact O-N 3.13Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 3.47Å; R207-F210 PolarHBondContact O-N 3.39Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.13Å; R207-Q211 VanDerWaalsContact O-N 3.09Å; R207-N252 PolarHBondContact NH2-O 2.72Å; R207-N256 PolarHBondContact NE-OD1 3.04Å; R207-N256 VanDerWaalsContact NE-OD1 3.15Å; R207-N256 PolarHBondContact NH2-OD1 3.11Å; R207-I259 HydrophobicContact CG-CD1 3.35Å; R207-I259 HydrophobicContact CG-CG1 4.4Å
208E94.4Very high95.6Very high57 Ų5747.2 Ų47.227%0.26623%0.231SC..Hα-helixtrans-62.4-46.2175-70.9175.8-176.700110.8M204 Q205 C206 F210 Q211 E212M204-E208 PolarHBondContact O-N 3.06Å; Q205-E208 PolarHBondContact NE2-OE2 3.49Å; Q205-E208 PolarHBondContact O-N 3.46Å; C206-E208 VanDerWaalsContact C-N 3.35Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 2.8Å; E208-Q211 WeakPolarHBondContact O-CB 3.43Å; E208-Q211 PolarHBondContact O-N 2.68Å; E208-Q211 VanDerWaalsContact O-N 3.14Å; E208-E212 WeakPolarHBondContact O-CG 3.5Å; E208-E212 PolarHBondContact O-N 3.43Å
209L95.1Very high95.7Very high18 Ų1847.2 Ų47.29%0.09423%0.231CC..Hα-helixtrans-56.1-47.2175.5177.665.3000111.8Q205 C206 Q211 E212 M213 F262 F297 E300 I304Q205-L209 PolarHBondContact O-N 3.36Å; C206-L209 PolarHBondContact O-N 3.17Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.06Å; L209-E212 PolarHBondContact O-N 3.44Å; L209-M213 HydrophobicContact CD1-CG 4.04Å; L209-M213 HydrophobicContact CD1-SD 3.62Å; L209-M213 HydrophobicContact CD2-SD 4.27Å; L209-M213 HydrophobicContact CG-CG 4.45Å; L209-M213 HydrophobicContact CG-SD 3.78Å; L209-M213 WeakPolarHBondContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.34Å; L209-F262 HydrophobicContact CD2-CZ 4.47Å; L209-F297 HydrophobicContact CD2-CD1 4.37Å; L209-F297 HydrophobicContact CD2-CE1 4.32Å; L209-E300 HydrophobicContact CD1-CB 3.92Å; L209-E300 HydrophobicContact CD1-CG 3.99Å; L209-E300 HydrophobicContact CD2-CB 4.25Å; L209-E300 HydrophobicContact CD2-CG 3.86Å; L209-I304 HydrophobicContact CB-CD1 4.22Å; L209-I304 HydrophobicContact CD2-CD1 3.63Å
210F96.4Very high95.8Very high4 Ų450.1 Ų50.12%0.01825%0.249CC..Hα-helixtrans-63.2-35.9179.8-62-16.5000112.1C206 R207 E208 N214 I215 L217 I259 F262 F289 F297C206-F210 HydrophobicContact CB-CE2 4.47Å; C206-F210 HydrophobicContact CB-CZ 4.37Å; C206-F210 WeakPolarHBondContact O-CD1 3.45Å; C206-F210 WeakPolarHBondContact O-CD2 3.16Å; C206-F210 WeakPolarHBondContact O-CG 3.29Å; C206-F210 PolarHBondContact O-N 2.97Å; R207-F210 PolarHBondContact O-N 3.39Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 2.8Å; F210-N214 PolarHBondContact O-N 2.9Å; F210-N214 VanDerWaalsContact O-N 3.11Å; F210-I215 HydrophobicContact CB-CB 4.09Å; F210-I215 HydrophobicContact CD1-CD1 4.15Å; F210-I215 PolarHBondContact O-N 2.66Å; F210-L217 HydrophobicContact CD2-CD1 4.21Å; F210-L217 HydrophobicContact CE2-CD1 4.13Å; F210-I259 HydrophobicContact CD2-CG1 4.43Å; F210-I259 HydrophobicContact CE2-CG1 3.83Å; F210-F262 HydrophobicContact CE1-CD1 4.15Å; F210-F262 HydrophobicContact CE1-CD2 4.22Å; F210-F262 AromaticContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE2 4.03Å; F210-F262 HydrophobicContact CE1-CG 4.28Å; F210-F262 AromaticContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CZ-CB 4.24Å; F210-F262 AromaticContact CZ-CD1 3.68Å; F210-F262 HydrophobicContact CZ-CD1 3.68Å; F210-F262 AromaticContact CZ-CD2 3.99Å; F210-F262 HydrophobicContact CZ-CD2 3.99Å; F210-F262 AromaticContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE2 4.25Å; F210-F262 AromaticContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CZ 4.25Å; F210-F289 HydrophobicContact CD1-CZ 4.21Å; F210-F289 HydrophobicContact CD2-CE1 4.39Å; F210-F289 HydrophobicContact CE1-CE1 4.11Å; F210-F289 AromaticContact CE1-CZ 3.73Å; F210-F289 HydrophobicContact CE1-CZ 3.73Å; F210-F289 AromaticContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CZ 4.34Å; F210-F289 AromaticContact CZ-CE1 3.72Å; F210-F289 HydrophobicContact CZ-CE1 3.72Å; F210-F289 AromaticContact CZ-CZ 3.8Å; F210-F289 HydrophobicContact CZ-CZ 3.8Å; F210-F297 HydrophobicContact CE1-CE1 4.47Å
211Q95.3Very high95.8Very high143 Ų14347.2 Ų47.267%0.66823%0.231SC*.Hα-helixtrans-66.8-44.4173.6-70.8172.9800111.8R207 E208 L209 M213 N214R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.13Å; R207-Q211 VanDerWaalsContact O-N 3.09Å; E208-Q211 WeakPolarHBondContact O-CB 3.43Å; E208-Q211 PolarHBondContact O-N 2.68Å; E208-Q211 VanDerWaalsContact O-N 3.14Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.06Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.94Å; Q211-N214 PolarHBondContact O-N 3.05Å; Q211-N214 VanDerWaalsContact O-N 3.12Å
212E94.8Very high95.9Very high113 Ų11347.1 Ų47.153%0.52823%0.231SC..Hα-helixtrans-61.1-37.6177.6-70.8-179.6-178.900112E208 L209 N214 K315E208-E212 WeakPolarHBondContact O-CG 3.5Å; E208-E212 PolarHBondContact O-N 3.43Å; L209-E212 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact C-N 3.32Å; E212-K315 IonicContact OE1-NZ 3.17Å; E212-K315 PolarHBondContact OE1-NZ 3.22Å; E212-K315 IonicContact OE2-NZ 2.79Å
213M94.9Very high96Very high67 Ų6748.1 Ų48.133%0.3324%0.236SC..THydrogen-bonded Turntrans-85.51.2177.9-64.2178.676.100113.8L209 Q211 I215 F297L209-M213 HydrophobicContact CD1-CG 4.04Å; L209-M213 HydrophobicContact CD1-SD 3.62Å; L209-M213 HydrophobicContact CD2-SD 4.27Å; L209-M213 HydrophobicContact CG-CG 4.45Å; L209-M213 HydrophobicContact CG-SD 3.78Å; L209-M213 WeakPolarHBondContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.34Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.94Å; M213-I215 HydrophobicContact CB-CD1 3.77Å; M213-I215 HydrophobicContact CB-CG1 3.77Å; M213-I215 HydrophobicContact CE-CD1 4.15Å; M213-I215 PolarHBondContact O-N 3.47Å; M213-I215 HydrophobicContact SD-CD1 4.03Å; M213-F297 HydrophobicContact CE-CD1 4.35Å; M213-F297 HydrophobicContact CE-CE1 3.99Å; M213-F297 HydrophobicContact SD-CD1 4.35Å; M213-F297 HydrophobicContact SD-CE1 3.86Å
214N95.3Very high96Very high149 Ų14950.6 Ų50.680%0.79726%0.258SS*.THydrogen-bonded Turntrans55.234.5-173.9-56.7-72000114.1F210 Q211 E212F210-N214 PolarHBondContact O-N 2.9Å; F210-N214 VanDerWaalsContact O-N 3.11Å; Q211-N214 PolarHBondContact O-N 3.05Å; Q211-N214 VanDerWaalsContact O-N 3.12Å; E212-N214 VanDerWaalsContact C-N 3.32Å
215I96Very high96.1Very high12 Ų1249.2 Ų49.26%0.06226%0.256CS..  trans-84.9117.1176-59174.6000109F210 M213 L217 F289 Y293 F297F210-I215 HydrophobicContact CB-CB 4.09Å; F210-I215 HydrophobicContact CD1-CD1 4.15Å; F210-I215 PolarHBondContact O-N 2.66Å; M213-I215 HydrophobicContact CB-CD1 3.77Å; M213-I215 HydrophobicContact CB-CG1 3.77Å; M213-I215 HydrophobicContact CE-CD1 4.15Å; M213-I215 PolarHBondContact O-N 3.47Å; M213-I215 HydrophobicContact SD-CD1 4.03Å; I215-L217 PolarHBondContact O-N 2.76Å; I215-F289 HydrophobicContact CD1-CE2 4.29Å; I215-F289 HydrophobicContact CD1-CZ 4.26Å; I215-F289 HydrophobicContact CG2-CD1 4.41Å; I215-F289 HydrophobicContact CG2-CD2 4.36Å; I215-F289 HydrophobicContact CG2-CE1 3.99Å; I215-F289 HydrophobicContact CG2-CE2 3.92Å; I215-F289 HydrophobicContact CG2-CZ 3.73Å; I215-Y293 HydrophobicContact CB-CE1 4.35Å; I215-Y293 HydrophobicContact CD1-CE1 3.82Å; I215-Y293 HydrophobicContact CG1-CD1 4.41Å; I215-Y293 HydrophobicContact CG1-CE1 3.61Å; I215-Y293 HydrophobicContact CG2-CD1 3.89Å; I215-Y293 HydrophobicContact CG2-CE1 3.96Å; I215-F297 HydrophobicContact CD1-CE1 4.2Å; I215-F297 HydrophobicContact CD1-CZ 3.97Å
216E94.8Very high96.2Very high112 Ų11252.2 Ų52.252%0.52327%0.269SS..  trans-74.6116173.8-169.5-169.2179.300110.5V218E216-V218 HydrophobicContact CB-CG2 4.3Å; E216-V218 HydrophobicContact CG-CG2 3.7Å; E216-V218 PolarHBondContact O-N 2.87Å; E216-V218 VanDerWaalsContact O-N 3.12Å
217L96.1Very high96.2Very high29 Ų2957.5 Ų57.515%0.15229%0.294CS..  trans-78.996.3176.7-172.765.2000110.9F210 I215 P219 C255 V258 I259F210-L217 HydrophobicContact CD2-CD1 4.21Å; F210-L217 HydrophobicContact CE2-CD1 4.13Å; I215-L217 PolarHBondContact O-N 2.76Å; L217-P219 WeakPolarHBondContact O-CD 3.23Å; L217-C255 HydrophobicContact CD2-CB 3.59Å; L217-C255 HydrophobicContact CG-CB 4.21Å; L217-V258 HydrophobicContact CD1-CB 4Å; L217-V258 HydrophobicContact CD1-CG1 3.71Å; L217-I259 HydrophobicContact CD1-CG1 4.18Å; L217-I259 HydrophobicContact CD2-CD1 3.53Å; L217-I259 HydrophobicContact CD2-CG1 3.8Å
218V97.5Very high96.2Very high1 Ų159.5 Ų59.51%0.00632%0.324CS..  trans-105.6110.9-179.2-176.10000110.9E216 M222 I223 W237 N291E216-V218 HydrophobicContact CB-CG2 4.3Å; E216-V218 HydrophobicContact CG-CG2 3.7Å; E216-V218 PolarHBondContact O-N 2.87Å; E216-V218 VanDerWaalsContact O-N 3.12Å; V218-M222 HydrophobicContact CG1-CB 4.18Å; V218-M222 HydrophobicContact CG1-CE 4.45Å; V218-I223 HydrophobicContact CG1-CD1 3.89Å; V218-I223 HydrophobicContact CG1-CG1 3.76Å; V218-W237 HydrophobicContact CB-CZ2 4.33Å; V218-W237 HydrophobicContact CG1-CE3 4.36Å; V218-W237 HydrophobicContact CG1-CH2 3.5Å; V218-W237 VanDerWaalsContact CG1-CH2 3.5Å; V218-W237 HydrophobicContact CG1-CZ2 3.66Å; V218-W237 HydrophobicContact CG1-CZ3 3.87Å; V218-W237 HydrophobicContact CG2-CH2 4.33Å; V218-W237 HydrophobicContact CG2-CZ2 3.71Å; V218-N291 HydrophobicContact CB-CB 3.95Å; V218-N291 HydrophobicContact CG1-CB 4.23Å; V218-N291 HydrophobicContact CG2-CB 4.34Å
219P97.5Very high96.3Very high0 Ų058.3 Ų58.30%032%0.32CS..  trans-73.1152.117828.4-35000113L217 Y221 M222 M254 V258L217-P219 WeakPolarHBondContact O-CD 3.23Å; P219-Y221 HydrophobicContact CB-CD1 3.86Å; P219-Y221 HydrophobicContact CB-CE1 3.92Å; P219-Y221 HydrophobicContact CG-CD1 3.71Å; P219-Y221 HydrophobicContact CG-CE1 3.29Å; P219-Y221 PolarHBondContact O-N 2.91Å; P219-M222 VanDerWaalsContact CD-SD 3.59Å; P219-M222 HydrophobicContact CG-CG 4.42Å; P219-M222 HydrophobicContact CG-SD 3.57Å; P219-M222 VanDerWaalsContact CG-SD 3.57Å; P219-M222 PolarHBondContact O-N 3.44Å; P219-M222 VanDerWaalsContact O-N 3.13Å; P219-M254 HydrophobicContact CB-CB 3.89Å; P219-M254 HydrophobicContact CG-CB 4.43Å; P219-V258 HydrophobicContact CB-CG2 4.4Å
220P96.8Very high96.3Very high68 Ų6867.7 Ų67.744%0.44236%0.355SS..G310 helixtrans-52.9-33.7-174.4-28.833.6000115.8M222 I223 P290P220-M222 PolarHBondContact O-N 3.39Å; P220-M222 VanDerWaalsContact O-N 3.15Å; P220-I223 PolarHBondContact O-N 3.23Å; P220-I223 VanDerWaalsContact O-N 3.17Å; P220-P290 HydrophobicContact CG-CB 3.96Å; P220-P290 HydrophobicContact CG-CG 4.06Å
221Y96.3Very high96.2Very high22 Ų2272.8 Ų72.89%0.08638%0.379CS..G310 helixtrans-63.8-24-175.481.6-91.9000112.9P78 P219 K240 L243 V246 W250 H251 M254P78-Y221 HydrophobicContact CB-CD2 4.08Å; P78-Y221 HydrophobicContact CG-CD2 4.34Å; P219-Y221 HydrophobicContact CB-CD1 3.86Å; P219-Y221 HydrophobicContact CB-CE1 3.92Å; P219-Y221 HydrophobicContact CG-CD1 3.71Å; P219-Y221 HydrophobicContact CG-CE1 3.29Å; P219-Y221 PolarHBondContact O-N 2.91Å; Y221-K240 WeakPolarHBondContact O-CD 3.19Å; Y221-K240 PolarHBondContact O-NZ 3.18Å; Y221-L243 HydrophobicContact CD2-CD1 4.28Å; Y221-L243 HydrophobicContact CD2-CD2 4.27Å; Y221-L243 HydrophobicContact CE2-CD1 4.33Å; Y221-V246 HydrophobicContact CE2-CG2 4.22Å; Y221-V246 WeakPolarHBondContact OH-CG2 3.41Å; Y221-W250 AromaticContact CD1-CH2 3.76Å; Y221-W250 HydrophobicContact CD1-CH2 3.76Å; Y221-W250 AromaticContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD2-CH2 4.1Å; Y221-W250 AromaticContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CE1-CE3 4.4Å; Y221-W250 HydrophobicContact CE1-CH2 4.12Å; Y221-W250 AromaticContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE2-CH2 4.45Å; Y221-W250 AromaticContact CE2-CZ3 3.82Å; Y221-W250 HydrophobicContact CE2-CZ3 3.82Å; Y221-W250 AromaticContact CG-CH2 3.76Å; Y221-W250 HydrophobicContact CG-CH2 3.76Å; Y221-W250 AromaticContact CG-CZ3 3.87Å; Y221-W250 HydrophobicContact CG-CZ3 3.87Å; Y221-W250 AromaticContact CZ-CZ3 3.62Å; Y221-H251 AromaticContact CE1-ND1 3.9Å; Y221-H251 AromaticContact CZ-ND1 3.79Å; Y221-H251 PolarHBondContact OH-ND1 2.97Å; Y221-M254 HydrophobicContact CD1-CB 4.09Å; Y221-M254 HydrophobicContact CD1-CG 4.08Å; Y221-M254 HydrophobicContact CE1-CB 4.11Å; Y221-M254 HydrophobicContact CE1-CG 4.3Å
222M97.5Very high96.1Very high13 Ų1368.2 Ų68.26%0.06437%0.369CS..G310 helixtrans-80.7-20.2-179.4-70.816263.300113.4V218 P219 P220 W237 R239 K240 L243V218-M222 HydrophobicContact CG1-CB 4.18Å; V218-M222 HydrophobicContact CG1-CE 4.45Å; P219-M222 VanDerWaalsContact CD-SD 3.59Å; P219-M222 HydrophobicContact CG-CG 4.42Å; P219-M222 HydrophobicContact CG-SD 3.57Å; P219-M222 VanDerWaalsContact CG-SD 3.57Å; P219-M222 PolarHBondContact O-N 3.44Å; P219-M222 VanDerWaalsContact O-N 3.13Å; P220-M222 PolarHBondContact O-N 3.39Å; P220-M222 VanDerWaalsContact O-N 3.15Å; M222-W237 HydrophobicContact CB-CH2 4.41Å; M222-W237 HydrophobicContact CB-CZ3 4.23Å; M222-W237 HydrophobicContact CE-CH2 4.49Å; M222-R239 CarbonylContact O-C 3.59Å; M222-R239 WeakPolarHBondContact O-CA 3.43Å; M222-K240 PolarHBondContact O-N 2.66Å; M222-L243 HydrophobicContact CG-CD1 4.4Å
223I97.6Very high96.1Very high22 Ų2264.8 Ų64.811%0.11336%0.358CS..EExtended strand (participates in β ladder)trans-93.3118.1-167.2-62.2153.9000110.2V218 P220 W237 K240 P290 N291V218-I223 HydrophobicContact CG1-CD1 3.89Å; V218-I223 HydrophobicContact CG1-CG1 3.76Å; P220-I223 PolarHBondContact O-N 3.23Å; P220-I223 VanDerWaalsContact O-N 3.17Å; I223-W237 HydrophobicContact CB-CE3 4.21Å; I223-W237 HydrophobicContact CG1-CD2 4.29Å; I223-W237 HydrophobicContact CG1-CE3 3.62Å; I223-W237 HydrophobicContact CG1-CZ3 3.92Å; I223-W237 HydrophobicContact CG2-CE3 4.39Å; I223-K240 WeakPolarHBondContact O-CE 3.46Å; I223-P290 VanDerWaalsContact CD1-C 3.41Å; I223-P290 HydrophobicContact CD1-CB 3.75Å; I223-N291 HydrophobicContact CD1-CB 3.89Å; I223-N291 HydrophobicContact CG1-CB 4.34Å
224A97.5Very high96.1Very high59 Ų5967 Ų6749%0.48838%0.377SS..EExtended strand (participates in β ladder)trans-82.1-43.8173.500000111.6K238 K240A224-K238 HydrophobicContact CB-CB 4.4Å; A224-K238 WeakPolarHBondContact CB-O 3.36Å; A224-K238 PolarHBondContact N-O 3.46Å; A224-K240 HydrophobicContact CB-CB 4.4Å; A224-K240 HydrophobicContact CB-CG 3.69Å
225S97.5Very high96.2Very high56 Ų5661.2 Ų61.239%0.39235%0.35SS..EExtended strand (participates in β ladder)trans-157.5160177.464.70000109.6W237 K238S225-W237 CarbonylContact O-C 3.58Å; S225-W237 VanDerWaalsContact O-CA 3.32Å; S225-W237 WeakPolarHBondContact O-CA 3.44Å; S225-W237 WeakPolarHBondContact O-CB 3.45Å; S225-K238 PolarHBondContact O-N 3.07Å
226K97Very high96.2Very high89 Ų8964 Ų6439%0.38737%0.366SS..EExtended strand (participates in β ladder)trans-139.6156.1171.561.6171173.5177.10110.5N236 W237 E288 P290K226-N236 CarbonylContact C-O 3.52Å; K226-N236 WeakPolarHBondContact CA-O 3.24Å; K226-W237 HydrophobicContact CB-CB 4.09Å; K226-E288 IonicContact NZ-OE1 2.67Å; K226-E288 PolarHBondContact NZ-OE1 3.17Å; K226-P290 WeakPolarHBondContact CD-O 3.25Å; K226-P290 WeakPolarHBondContact CE-O 3.41Å; K226-P290 PolarHBondContact NZ-O 3.44Å
227E96.5Very high96.4Very high110 Ų11060.9 Ų60.951%0.51435%0.349SS..EExtended strand (participates in β ladder)trans-115.8148171.7-67.9177.6-170.800109.4V229 N236E227-V229 PolarHBondContact O-N 3.09Å; E227-N236 HydrophobicContact CB-CB 4.32Å; E227-N236 PolarHBondContact N-O 3.13Å; E227-N236 PolarHBondContact OE2-ND2 3.1Å
228A94.8Very high96.4Very high105 Ų10565.6 Ų65.687%0.86837%0.368SS*.  trans-64.5132.8175.300000109.9
229V96.2Very high96.4Very high33 Ų3371.9 Ų71.920%0.239%0.392CS..  trans-120159.4176.8-62.40000109.6E227 N236 G292 N294E227-V229 PolarHBondContact O-N 3.09Å; V229-N236 HydrophobicContact CG1-CB 3.73Å; V229-G292 WeakPolarHBondContact CG2-O 3.27Å; V229-N294 PolarHBondContact O-ND2 3.49Å
230R95.5Very high96.3Very high215 Ų21576.2 Ų76.281%0.81141%0.41SS*.  trans-65.5151.4171.8-63.3-179.4-177.7-1780.2109.6G232 S233R230-G232 PolarHBondContact O-N 2.82Å; R230-S233 WeakPolarHBondContact O-CB 3.16Å; R230-S233 PolarHBondContact O-N 3.24Å; R230-S233 PolarHBondContact O-OG 3.37Å
231E94.4Very high96.1Very high111 Ų11182 Ų8252%0.51943%0.431SS..THydrogen-bonded Turntrans-51.1136.3176.3-163.9-168.6150.800112S233 N294 D296E231-S233 PolarHBondContact O-N 3.4Å; E231-N294 WeakPolarHBondContact CA-OD1 3.28Å; E231-D296 VanDerWaalsContact OE1-CB 3.29Å; E231-D296 WeakPolarHBondContact OE1-CB 3.16Å; E231-D296 PolarHBondContact OE1-N 2.61Å
232G93.8Very high95.9Very high46 Ų4690.5 Ų90.547%0.47447%0.469SS..THydrogen-bonded Turntrans69.5-5.9-178.500000115.1R230 N294R230-G232 PolarHBondContact O-N 2.82Å; G232-N294 PolarHBondContact N-O 3.11Å
233S95.1Very high95.7Very high42 Ų4292.3 Ų92.329%0.29448%0.479SS..SBendtrans-76.1149.6175.8-580000110.7R230 E231 A235 Y293R230-S233 WeakPolarHBondContact O-CB 3.16Å; R230-S233 PolarHBondContact O-N 3.24Å; R230-S233 PolarHBondContact O-OG 3.37Å; E231-S233 PolarHBondContact O-N 3.4Å; S233-A235 PolarHBondContact O-N 3.36Å; S233-Y293 WeakPolarHBondContact O-CD2 3.45Å
234P95.1Very high95.5Very high113 Ų11393.7 Ų93.773%0.73449%0.489SS*.PPolyproline II helixtrans-53.9140.4175.4-25.934.5000112.1N236P234-N236 PolarHBondContact O-N 3.27Å
235A96.5Very high95.3Very high28 Ų2898.5 Ų98.523%0.23150%0.501CS..PPolyproline II helixtrans-61.2136.8177.900000111.9S233 N291S233-A235 PolarHBondContact O-N 3.36Å; A235-N291 HydrophobicContact CB-CB 4.34Å
236N97Very high95.2Very high71 Ų7197.3 Ų97.338%0.3849%0.492SS..EExtended strand (participates in β ladder)trans-103.996.2169.8-176.64.1000109.4K226 E227 V229 P234K226-N236 CarbonylContact C-O 3.52Å; K226-N236 WeakPolarHBondContact CA-O 3.24Å; E227-N236 HydrophobicContact CB-CB 4.32Å; E227-N236 PolarHBondContact N-O 3.13Å; E227-N236 PolarHBondContact OE2-ND2 3.1Å; V229-N236 HydrophobicContact CG1-CB 3.73Å; P234-N236 PolarHBondContact O-N 3.27Å
237W97.6Very high95.2Very high45 Ų4593.8 Ų93.817%0.1748%0.478CS..EExtended strand (participates in β ladder)trans-138.7152.7-179.169.8-75.8000111.9V218 M222 I223 S225 K226 R239 N291V218-W237 HydrophobicContact CB-CZ2 4.33Å; V218-W237 HydrophobicContact CG1-CE3 4.36Å; V218-W237 HydrophobicContact CG1-CH2 3.5Å; V218-W237 VanDerWaalsContact CG1-CH2 3.5Å; V218-W237 HydrophobicContact CG1-CZ2 3.66Å; V218-W237 HydrophobicContact CG1-CZ3 3.87Å; V218-W237 HydrophobicContact CG2-CH2 4.33Å; V218-W237 HydrophobicContact CG2-CZ2 3.71Å; M222-W237 HydrophobicContact CB-CH2 4.41Å; M222-W237 HydrophobicContact CB-CZ3 4.23Å; M222-W237 HydrophobicContact CE-CH2 4.49Å; I223-W237 HydrophobicContact CB-CE3 4.21Å; I223-W237 HydrophobicContact CG1-CD2 4.29Å; I223-W237 HydrophobicContact CG1-CE3 3.62Å; I223-W237 HydrophobicContact CG1-CZ3 3.92Å; I223-W237 HydrophobicContact CG2-CE3 4.39Å; S225-W237 CarbonylContact O-C 3.58Å; S225-W237 VanDerWaalsContact O-CA 3.32Å; S225-W237 WeakPolarHBondContact O-CA 3.44Å; S225-W237 WeakPolarHBondContact O-CB 3.45Å; K226-W237 HydrophobicContact CB-CB 4.09Å; W237-R239 HydrophobicContact CH2-CB 4.24Å; W237-R239 HydrophobicContact CZ3-CB 3.82Å; W237-R239 HydrophobicContact CZ3-CG 4.37Å; W237-N291 HydrophobicContact CB-CB 4.36Å; W237-N291 HydrophobicContact CD2-CB 4.18Å; W237-N291 HydrophobicContact CG-CB 3.87Å
238K97.4Very high95.3Very high128 Ų12898.3 Ų98.356%0.55749%0.49SS*.EExtended strand (participates in β ladder)trans-106.1131175.5-65.4-177.1-178.61750109.4A224 S225A224-K238 HydrophobicContact CB-CB 4.4Å; A224-K238 WeakPolarHBondContact CB-O 3.36Å; A224-K238 PolarHBondContact N-O 3.46Å; S225-K238 PolarHBondContact O-N 3.07Å
239R96.3Very high95.4Very high134 Ų13494.9 Ų94.951%0.50646%0.46SS..EExtended strand (participates in β ladder)trans-74.2141.6173.4179.4178.9-74.3-97.74.2110.5M222 W237 E241M222-R239 CarbonylContact O-C 3.59Å; M222-R239 WeakPolarHBondContact O-CA 3.43Å; W237-R239 HydrophobicContact CH2-CB 4.24Å; W237-R239 HydrophobicContact CZ3-CB 3.82Å; W237-R239 HydrophobicContact CZ3-CG 4.37Å; R239-E241 PolarHBondContact O-N 3.14Å
240K96.7Very high95.5Very high90 Ų9093.3 Ų93.339%0.39145%0.45SS..  trans-64.3129.9170.7-66.8-173.9-169.6168.70110.7Y221 M222 I223 A224 L243Y221-K240 WeakPolarHBondContact O-CD 3.19Å; Y221-K240 PolarHBondContact O-NZ 3.18Å; M222-K240 PolarHBondContact O-N 2.66Å; I223-K240 WeakPolarHBondContact O-CE 3.46Å; A224-K240 HydrophobicContact CB-CB 4.4Å; A224-K240 HydrophobicContact CB-CG 3.69Å; K240-L243 HydrophobicContact CB-CD1 3.94Å; K240-L243 HydrophobicContact CB-CD2 4.24Å; K240-L243 HydrophobicContact CB-CG 3.85Å; K240-L243 HydrophobicContact CD-CD2 4.23Å
241E92Very high95.7Very high189 Ų18985.6 Ų85.688%0.88342%0.423SS*.SBendtrans-74.4-39.6-175.9-63178.9175.500113.1R239R239-E241 PolarHBondContact O-N 3.14Å
242K91.5Very high95.8Very high202 Ų20283.1 Ų83.188%0.87841%0.414SS*.SBendtrans-104.273.6-174.9-62.8-176.9-178-179.50111.1
243L93.1Very high96Very high51 Ų5182.6 Ų82.627%0.26740%0.398SS..  trans-109.8138.6172.9-72.4173.9000110.7P78 Y221 M222 K240P78-L243 HydrophobicContact CG-CD2 4.17Å; Y221-L243 HydrophobicContact CD2-CD1 4.28Å; Y221-L243 HydrophobicContact CD2-CD2 4.27Å; Y221-L243 HydrophobicContact CE2-CD1 4.33Å; M222-L243 HydrophobicContact CG-CD1 4.4Å; K240-L243 HydrophobicContact CB-CD1 3.94Å; K240-L243 HydrophobicContact CB-CD2 4.24Å; K240-L243 HydrophobicContact CB-CG 3.85Å; K240-L243 HydrophobicContact CD-CD2 4.23Å
244P93.9Very high96.2Very high50 Ų5081.1 Ų81.133%0.32539%0.386SS..  trans-66.6157.4169.229.8-33.5000110.4P78 E80 V246P78-P244 HydrophobicContact CB-CG 4.04Å; P78-P244 WeakPolarHBondContact O-CG 3.32Å; E80-P244 HydrophobicContact CB-CB 4.3Å; P244-V246 HydrophobicContact CG-CG1 4.47Å; P244-V246 PolarHBondContact O-N 2.9Å
245Q92.9Very high96.3Very high160 Ų16075.9 Ų75.975%0.74835%0.352SS*.  trans-72.3101.8172-175.3174.61.200109.4
246V96.2Very high96.4Very high31 Ų3176.6 Ų76.619%0.18835%0.352CS..  trans-82.2153.5178.4-59.50000111.5P78 Y221 P244 W250 H251P78-V246 HydrophobicContact CB-CG1 3.67Å; Y221-V246 HydrophobicContact CE2-CG2 4.22Å; Y221-V246 WeakPolarHBondContact OH-CG2 3.41Å; P244-V246 HydrophobicContact CG-CG1 4.47Å; P244-V246 PolarHBondContact O-N 2.9Å; V246-W250 HydrophobicContact CB-CE3 3.66Å; V246-W250 HydrophobicContact CB-CZ3 4.08Å; V246-W250 HydrophobicContact CG1-CE3 3.74Å; V246-W250 HydrophobicContact CG1-CZ3 3.71Å; V246-W250 HydrophobicContact CG2-CE3 3.92Å; V246-W250 HydrophobicContact CG2-CZ3 4.15Å; V246-H251 HydrophobicContact CG2-CB 4.29Å
247T97.7Very high96.4Very high16 Ų1674.1 Ų74.110%0.09834%0.34CS..  trans-72.9162.8177.469.70000111.7M82 E83 S249 W250 H251M82-T247 WeakPolarHBondContact O-CB 3.15Å; M82-T247 WeakPolarHBondContact O-CG2 3.28Å; M82-T247 PolarHBondContact O-OG1 2.69Å; E83-T247 HydrophobicContact CG-CG2 4.32Å; E83-T247 VanDerWaalsContact OE1-CB 3.3Å; E83-T247 WeakPolarHBondContact OE1-CB 3.47Å; E83-T247 WeakPolarHBondContact OE1-CG2 3.43Å; T247-S249 PolarHBondContact OG1-OG 3.39Å; T247-W250 WeakPolarHBondContact OG1-CB 3.45Å; T247-W250 PolarHBondContact OG1-N 2.88Å; T247-H251 WeakPolarHBondContact O-CB 3.33Å; T247-H251 PolarHBondContact O-N 2.99Å
248R97.7Very high96.5Very high205 Ų20572.3 Ų72.377%0.77433%0.334SS*.Hα-helixtrans-66.3-40.2177.1-178.7177.4173-167.6-4.9112N252R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.29Å; R248-N252 PolarHBondContact O-N 3.02Å; R248-N252 PolarHBondContact O-ND2 3.41Å
249S97.8Very high96.5Very high32 Ų3266.2 Ų66.222%0.22431%0.308CS..Hα-helixtrans-63.7-43.7-179.7660000110.9E83 A84 T247 N252 Y253E83-S249 VanDerWaalsContact CA-OG 3.28Å; E83-S249 WeakPolarHBondContact CA-OG 3.41Å; E83-S249 WeakPolarHBondContact OE2-CB 3.28Å; E83-S249 PolarHBondContact OE2-OG 2.86Å; A84-S249 PolarHBondContact N-OG 2.81Å; T247-S249 PolarHBondContact OG1-OG 3.39Å; S249-N252 PolarHBondContact O-N 3.14Å; S249-Y253 PolarHBondContact O-N 2.95Å
250W98.2Very high96.5Very high0 Ų061.8 Ų61.80%029%0.293CS..Hα-helixtrans-69.5-42.6179.7-173.786.7000112.3L75 P78 M82 A84 Y221 V246 T247 N252 Y253 M254L75-W250 PolarHBondContact O-NE1 3.32Å; P78-W250 VanDerWaalsContact CA-CH2 3.47Å; P78-W250 HydrophobicContact CB-CH2 3.61Å; P78-W250 HydrophobicContact CB-CZ2 4.33Å; P78-W250 HydrophobicContact CB-CZ3 3.94Å; P78-W250 HydrophobicContact CG-CH2 4.41Å; M82-W250 HydrophobicContact CE-CD2 4.22Å; M82-W250 HydrophobicContact CE-CG 4.01Å; M82-W250 HydrophobicContact CE-CZ2 4.39Å; M82-W250 WeakPolarHBondContact O-CB 3.49Å; A84-W250 HydrophobicContact CB-CB 4.23Å; Y221-W250 AromaticContact CD1-CH2 3.76Å; Y221-W250 HydrophobicContact CD1-CH2 3.76Å; Y221-W250 AromaticContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD2-CH2 4.1Å; Y221-W250 AromaticContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CE1-CE3 4.4Å; Y221-W250 HydrophobicContact CE1-CH2 4.12Å; Y221-W250 AromaticContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE2-CH2 4.45Å; Y221-W250 AromaticContact CE2-CZ3 3.82Å; Y221-W250 HydrophobicContact CE2-CZ3 3.82Å; Y221-W250 AromaticContact CG-CH2 3.76Å; Y221-W250 HydrophobicContact CG-CH2 3.76Å; Y221-W250 AromaticContact CG-CZ3 3.87Å; Y221-W250 HydrophobicContact CG-CZ3 3.87Å; Y221-W250 AromaticContact CZ-CZ3 3.62Å; V246-W250 HydrophobicContact CB-CE3 3.66Å; V246-W250 HydrophobicContact CB-CZ3 4.08Å; V246-W250 HydrophobicContact CG1-CE3 3.74Å; V246-W250 HydrophobicContact CG1-CZ3 3.71Å; V246-W250 HydrophobicContact CG2-CE3 3.92Å; V246-W250 HydrophobicContact CG2-CZ3 4.15Å; T247-W250 WeakPolarHBondContact OG1-CB 3.45Å; T247-W250 PolarHBondContact OG1-N 2.88Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.85Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 3.48Å; W250-M254 HydrophobicContact CD2-CG 4.04Å; W250-M254 HydrophobicContact CE3-CG 3.97Å; W250-M254 HydrophobicContact CH2-CG 3.59Å; W250-M254 HydrophobicContact CH2-SD 4.23Å; W250-M254 HydrophobicContact CZ2-CG 3.63Å; W250-M254 HydrophobicContact CZ2-SD 3.84Å; W250-M254 HydrophobicContact CZ3-CG 3.76Å; W250-M254 WeakPolarHBondContact O-CG 3.16Å; W250-M254 PolarHBondContact O-N 3.33Å
251H98.1Very high96.6Very high54 Ų5461.7 Ų61.725%0.2530%0.296CS..Hα-helixtrans-58.1-45.4172.1176.474.2000111.5Y221 V246 T247 Y253 M254 C255Y221-H251 AromaticContact CE1-ND1 3.9Å; Y221-H251 AromaticContact CZ-ND1 3.79Å; Y221-H251 PolarHBondContact OH-ND1 2.97Å; V246-H251 HydrophobicContact CG2-CB 4.29Å; T247-H251 WeakPolarHBondContact O-CB 3.33Å; T247-H251 PolarHBondContact O-N 2.99Å; H251-Y253 VanDerWaalsContact C-N 3.33Å; H251-Y253 PolarHBondContact O-N 3.38Å; H251-M254 PolarHBondContact O-N 2.67Å; H251-C255 VanDerWaalsContact CE1-SG 3.59Å; H251-C255 PolarHBondContact NE2-SG 3.02Å; H251-C255 VanDerWaalsContact NE2-SG 3.43Å; H251-C255 WeakPolarHBondContact O-CB 3.28Å; H251-C255 PolarHBondContact O-N 3.36Å; H251-C255 PolarHBondContact O-SG 3.18Å; H251-C255 VanDerWaalsContact O-SG 3.41Å
252N97.9Very high96.9Very high59 Ų5952.7 Ų52.732%0.31625%0.254SS..Hα-helixtrans-61.1-40.5177.3-76.1-14.8000112.4R207 R248 S249 W250 C255 N256R207-N252 PolarHBondContact NH2-O 2.72Å; R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.29Å; R248-N252 PolarHBondContact O-N 3.02Å; R248-N252 PolarHBondContact O-ND2 3.41Å; S249-N252 PolarHBondContact O-N 3.14Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.43Å; N252-C255 PolarHBondContact O-N 2.99Å; N252-N256 VanDerWaalsContact O-CG 3.31Å; N252-N256 PolarHBondContact O-N 3.21Å; N252-N256 PolarHBondContact O-OD1 2.82Å
253Y98Very high97.2Very high35 Ų3544 Ų4414%0.13722%0.217CC..Hα-helixtrans-59.3-49174.2171.2-97.6000111.4A40 L75 A84 S249 W250 H251 C255 N256 C257A40-Y253 HydrophobicContact CB-CD2 4.05Å; A40-Y253 HydrophobicContact CB-CE2 3.68Å; L75-Y253 HydrophobicContact CD1-CE1 4.33Å; L75-Y253 HydrophobicContact CD2-CD1 4.45Å; L75-Y253 HydrophobicContact CD2-CE1 3.56Å; L75-Y253 HydrophobicContact CD2-CE2 4.19Å; L75-Y253 VanDerWaalsContact CD2-CZ 3.41Å; L75-Y253 WeakPolarHBondContact CD2-OH 3.29Å; L75-Y253 HydrophobicContact CG-CD1 4.37Å; L75-Y253 HydrophobicContact CG-CE1 3.7Å; A84-Y253 HydrophobicContact CB-CG 4.11Å; S249-Y253 PolarHBondContact O-N 2.95Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 3.48Å; H251-Y253 VanDerWaalsContact C-N 3.33Å; H251-Y253 PolarHBondContact O-N 3.38Å; Y253-C255 VanDerWaalsContact C-N 3.29Å; Y253-C255 PolarHBondContact O-N 3.23Å; Y253-N256 WeakPolarHBondContact O-CB 3.3Å; Y253-N256 PolarHBondContact O-N 3.41Å; Y253-C257 PolarHBondContact O-N 3.22Å; Y253-C257 PolarHBondContact O-SG 3.35Å
254M98.2Very high97.3Very high11 Ų1145.8 Ų45.85%0.05424%0.239CC..Hα-helixtrans-62-37.8178-67.6-54.6-60.500112.5R76 P219 Y221 W250 H251 C257 V258R76-M254 HydrophobicContact CB-CE 4.12Å; R76-M254 HydrophobicContact CB-SD 4.13Å; R76-M254 HydrophobicContact CG-CE 4.13Å; R76-M254 HydrophobicContact CG-SD 3.92Å; P219-M254 HydrophobicContact CB-CB 3.89Å; P219-M254 HydrophobicContact CG-CB 4.43Å; Y221-M254 HydrophobicContact CD1-CB 4.09Å; Y221-M254 HydrophobicContact CD1-CG 4.08Å; Y221-M254 HydrophobicContact CE1-CB 4.11Å; Y221-M254 HydrophobicContact CE1-CG 4.3Å; W250-M254 HydrophobicContact CD2-CG 4.04Å; W250-M254 HydrophobicContact CE3-CG 3.97Å; W250-M254 HydrophobicContact CH2-CG 3.59Å; W250-M254 HydrophobicContact CH2-SD 4.23Å; W250-M254 HydrophobicContact CZ2-CG 3.63Å; W250-M254 HydrophobicContact CZ2-SD 3.84Å; W250-M254 HydrophobicContact CZ3-CG 3.76Å; W250-M254 WeakPolarHBondContact O-CG 3.16Å; W250-M254 PolarHBondContact O-N 3.33Å; H251-M254 PolarHBondContact O-N 2.67Å; M254-C257 WeakPolarHBondContact O-CB 3.48Å; M254-C257 PolarHBondContact O-N 3.04Å; M254-V258 PolarHBondContact O-N 2.82Å
255C98.3Very high97.5Very high2 Ų246.6 Ų46.61%0.01425%0.246CC..Hα-helixtrans-64.6-40.4172.3-76.30000112.3L217 H251 N252 Y253 C257 V258 I259L217-C255 HydrophobicContact CD2-CB 3.59Å; L217-C255 HydrophobicContact CG-CB 4.21Å; H251-C255 VanDerWaalsContact CE1-SG 3.59Å; H251-C255 PolarHBondContact NE2-SG 3.02Å; H251-C255 VanDerWaalsContact NE2-SG 3.43Å; H251-C255 WeakPolarHBondContact O-CB 3.28Å; H251-C255 PolarHBondContact O-N 3.36Å; H251-C255 PolarHBondContact O-SG 3.18Å; H251-C255 VanDerWaalsContact O-SG 3.41Å; N252-C255 WeakPolarHBondContact O-CB 3.43Å; N252-C255 PolarHBondContact O-N 2.99Å; Y253-C255 VanDerWaalsContact C-N 3.29Å; Y253-C255 PolarHBondContact O-N 3.23Å; C255-C257 VanDerWaalsContact C-N 3.3Å; C255-C257 PolarHBondContact O-N 3.18Å; C255-V258 PolarHBondContact O-N 3.48Å; C255-I259 WeakPolarHBondContact O-CD1 3.22Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 2.82Å; C255-I259 VanDerWaalsContact O-N 3.1Å
256N97.8Very high97.7Very high43 Ų4339.1 Ų39.123%0.2321%0.211CC..Hα-helixtrans-62.2-36.9174.8-74.1-7.4000111.8T203 R207 N252 Y253 V258 I259 Q260T203-N256 HydrophobicContact CG2-CB 4.39Å; T203-N256 WeakPolarHBondContact CG2-OD1 3.37Å; R207-N256 PolarHBondContact NE-OD1 3.04Å; R207-N256 VanDerWaalsContact NE-OD1 3.15Å; R207-N256 PolarHBondContact NH2-OD1 3.11Å; N252-N256 VanDerWaalsContact O-CG 3.31Å; N252-N256 PolarHBondContact O-N 3.21Å; N252-N256 PolarHBondContact O-OD1 2.82Å; Y253-N256 WeakPolarHBondContact O-CB 3.3Å; Y253-N256 PolarHBondContact O-N 3.41Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.95Å; N256-I259 PolarHBondContact O-N 2.95Å; N256-Q260 WeakPolarHBondContact O-CB 3.26Å; N256-Q260 WeakPolarHBondContact O-CG 3.48Å; N256-Q260 PolarHBondContact O-N 3.4Å
257C97.8Very high97.8Very high19 Ų1938 Ų3813%0.12820%0.204CC..Hα-helixtrans-59.5-37.8174.4-65.60000112.6Y253 M254 C255 D261Y253-C257 PolarHBondContact O-N 3.22Å; Y253-C257 PolarHBondContact O-SG 3.35Å; M254-C257 WeakPolarHBondContact O-CB 3.48Å; M254-C257 PolarHBondContact O-N 3.04Å; C255-C257 VanDerWaalsContact C-N 3.3Å; C255-C257 PolarHBondContact O-N 3.18Å; C257-D261 PolarHBondContact O-N 3.44Å; C257-D261 VanDerWaalsContact O-N 3.16Å
258V98.3Very high97.8Very high8 Ų837.8 Ų37.85%0.04820%0.202CC..Hα-helixtrans-68.3-43175.6179.80000110.9L217 P219 M254 C255 N256 Q260 D261 F262 F289 P290L217-V258 HydrophobicContact CD1-CB 4Å; L217-V258 HydrophobicContact CD1-CG1 3.71Å; P219-V258 HydrophobicContact CB-CG2 4.4Å; M254-V258 PolarHBondContact O-N 2.82Å; C255-V258 PolarHBondContact O-N 3.48Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.95Å; V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.06Å; V258-D261 PolarHBondContact O-N 3.28Å; V258-F262 PolarHBondContact O-N 3.46Å; V258-F289 HydrophobicContact CG1-CD1 4.31Å; V258-P290 HydrophobicContact CG1-CG 3.83Å; V258-P290 HydrophobicContact CG2-CG 3.85Å
259I98.3Very high97.8Very high0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-63-39.8177.4-66.1154.5000111.2T203 C206 R207 F210 L217 C255 N256 D261 F262 Q263T203-I259 HydrophobicContact CG2-CB 4.25Å; T203-I259 HydrophobicContact CG2-CD1 4.07Å; T203-I259 HydrophobicContact CG2-CG2 3.82Å; C206-I259 HydrophobicContact CB-CG2 3.48Å; C206-I259 VanDerWaalsContact CB-CG2 3.48Å; R207-I259 HydrophobicContact CG-CD1 3.35Å; R207-I259 HydrophobicContact CG-CG1 4.4Å; F210-I259 HydrophobicContact CD2-CG1 4.43Å; F210-I259 HydrophobicContact CE2-CG1 3.83Å; L217-I259 HydrophobicContact CD1-CG1 4.18Å; L217-I259 HydrophobicContact CD2-CD1 3.53Å; L217-I259 HydrophobicContact CD2-CG1 3.8Å; C255-I259 WeakPolarHBondContact O-CD1 3.22Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 2.82Å; C255-I259 VanDerWaalsContact O-N 3.1Å; N256-I259 PolarHBondContact O-N 2.95Å; I259-D261 VanDerWaalsContact C-N 3.33Å; I259-D261 PolarHBondContact O-N 3.12Å; I259-F262 WeakPolarHBondContact O-CB 3.18Å; I259-F262 PolarHBondContact O-N 3.1Å; I259-Q263 HydrophobicContact CG2-CG 4.34Å; I259-Q263 VanDerWaalsContact O-CG 3.22Å; I259-Q263 WeakPolarHBondContact O-CG 3.37Å; I259-Q263 PolarHBondContact O-N 3.16Å
260Q97.3Very high97.6Very high41 Ų4126.9 Ų26.919%0.19216%0.157CC..Hα-helixtrans-66.3-35.6178.6-73.5163.2-15.700112.3Y21 N256 V258 Q263 A264Y21-Q260 PolarHBondContact OH-OE1 3.26Å; N256-Q260 WeakPolarHBondContact O-CB 3.26Å; N256-Q260 WeakPolarHBondContact O-CG 3.48Å; N256-Q260 PolarHBondContact O-N 3.4Å; V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.06Å; Q260-Q263 WeakPolarHBondContact O-CB 3.34Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q260-A264 PolarHBondContact O-N 3Å
261D97.7Very high97.3Very high87 Ų8731 Ų3147%0.46518%0.179SC..Hα-helixtrans-65.1-44.6172-179.180.5000111.7C257 V258 I259 Q263 A264 S265 Y287C257-D261 PolarHBondContact O-N 3.44Å; C257-D261 VanDerWaalsContact O-N 3.16Å; V258-D261 PolarHBondContact O-N 3.28Å; I259-D261 VanDerWaalsContact C-N 3.33Å; I259-D261 PolarHBondContact O-N 3.12Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; D261-Q263 PolarHBondContact O-N 2.96Å; D261-A264 PolarHBondContact O-N 2.87Å; D261-S265 VanDerWaalsContact O-CB 3.3Å; D261-S265 WeakPolarHBondContact O-CB 3.34Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 2.75Å; D261-Y287 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y287 PolarHBondContact OD2-OH 3.31Å
262F98.3Very high97Very high0 Ų031.1 Ų31.10%019%0.186CC..Hα-helixtrans-57.3-45.5170.8170.9-92.8000111.9C206 L209 F210 V258 I259 A264 S265 V266 L267 Y287 F289 F297C206-F262 HydrophobicContact CB-CD1 4.48Å; L209-F262 HydrophobicContact CD2-CZ 4.47Å; F210-F262 HydrophobicContact CE1-CD1 4.15Å; F210-F262 HydrophobicContact CE1-CD2 4.22Å; F210-F262 AromaticContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE2 4.03Å; F210-F262 HydrophobicContact CE1-CG 4.28Å; F210-F262 AromaticContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CZ-CB 4.24Å; F210-F262 AromaticContact CZ-CD1 3.68Å; F210-F262 HydrophobicContact CZ-CD1 3.68Å; F210-F262 AromaticContact CZ-CD2 3.99Å; F210-F262 HydrophobicContact CZ-CD2 3.99Å; F210-F262 AromaticContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE2 4.25Å; F210-F262 AromaticContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CZ 4.25Å; V258-F262 PolarHBondContact O-N 3.46Å; I259-F262 WeakPolarHBondContact O-CB 3.18Å; I259-F262 PolarHBondContact O-N 3.1Å; F262-A264 PolarHBondContact O-N 3.21Å; F262-S265 PolarHBondContact O-N 3.38Å; F262-V266 HydrophobicContact CD2-CB 4.03Å; F262-V266 HydrophobicContact CD2-CG1 4.49Å; F262-V266 HydrophobicContact CD2-CG2 3.58Å; F262-V266 HydrophobicContact CE1-CB 4.46Å; F262-V266 HydrophobicContact CE2-CB 3.75Å; F262-V266 HydrophobicContact CE2-CG1 3.73Å; F262-V266 HydrophobicContact CE2-CG2 3.62Å; F262-V266 HydrophobicContact CG-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CB 3.99Å; F262-V266 HydrophobicContact CZ-CG1 3.82Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 VanDerWaalsContact O-CB 3.32Å; F262-V266 WeakPolarHBondContact O-CB 3.31Å; F262-V266 WeakPolarHBondContact O-CG2 3.38Å; F262-V266 PolarHBondContact O-N 3.17Å; F262-L267 HydrophobicContact CE1-CD2 4.03Å; F262-Y287 HydrophobicContact CB-CE1 4.03Å; F262-Y287 HydrophobicContact CB-CE2 4.25Å; F262-Y287 AromaticContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD2 4.33Å; F262-Y287 AromaticContact CD2-CE1 3.95Å; F262-Y287 HydrophobicContact CD2-CE1 3.95Å; F262-Y287 AromaticContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CE2-CD1 4.48Å; F262-Y287 PolarHBondContact N-OH 3.05Å; F262-F289 HydrophobicContact CD2-CZ 4.45Å; F262-F297 HydrophobicContact CD2-CE2 4.41Å; F262-F297 HydrophobicContact CD2-CZ 4.44Å; F262-F297 AromaticContact CE2-CD1 3.96Å; F262-F297 HydrophobicContact CE2-CD1 3.96Å; F262-F297 AromaticContact CE2-CD2 3.82Å; F262-F297 HydrophobicContact CE2-CD2 3.82Å; F262-F297 AromaticContact CE2-CE1 3.74Å; F262-F297 HydrophobicContact CE2-CE1 3.74Å; F262-F297 AromaticContact CE2-CE2 3.61Å; F262-F297 HydrophobicContact CE2-CE2 3.61Å; F262-F297 AromaticContact CE2-CG 3.99Å; F262-F297 HydrophobicContact CE2-CG 3.99Å; F262-F297 AromaticContact CE2-CZ 3.55Å; F262-F297 HydrophobicContact CE2-CZ 3.55Å; F262-F297 AromaticContact CZ-CD1 3.94Å; F262-F297 HydrophobicContact CZ-CD1 3.94Å; F262-F297 AromaticContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CG 4.25Å; F262-F297 HydrophobicContact CZ-CZ 4.19Å
263Q97.5Very high96.7Very high20 Ų2032.4 Ų32.49%0.09320%0.196CC..Hα-helixtrans-57.4-48.7179-74.5166.42.100112.2I202 T203 I259 Q260 D261 S265 L267I202-Q263 HydrophobicContact CG2-CG 3.76Å; T203-Q263 PolarHBondContact OG1-NE2 3.22Å; I259-Q263 HydrophobicContact CG2-CG 4.34Å; I259-Q263 VanDerWaalsContact O-CG 3.22Å; I259-Q263 WeakPolarHBondContact O-CG 3.37Å; I259-Q263 PolarHBondContact O-N 3.16Å; Q260-Q263 WeakPolarHBondContact O-CB 3.34Å; Q260-Q263 PolarHBondContact O-N 3.11Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; D261-Q263 PolarHBondContact O-N 2.96Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 2.81Å; Q263-L267 HydrophobicContact CB-CD1 4Å; Q263-L267 HydrophobicContact CG-CD1 3.76Å; Q263-L267 WeakPolarHBondContact O-CB 3.39Å; Q263-L267 PolarHBondContact O-N 2.81Å
264A95.8Very high96.5Very high89 Ų8933 Ų3374%0.73620%0.198SC*.Hα-helixtrans-67.6-28.9-179.400000112.6Q260 D261 F262Q260-A264 PolarHBondContact O-N 3Å; D261-A264 PolarHBondContact O-N 2.87Å; F262-A264 PolarHBondContact O-N 3.21Å
265S97.4Very high96.2Very high67 Ų6735.9 Ų35.947%0.46921%0.214SC..Hα-helixtrans-92.1-29.9-174.2-56.60000114D261 F262 Q263D261-S265 VanDerWaalsContact O-CB 3.3Å; D261-S265 WeakPolarHBondContact O-CB 3.34Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 2.75Å; F262-S265 PolarHBondContact O-N 3.38Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 2.81Å
266V98.1Very high96Very high3 Ų340.6 Ų40.62%0.01824%0.236CC..Hα-helixtrans-118.7-36.9-164.5-175.20000113.4F262 V285 Y287 F297 R301F262-V266 HydrophobicContact CD2-CB 4.03Å; F262-V266 HydrophobicContact CD2-CG1 4.49Å; F262-V266 HydrophobicContact CD2-CG2 3.58Å; F262-V266 HydrophobicContact CE1-CB 4.46Å; F262-V266 HydrophobicContact CE2-CB 3.75Å; F262-V266 HydrophobicContact CE2-CG1 3.73Å; F262-V266 HydrophobicContact CE2-CG2 3.62Å; F262-V266 HydrophobicContact CG-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CB 3.99Å; F262-V266 HydrophobicContact CZ-CG1 3.82Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 VanDerWaalsContact O-CB 3.32Å; F262-V266 WeakPolarHBondContact O-CB 3.31Å; F262-V266 WeakPolarHBondContact O-CG2 3.38Å; F262-V266 PolarHBondContact O-N 3.17Å; V266-V285 HydrophobicContact CG1-CB 4.33Å; V266-V285 HydrophobicContact CG1-CG1 4.33Å; V266-V285 HydrophobicContact CG2-CG1 4.35Å; V266-Y287 HydrophobicContact CG2-CD2 3.66Å; V266-Y287 HydrophobicContact CG2-CG 3.8Å; V266-F297 HydrophobicContact CG1-CB 3.67Å; V266-F297 HydrophobicContact CG1-CD2 4.14Å; V266-F297 HydrophobicContact CG1-CG 3.96Å; V266-R301 HydrophobicContact CG1-CB 3.84Å; V266-R301 WeakPolarHBondContact O-CD 3.43Å
267L98Very high95.8Very high6 Ų645.7 Ų45.73%0.03126%0.258CS..  trans-73.3142.8-171.6-60.9-176.3000112.3I202 F262 Q263 R301 I304 P305 I357I202-L267 HydrophobicContact CG2-CD1 3.44Å; I202-L267 VanDerWaalsContact CG2-CD1 3.44Å; F262-L267 HydrophobicContact CE1-CD2 4.03Å; Q263-L267 HydrophobicContact CB-CD1 4Å; Q263-L267 HydrophobicContact CG-CD1 3.76Å; Q263-L267 WeakPolarHBondContact O-CB 3.39Å; Q263-L267 PolarHBondContact O-N 2.81Å; L267-R301 HydrophobicContact CD2-CB 4.28Å; L267-R301 WeakPolarHBondContact CD2-O 3.25Å; L267-I304 HydrophobicContact CD1-CB 4.49Å; L267-I304 HydrophobicContact CD1-CG2 3.86Å; L267-I304 HydrophobicContact CD2-CB 4.01Å; L267-I304 HydrophobicContact CD2-CD1 3.93Å; L267-I304 HydrophobicContact CD2-CG2 4.23Å; L267-P305 HydrophobicContact CB-CG 4.42Å; L267-I357 HydrophobicContact CB-CG2 4.22Å
268Q97.4Very high95.6Very high13 Ų1348.5 Ų48.56%0.06127%0.274CS..BIsolated β-bridgetrans-141.5134.2176.6175.1179.4-13.700108.8R301 L302 P305 Q358Q268-R301 VanDerWaalsContact CB-NH1 3.28Å; Q268-R301 PolarHBondContact N-O 3.33Å; Q268-L302 VanDerWaalsContact O-CA 3.28Å; Q268-L302 WeakPolarHBondContact O-CA 3.17Å; Q268-P305 WeakPolarHBondContact O-CG 3.31Å; Q268-Q358 HydrophobicContact CB-CB 4.18Å; Q268-Q358 HydrophobicContact CG-CB 4.03Å; Q268-Q358 HydrophobicContact CG-CG 4.03Å
269V96.8Very high95.4Very high0 Ų048.2 Ų48.20%027%0.273CS..  trans-73.8133.3172.4174.40000109D271 P305 F309 I357 Q358 S359 F360 R363V269-D271 PolarHBondContact O-N 3.12Å; V269-P305 HydrophobicContact CG2-CB 3.87Å; V269-P305 HydrophobicContact CG2-CG 4.34Å; V269-F309 HydrophobicContact CB-CE2 4.38Å; V269-F309 HydrophobicContact CG1-CD2 3.94Å; V269-F309 HydrophobicContact CG1-CE2 3.51Å; V269-F309 HydrophobicContact CG1-CZ 4.13Å; V269-F309 HydrophobicContact CG2-CE2 3.85Å; V269-I357 HydrophobicContact CG2-CB 4.44Å; V269-I357 HydrophobicContact CG2-CG2 3.86Å; V269-Q358 PolarHBondContact N-O 2.88Å; V269-S359 VanDerWaalsContact O-CB 3.28Å; V269-S359 WeakPolarHBondContact O-CB 3.39Å; V269-F360 HydrophobicContact CG2-CB 4.07Å; V269-F360 HydrophobicContact CG2-CD2 4.11Å; V269-R363 HydrophobicContact CG1-CB 3.42Å; V269-R363 VanDerWaalsContact CG1-CB 3.42Å; V269-R363 HydrophobicContact CG1-CG 3.51Å
270S95.3Very high95.2Very high8 Ų851.8 Ų51.86%0.05630%0.303CS..  trans-59.7132.2171.9-64.20000109.7S272 R363S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 CarbonylContact C-O 3.44Å; S270-S272 WeakPolarHBondContact CB-O 3.31Å; S270-S272 PolarHBondContact O-N 3.36Å; S270-R363 WeakPolarHBondContact O-CD 3.36Å; S270-R363 PolarHBondContact O-NH1 3.48Å
271D91.1Very high95.1Very high87 Ų8757.5 Ų57.547%0.46533%0.33SS..SBendtrans-53.9-57.2-179.9-78.5-13.6000108.3V269 S359 R363 R366V269-D271 PolarHBondContact O-N 3.12Å; D271-S359 WeakPolarHBondContact OD1-CB 3.22Å; D271-S359 PolarHBondContact OD1-OG 2.76Å; D271-R363 WeakPolarHBondContact O-CD 3.27Å; D271-R366 PolarHBondContact O-NH1 3.37Å; D271-R366 PolarHBondContact O-NH2 3.32Å
272S92Very high94.9Very high55 Ų5556.5 Ų56.539%0.38532%0.323SS..SBendtrans-91.1177.8171.958.40000113.9S270 Y274 R363 R366S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 CarbonylContact C-O 3.44Å; S270-S272 WeakPolarHBondContact CB-O 3.31Å; S270-S272 PolarHBondContact O-N 3.36Å; S272-Y274 PolarHBondContact O-N 3.15Å; S272-R363 PolarHBondContact O-NH1 3.03Å; S272-R366 VanDerWaalsContact CA-NH2 3.26Å
273T91.7Very high94.8Very high87 Ų8761 Ų6153%0.53435%0.352SS..SBendtrans-45.3135.4163.4-55.50000109.2D275T273-D275 PolarHBondContact O-N 3.23Å
274Y92.6Very high94.8Very high46 Ų4663.6 Ų63.618%0.1837%0.369CS..  trans-56.3125.4-174.9179.8-91.5000111.4S272 E276 A279 L302 K303 E306S272-Y274 PolarHBondContact O-N 3.15Å; Y274-E276 HydrophobicContact CE1-CB 4.29Å; Y274-E276 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E276 PolarHBondContact OH-OE1 2.99Å; Y274-E276 PolarHBondContact OH-OE2 3.32Å; Y274-A279 HydrophobicContact CE2-CB 3.84Å; Y274-L302 HydrophobicContact CD2-CB 4.32Å; Y274-L302 HydrophobicContact CE2-CB 4.08Å; Y274-K303 HydrophobicContact CE2-CB 3.85Å; Y274-K303 HydrophobicContact CE2-CG 4.47Å; Y274-E306 HydrophobicContact CG-CG 4.34Å; Y274-E306 PolarHBondContact N-OE1 3.27Å
275D93.3Very high94.9Very high72 Ų7261.2 Ų61.239%0.38535%0.346SS..  trans-126.5119.8173.4-178-60.1000107.6T273 Q277 V278 A279T273-D275 PolarHBondContact O-N 3.23Å; D275-Q277 VanDerWaalsContact C-N 3.26Å; D275-Q277 PolarHBondContact O-N 2.8Å; D275-Q277 WeakPolarHBondContact OD1-CA 3.46Å; D275-Q277 VanDerWaalsContact OD1-CB 3.32Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.49Å; D275-Q277 PolarHBondContact OD1-N 3.16Å; D275-V278 HydrophobicContact CB-CB 4.11Å; D275-V278 HydrophobicContact CB-CG2 3.95Å; D275-V278 PolarHBondContact O-N 3.32Å; D275-V278 PolarHBondContact OD1-N 3.22Å; D275-V278 VanDerWaalsContact OD1-N 3.09Å; D275-A279 VanDerWaalsContact O-CB 3.31Å; D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.92Å
276E92.7Very high94.9Very high101 Ų10162.6 Ų62.647%0.47234%0.344SS..Hα-helixtrans-60.2-35.6-176.1-170.576.1-137.600112Y274 A280Y274-E276 HydrophobicContact CE1-CB 4.29Å; Y274-E276 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E276 PolarHBondContact OH-OE1 2.99Å; Y274-E276 PolarHBondContact OH-OE2 3.32Å; E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.19Å
277Q94.3Very high94.9Very high150 Ų15063.1 Ų63.170%0.70135%0.346SS*.Hα-helixtrans-72.6-39.2-179.1-58.8-178.2-0.900111.4D275 Q281D275-Q277 VanDerWaalsContact C-N 3.26Å; D275-Q277 PolarHBondContact O-N 2.8Å; D275-Q277 WeakPolarHBondContact OD1-CA 3.46Å; D275-Q277 VanDerWaalsContact OD1-CB 3.32Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.49Å; D275-Q277 PolarHBondContact OD1-N 3.16Å; Q277-Q281 WeakPolarHBondContact O-CG 3.47Å
278V94.2Very high94.9Very high78 Ų7867.3 Ų67.347%0.47337%0.365SS..Hα-helixtrans-68.3-44.3174.4179.30000110.2D275 A280 Q281 M282D275-V278 HydrophobicContact CB-CB 4.11Å; D275-V278 HydrophobicContact CB-CG2 3.95Å; D275-V278 PolarHBondContact O-N 3.32Å; D275-V278 PolarHBondContact OD1-N 3.22Å; D275-V278 VanDerWaalsContact OD1-N 3.09Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.39Å; V278-Q281 PolarHBondContact O-N 2.86Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; V278-M282 PolarHBondContact O-N 3.28Å
279A94Very high94.9Very high3 Ų366.7 Ų66.73%0.02536%0.363CS..Hα-helixtrans-62.3-38.2178.700000112.2Y274 D275 Q281 M282 A299 L302Y274-A279 HydrophobicContact CE2-CB 3.84Å; D275-A279 VanDerWaalsContact O-CB 3.31Å; D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.92Å; A279-Q281 PolarHBondContact O-N 2.83Å; A279-M282 WeakPolarHBondContact O-CB 3.24Å; A279-M282 PolarHBondContact O-N 3.42Å; A279-M282 VanDerWaalsContact O-N 3.14Å; A279-A299 HydrophobicContact CB-CB 3.72Å; A279-L302 HydrophobicContact CB-CD1 4.39Å
280A94.3Very high95Very high75 Ų7568.1 Ų68.162%0.6237%0.372SS*.THydrogen-bonded Turntrans-67.1-17.8176.600000114.1E276 V278E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.19Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.39Å
281Q94.8Very high95.1Very high161 Ų16168 Ų6875%0.75237%0.37SS*.THydrogen-bonded Turntrans-90.1-10.7175.4-66.9172.219.200112.8Q277 V278 A279Q277-Q281 WeakPolarHBondContact O-CG 3.47Å; V278-Q281 PolarHBondContact O-N 2.86Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; A279-Q281 PolarHBondContact O-N 2.83Å
282M94.4Very high95.3Very high66 Ų6663.9 Ų63.933%0.32535%0.349SS..SBendtrans-72.1144.3178.6-69.6-68-72.500110.7V278 A279 T284 L302V278-M282 PolarHBondContact O-N 3.28Å; A279-M282 WeakPolarHBondContact O-CB 3.24Å; A279-M282 PolarHBondContact O-N 3.42Å; A279-M282 VanDerWaalsContact O-N 3.14Å; M282-T284 PolarHBondContact O-N 3.42Å; M282-L302 HydrophobicContact CG-CD2 4.43Å
283P95.9Very high95.6Very high94 Ų9463.1 Ų63.161%0.6134%0.338SS*.PPolyproline II helixtrans-56.1140.9172.3-24.534.1000111.6R301P283-R301 PolarHBondContact O-NH2 3.14Å
284T97Very high95.9Very high74 Ų7459.8 Ų59.845%0.45432%0.317SS..PPolyproline II helixtrans-67.4156.6170.5530000110.7M282 D296 F297M282-T284 PolarHBondContact O-N 3.42Å; T284-D296 HydrophobicContact CG2-CB 4.19Å; T284-D296 PolarHBondContact OG1-OD2 3.12Å; T284-F297 CarbonylContact C-O 3.47Å; T284-F297 WeakPolarHBondContact CA-O 3.31Å
285V97.7Very high96.1Very high40 Ų4058 Ų5824%0.24231%0.311CS..EExtended strand (participates in β ladder)trans-118.5124.4171.9174.90000108.5V266 F297V266-V285 HydrophobicContact CG1-CB 4.33Å; V266-V285 HydrophobicContact CG1-CG1 4.33Å; V266-V285 HydrophobicContact CG2-CG1 4.35Å; V285-F297 PolarHBondContact N-O 3.22Å; V285-F297 PolarHBondContact O-N 2.98Å
286H97.6Very high96.3Very high96 Ų9657.2 Ų57.244%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-74.6139.8176.8-171.473.8000111.4N294 D296H286-N294 PolarHBondContact CE1-OD1 2.58Å; H286-D296 WeakPolarHBondContact CA-OD1 3.19Å; H286-D296 WeakPolarHBondContact CB-OD1 3.49Å; H286-D296 IonicContact CG-OD1 3.55Å; H286-D296 IonicContact ND1-OD1 2.94Å; H286-D296 PolarHBondContact ND1-OD1 2.94Å
287Y98.1Very high96.5Very high14 Ų1452.4 Ų52.46%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-143135.5170.8-175.8-97000111.8D261 F262 V266 F289 N294 C295D261-Y287 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y287 PolarHBondContact OD2-OH 3.31Å; F262-Y287 HydrophobicContact CB-CE1 4.03Å; F262-Y287 HydrophobicContact CB-CE2 4.25Å; F262-Y287 AromaticContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD2 4.33Å; F262-Y287 AromaticContact CD2-CE1 3.95Å; F262-Y287 HydrophobicContact CD2-CE1 3.95Å; F262-Y287 AromaticContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CE2-CD1 4.48Å; F262-Y287 PolarHBondContact N-OH 3.05Å; V266-Y287 HydrophobicContact CG2-CD2 3.66Å; V266-Y287 HydrophobicContact CG2-CG 3.8Å; Y287-F289 HydrophobicContact CD1-CD1 4.45Å; Y287-F289 AromaticContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CE1 4.38Å; Y287-F289 AromaticContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CG 4.19Å; Y287-F289 HydrophobicContact CD1-CZ 4.03Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD2 4.04Å; Y287-F289 AromaticContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE2 4.15Å; Y287-F289 AromaticContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CZ 4.13Å; Y287-N294 VanDerWaalsContact O-CA 3.29Å; Y287-N294 WeakPolarHBondContact O-CA 3.48Å; Y287-C295 PolarHBondContact N-O 3.23Å; Y287-C295 VanDerWaalsContact N-O 3.14Å; Y287-C295 PolarHBondContact O-N 3.48Å
288E97.6Very high96.6Very high93 Ų9345.9 Ų45.944%0.43526%0.257SS..EExtended strand (participates in β ladder)trans-108.4118174.6-176.9-175.4159.200110.1K226 N294K226-E288 IonicContact NZ-OE1 2.67Å; K226-E288 PolarHBondContact NZ-OE1 3.17Å; E288-N294 HydrophobicContact CB-CB 3.95Å; E288-N294 HydrophobicContact CG-CB 4.07Å
289F98Very high96.6Very high1 Ų142.7 Ų42.70%0.00424%0.239CC..  trans-69.9158.9174.5-71.1-96.7000111.3F210 I215 V258 F262 Y287 N291 G292 Y293 F297F210-F289 HydrophobicContact CD1-CZ 4.21Å; F210-F289 HydrophobicContact CD2-CE1 4.39Å; F210-F289 HydrophobicContact CE1-CE1 4.11Å; F210-F289 AromaticContact CE1-CZ 3.73Å; F210-F289 HydrophobicContact CE1-CZ 3.73Å; F210-F289 AromaticContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CZ 4.34Å; F210-F289 AromaticContact CZ-CE1 3.72Å; F210-F289 HydrophobicContact CZ-CE1 3.72Å; F210-F289 AromaticContact CZ-CZ 3.8Å; F210-F289 HydrophobicContact CZ-CZ 3.8Å; I215-F289 HydrophobicContact CD1-CE2 4.29Å; I215-F289 HydrophobicContact CD1-CZ 4.26Å; I215-F289 HydrophobicContact CG2-CD1 4.41Å; I215-F289 HydrophobicContact CG2-CD2 4.36Å; I215-F289 HydrophobicContact CG2-CE1 3.99Å; I215-F289 HydrophobicContact CG2-CE2 3.92Å; I215-F289 HydrophobicContact CG2-CZ 3.73Å; V258-F289 HydrophobicContact CG1-CD1 4.31Å; F262-F289 HydrophobicContact CD2-CZ 4.45Å; Y287-F289 HydrophobicContact CD1-CD1 4.45Å; Y287-F289 AromaticContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CE1 4.38Å; Y287-F289 AromaticContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CG 4.19Å; Y287-F289 HydrophobicContact CD1-CZ 4.03Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD2 4.04Å; Y287-F289 AromaticContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE2 4.15Å; Y287-F289 AromaticContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CZ 4.13Å; F289-N291 WeakPolarHBondContact CB-OD1 3.45Å; F289-N291 PolarHBondContact O-N 2.87Å; F289-G292 PolarHBondContact O-N 3.37Å; F289-Y293 WeakPolarHBondContact CB-O 3.19Å; F289-Y293 AromaticContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CE1 4.34Å; F289-Y293 WeakPolarHBondContact CD2-O 3.47Å; F289-Y293 AromaticContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CE1 4.21Å; F289-Y293 HydrophobicContact CG-CD1 4.42Å; F289-Y293 PolarHBondContact N-O 3.23Å; F289-F297 HydrophobicContact CE2-CE2 4.18Å; F289-F297 AromaticContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CZ-CZ 4.03Å
290P97.7Very high96.6Very high30 Ų3044.9 Ų44.920%0.19525%0.249CC..THydrogen-bonded Turntrans-53.7-34.5-177.9-3036.2000114.7P220 I223 K226 V258 G292P220-P290 HydrophobicContact CG-CB 3.96Å; P220-P290 HydrophobicContact CG-CG 4.06Å; I223-P290 VanDerWaalsContact CD1-C 3.41Å; I223-P290 HydrophobicContact CD1-CB 3.75Å; K226-P290 WeakPolarHBondContact CD-O 3.25Å; K226-P290 WeakPolarHBondContact CE-O 3.41Å; K226-P290 PolarHBondContact NZ-O 3.44Å; V258-P290 HydrophobicContact CG1-CG 3.83Å; V258-P290 HydrophobicContact CG2-CG 3.85Å; P290-G292 PolarHBondContact O-N 3.47Å
291N97Very high96.6Very high4 Ų441.6 Ų41.62%0.02122%0.22CC..THydrogen-bonded Turntrans-76.5-3.6178.164.7-11000114.3V218 I223 A235 W237 F289 Y293V218-N291 HydrophobicContact CB-CB 3.95Å; V218-N291 HydrophobicContact CG1-CB 4.23Å; V218-N291 HydrophobicContact CG2-CB 4.34Å; I223-N291 HydrophobicContact CD1-CB 3.89Å; I223-N291 HydrophobicContact CG1-CB 4.34Å; A235-N291 HydrophobicContact CB-CB 4.34Å; W237-N291 HydrophobicContact CB-CB 4.36Å; W237-N291 HydrophobicContact CD2-CB 4.18Å; W237-N291 HydrophobicContact CG-CB 3.87Å; F289-N291 WeakPolarHBondContact CB-OD1 3.45Å; F289-N291 PolarHBondContact O-N 2.87Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Y293 PolarHBondContact OD1-N 3.32Å; N291-Y293 VanDerWaalsContact OD1-N 3.16Å
292G97.1Very high96.7Very high1 Ų134.1 Ų34.11%0.0119%0.186CC..SBendtrans91.4-4.5-179.400000114.6V229 F289 P290 N294V229-G292 WeakPolarHBondContact CG2-O 3.27Å; F289-G292 PolarHBondContact O-N 3.37Å; P290-G292 PolarHBondContact O-N 3.47Å; G292-N294 PolarHBondContact O-N 3.2Å; G292-N294 PolarHBondContact O-ND2 3.18Å
293Y97.6Very high96.7Very high39 Ų3936.2 Ų36.215%0.15319%0.193CC..  trans-59.7131.9166.3179.3-105.7000108.2I215 S233 F289 N291 C295I215-Y293 HydrophobicContact CB-CE1 4.35Å; I215-Y293 HydrophobicContact CD1-CE1 3.82Å; I215-Y293 HydrophobicContact CG1-CD1 4.41Å; I215-Y293 HydrophobicContact CG1-CE1 3.61Å; I215-Y293 HydrophobicContact CG2-CD1 3.89Å; I215-Y293 HydrophobicContact CG2-CE1 3.96Å; S233-Y293 WeakPolarHBondContact O-CD2 3.45Å; F289-Y293 WeakPolarHBondContact CB-O 3.19Å; F289-Y293 AromaticContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CE1 4.34Å; F289-Y293 WeakPolarHBondContact CD2-O 3.47Å; F289-Y293 AromaticContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CE1 4.21Å; F289-Y293 HydrophobicContact CG-CD1 4.42Å; F289-Y293 PolarHBondContact N-O 3.23Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Y293 PolarHBondContact OD1-N 3.32Å; N291-Y293 VanDerWaalsContact OD1-N 3.16Å; Y293-C295 HydrophobicContact CE1-CB 4.27Å
294N97.5Very high96.6Very high17 Ų1732.3 Ų32.39%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-143.1142.6179.762.889.3000110.2V229 E231 G232 H286 Y287 E288 G292V229-N294 PolarHBondContact O-ND2 3.49Å; E231-N294 WeakPolarHBondContact CA-OD1 3.28Å; G232-N294 PolarHBondContact N-O 3.11Å; H286-N294 PolarHBondContact CE1-OD1 2.58Å; Y287-N294 VanDerWaalsContact O-CA 3.29Å; Y287-N294 WeakPolarHBondContact O-CA 3.48Å; E288-N294 HydrophobicContact CB-CB 3.95Å; E288-N294 HydrophobicContact CG-CB 4.07Å; G292-N294 PolarHBondContact O-N 3.2Å; G292-N294 PolarHBondContact O-ND2 3.18Å
295C96.8Very high96.5Very high9 Ų928.8 Ų28.86%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-157.3161.5176.861.30000110.2Y287 Y293 F297Y287-C295 PolarHBondContact N-O 3.23Å; Y287-C295 VanDerWaalsContact N-O 3.14Å; Y287-C295 PolarHBondContact O-N 3.48Å; Y293-C295 HydrophobicContact CE1-CB 4.27Å; C295-F297 WeakPolarHBondContact SG-CE2 3.26Å; C295-F297 WeakPolarHBondContact SG-CZ 3.39Å
296D97Very high96.4Very high55 Ų5527.3 Ų27.329%0.29414%0.136SC..EExtended strand (participates in β ladder)trans-84.4137.4170.9-84.716.4000111.8E231 T284 H286E231-D296 VanDerWaalsContact OE1-CB 3.29Å; E231-D296 WeakPolarHBondContact OE1-CB 3.16Å; E231-D296 PolarHBondContact OE1-N 2.61Å; T284-D296 HydrophobicContact CG2-CB 4.19Å; T284-D296 PolarHBondContact OG1-OD2 3.12Å; H286-D296 WeakPolarHBondContact CA-OD1 3.19Å; H286-D296 WeakPolarHBondContact CB-OD1 3.49Å; H286-D296 IonicContact CG-OD1 3.55Å; H286-D296 IonicContact ND1-OD1 2.94Å; H286-D296 PolarHBondContact ND1-OD1 2.94Å
297F97.5Very high96.2Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-108.1124.2176.1-67.7-90.8000111L209 F210 M213 I215 F262 V266 T284 V285 F289 C295 E300 R301L209-F297 HydrophobicContact CD2-CD1 4.37Å; L209-F297 HydrophobicContact CD2-CE1 4.32Å; F210-F297 HydrophobicContact CE1-CE1 4.47Å; M213-F297 HydrophobicContact CE-CD1 4.35Å; M213-F297 HydrophobicContact CE-CE1 3.99Å; M213-F297 HydrophobicContact SD-CD1 4.35Å; M213-F297 HydrophobicContact SD-CE1 3.86Å; I215-F297 HydrophobicContact CD1-CE1 4.2Å; I215-F297 HydrophobicContact CD1-CZ 3.97Å; F262-F297 HydrophobicContact CD2-CE2 4.41Å; F262-F297 HydrophobicContact CD2-CZ 4.44Å; F262-F297 AromaticContact CE2-CD1 3.96Å; F262-F297 HydrophobicContact CE2-CD1 3.96Å; F262-F297 AromaticContact CE2-CD2 3.82Å; F262-F297 HydrophobicContact CE2-CD2 3.82Å; F262-F297 AromaticContact CE2-CE1 3.74Å; F262-F297 HydrophobicContact CE2-CE1 3.74Å; F262-F297 AromaticContact CE2-CE2 3.61Å; F262-F297 HydrophobicContact CE2-CE2 3.61Å; F262-F297 AromaticContact CE2-CG 3.99Å; F262-F297 HydrophobicContact CE2-CG 3.99Å; F262-F297 AromaticContact CE2-CZ 3.55Å; F262-F297 HydrophobicContact CE2-CZ 3.55Å; F262-F297 AromaticContact CZ-CD1 3.94Å; F262-F297 HydrophobicContact CZ-CD1 3.94Å; F262-F297 AromaticContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CG 4.25Å; F262-F297 HydrophobicContact CZ-CZ 4.19Å; V266-F297 HydrophobicContact CG1-CB 3.67Å; V266-F297 HydrophobicContact CG1-CD2 4.14Å; V266-F297 HydrophobicContact CG1-CG 3.96Å; T284-F297 CarbonylContact C-O 3.47Å; T284-F297 WeakPolarHBondContact CA-O 3.31Å; V285-F297 PolarHBondContact N-O 3.22Å; V285-F297 PolarHBondContact O-N 2.98Å; F289-F297 HydrophobicContact CE2-CE2 4.18Å; F289-F297 AromaticContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CZ-CZ 4.03Å; C295-F297 WeakPolarHBondContact SG-CE2 3.26Å; C295-F297 WeakPolarHBondContact SG-CZ 3.39Å; F297-E300 WeakPolarHBondContact CA-OE1 3.29Å; F297-E300 HydrophobicContact CD1-CG 4.16Å; F297-R301 HydrophobicContact CB-CB 4.41Å; F297-R301 WeakPolarHBondContact O-CD 3.41Å
298G95.8Very high96.1Very high13 Ų1322.3 Ų22.313%0.13411%0.114CC..  trans-100.3-125.8-17700000113E300 R301G298-E300 VanDerWaalsContact C-OE2 3.22Å; G298-E300 WeakPolarHBondContact CA-OE2 3.34Å; G298-E300 PolarHBondContact N-OE1 3.31Å; G298-E300 PolarHBondContact N-OE2 3.35Å; G298-E300 PolarHBondContact O-N 3.14Å; G298-R301 WeakPolarHBondContact O-CG 3.29Å; G298-R301 PolarHBondContact O-N 3.46Å
299A95Very high96Very high11 Ų1118 Ų189%0.0919%0.094CC..THydrogen-bonded Turntrans-60.8-27.1-174.700000113.9A279 R301 L302 K303A279-A299 HydrophobicContact CB-CB 3.72Å; A299-R301 VanDerWaalsContact C-N 3.27Å; A299-R301 PolarHBondContact O-N 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-L302 VanDerWaalsContact O-N 3.1Å; A299-K303 PolarHBondContact O-N 3.31Å
300E93.3Very high95.7Very high49 Ų4920.2 Ų20.223%0.22911%0.105CC..Hα-helixtrans-62.2-30.8179.566-80-17400113.2L209 F297 G298 L302 K303 I304L209-E300 HydrophobicContact CD1-CB 3.92Å; L209-E300 HydrophobicContact CD1-CG 3.99Å; L209-E300 HydrophobicContact CD2-CB 4.25Å; L209-E300 HydrophobicContact CD2-CG 3.86Å; F297-E300 WeakPolarHBondContact CA-OE1 3.29Å; F297-E300 HydrophobicContact CD1-CG 4.16Å; G298-E300 VanDerWaalsContact C-OE2 3.22Å; G298-E300 WeakPolarHBondContact CA-OE2 3.34Å; G298-E300 PolarHBondContact N-OE1 3.31Å; G298-E300 PolarHBondContact N-OE2 3.35Å; G298-E300 PolarHBondContact O-N 3.14Å; E300-L302 PolarHBondContact O-N 2.91Å; E300-K303 PolarHBondContact O-N 3.42Å; E300-I304 PolarHBondContact O-N 2.6Å
301R95.6Very high95.4Very high6 Ų619.9 Ų19.92%0.02310%0.104CC..Hα-helixtrans-68.3-20.1176.883.2-162.7171.976.51.6113V266 L267 Q268 P283 F297 G298 A299 P305V266-R301 HydrophobicContact CG1-CB 3.84Å; V266-R301 WeakPolarHBondContact O-CD 3.43Å; L267-R301 HydrophobicContact CD2-CB 4.28Å; L267-R301 WeakPolarHBondContact CD2-O 3.25Å; Q268-R301 VanDerWaalsContact CB-NH1 3.28Å; Q268-R301 PolarHBondContact N-O 3.33Å; P283-R301 PolarHBondContact O-NH2 3.14Å; F297-R301 HydrophobicContact CB-CB 4.41Å; F297-R301 WeakPolarHBondContact O-CD 3.41Å; G298-R301 WeakPolarHBondContact O-CG 3.29Å; G298-R301 PolarHBondContact O-N 3.46Å; A299-R301 VanDerWaalsContact C-N 3.27Å; A299-R301 PolarHBondContact O-N 2.97Å; R301-P305 VanDerWaalsContact O-CD 3.24Å; R301-P305 WeakPolarHBondContact O-CD 3.46Å
302L96.4Very high94.8Very high5 Ų523.2 Ų23.23%0.02613%0.127CC..Hα-helixtrans-90.4-29.8174.4-59.7101000112.7Q268 Y274 A279 M282 A299 E300 P305 E306Q268-L302 VanDerWaalsContact O-CA 3.28Å; Q268-L302 WeakPolarHBondContact O-CA 3.17Å; Y274-L302 HydrophobicContact CD2-CB 4.32Å; Y274-L302 HydrophobicContact CE2-CB 4.08Å; A279-L302 HydrophobicContact CB-CD1 4.39Å; M282-L302 HydrophobicContact CG-CD2 4.43Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-L302 VanDerWaalsContact O-N 3.1Å; E300-L302 PolarHBondContact O-N 2.91Å; L302-P305 WeakPolarHBondContact O-CD 3.48Å; L302-E306 PolarHBondContact O-N 3.19Å
303K93.6Very high93.8Very high110 Ų11029 Ų2948%0.47816%0.158SC..Hα-helixtrans-69.1-37.3-178.9-170.1171.9-174.3162.80113.1Y274 A299 E300 E306Y274-K303 HydrophobicContact CE2-CB 3.85Å; Y274-K303 HydrophobicContact CE2-CG 4.47Å; A299-K303 PolarHBondContact O-N 3.31Å; E300-K303 PolarHBondContact O-N 3.42Å; K303-E306 WeakPolarHBondContact O-CB 3.23Å; K303-E306 PolarHBondContact O-N 3.14Å
304I94.2Very high92.9Very high12 Ų1228 Ų286%0.06216%0.156CC..Hα-helixtrans-60.5-57.7179.7-69.9168.1000112.1I202 Q205 L209 L267 E300 E306 G307I202-I304 HydrophobicContact CG2-CG2 3.77Å; Q205-I304 HydrophobicContact CB-CG1 4.36Å; Q205-I304 HydrophobicContact CB-CG2 3.92Å; L209-I304 HydrophobicContact CB-CD1 4.22Å; L209-I304 HydrophobicContact CD2-CD1 3.63Å; L267-I304 HydrophobicContact CD1-CB 4.49Å; L267-I304 HydrophobicContact CD1-CG2 3.86Å; L267-I304 HydrophobicContact CD2-CB 4.01Å; L267-I304 HydrophobicContact CD2-CD1 3.93Å; L267-I304 HydrophobicContact CD2-CG2 4.23Å; E300-I304 PolarHBondContact O-N 2.6Å; I304-E306 PolarHBondContact O-N 2.78Å; I304-G307 PolarHBondContact O-N 2.89Å
305P96Very high91.6Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-71.9-14.4-179.230.6-37.5000113L267 Q268 V269 R301 L302 G307 L308 I357L267-P305 HydrophobicContact CB-CG 4.42Å; Q268-P305 WeakPolarHBondContact O-CG 3.31Å; V269-P305 HydrophobicContact CG2-CB 3.87Å; V269-P305 HydrophobicContact CG2-CG 4.34Å; R301-P305 VanDerWaalsContact O-CD 3.24Å; R301-P305 WeakPolarHBondContact O-CD 3.46Å; L302-P305 WeakPolarHBondContact O-CD 3.48Å; P305-G307 PolarHBondContact O-N 2.93Å; P305-L308 VanDerWaalsContact O-CB 3.29Å; P305-L308 WeakPolarHBondContact O-CB 3.42Å; P305-L308 WeakPolarHBondContact O-CG 3.45Å; P305-L308 PolarHBondContact O-N 3.15Å; P305-I357 HydrophobicContact CB-CD1 4.47Å; P305-I357 HydrophobicContact CB-CG2 4.36Å
306E95.5Very high90Very high9 Ų936 Ų364%0.04221%0.21CC..Hα-helixtrans-56.3-35.9170.5-17663.4-166.900111.7Y274 L302 K303 I304 L308 F309 D310 R363Y274-E306 HydrophobicContact CG-CG 4.34Å; Y274-E306 PolarHBondContact N-OE1 3.27Å; L302-E306 PolarHBondContact O-N 3.19Å; K303-E306 WeakPolarHBondContact O-CB 3.23Å; K303-E306 PolarHBondContact O-N 3.14Å; I304-E306 PolarHBondContact O-N 2.78Å; E306-L308 PolarHBondContact O-N 2.93Å; E306-F309 PolarHBondContact O-N 3.04Å; E306-D310 HydrophobicContact CG-CB 4.46Å; E306-D310 PolarHBondContact O-N 2.97Å; E306-R363 IonicContact OE1-CZ 2.93Å; E306-R363 IonicContact OE1-NH1 3.09Å; E306-R363 PolarHBondContact OE1-NH1 2.78Å; E306-R363 IonicContact OE1-NH2 3.03Å; E306-R363 PolarHBondContact OE1-NH2 2.8Å; E306-R363 IonicContact OE2-CZ 3.68Å; E306-R363 IonicContact OE2-NH1 3.81Å; E306-R363 PolarHBondContact OE2-NH1 3.27Å; E306-R363 IonicContact OE2-NH2 3.86Å; E306-R363 PolarHBondContact OE2-NH2 3.03Å
307G93.6Very high88.5Confident4 Ų435.7 Ų35.74%0.04121%0.208CC..Hα-helixtrans-58.5-19.5177.800000114.1I304 P305I304-G307 PolarHBondContact O-N 2.89Å; P305-G307 PolarHBondContact O-N 2.93Å
308L95.4Very high86.1Confident0 Ų041.8 Ų41.80%025%0.251CS..Hα-helixtrans-71.7-34.4171.2-57.8176.1000112.1L197 F201 I202 P305 E306 G324 V325 I357 F360L197-L308 HydrophobicContact CB-CD2 4.24Å; L197-L308 WeakPolarHBondContact O-CD2 3.46Å; F201-L308 HydrophobicContact CD1-CD2 4.02Å; F201-L308 HydrophobicContact CE1-CD2 4.45Å; I202-L308 HydrophobicContact CD1-CD1 3.73Å; I202-L308 HydrophobicContact CD1-CD2 4.07Å; I202-L308 HydrophobicContact CD1-CG 4.23Å; I202-L308 HydrophobicContact CG1-CD1 4.35Å; I202-L308 HydrophobicContact CG1-CD2 4.01Å; I202-L308 HydrophobicContact CG1-CG 4.33Å; P305-L308 VanDerWaalsContact O-CB 3.29Å; P305-L308 WeakPolarHBondContact O-CB 3.42Å; P305-L308 WeakPolarHBondContact O-CG 3.45Å; P305-L308 PolarHBondContact O-N 3.15Å; E306-L308 PolarHBondContact O-N 2.93Å; L308-G324 CarbonylContact O-C 3.53Å; L308-G324 WeakPolarHBondContact O-CA 3.43Å; L308-V325 HydrophobicContact CB-CG2 3.97Å; L308-V325 WeakPolarHBondContact O-CG2 3.4Å; L308-V325 PolarHBondContact O-N 3.43Å; L308-I357 HydrophobicContact CD1-CD1 4.34Å; L308-F360 HydrophobicContact CD1-CD2 4.45Å; L308-F360 HydrophobicContact CD1-CE2 4.07Å
309F95.5Very high84.1Confident4 Ų442.9 Ų42.92%0.01826%0.262CS..Hα-helixtrans-94.9-39.9-176.2-70.8-89.6000112.3V269 E306 V325 F360 R363 L364V269-F309 HydrophobicContact CB-CE2 4.38Å; V269-F309 HydrophobicContact CG1-CD2 3.94Å; V269-F309 HydrophobicContact CG1-CE2 3.51Å; V269-F309 HydrophobicContact CG1-CZ 4.13Å; V269-F309 HydrophobicContact CG2-CE2 3.85Å; E306-F309 PolarHBondContact O-N 3.04Å; F309-V325 HydrophobicContact CD1-CB 4.32Å; F309-V325 HydrophobicContact CE1-CB 4.16Å; F309-F360 AromaticContact CE2-CD2 3.85Å; F309-F360 HydrophobicContact CE2-CD2 3.85Å; F309-F360 AromaticContact CE2-CE2 3.93Å; F309-F360 HydrophobicContact CE2-CE2 3.93Å; F309-F360 AromaticContact CZ-CD2 3.88Å; F309-F360 HydrophobicContact CZ-CD2 3.88Å; F309-F360 AromaticContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CG 4.24Å; F309-F360 HydrophobicContact CZ-CZ 4.23Å; F309-R363 HydrophobicContact CD1-CG 3.61Å; F309-R363 HydrophobicContact CD2-CG 4.1Å; F309-R363 HydrophobicContact CE1-CB 4.21Å; F309-R363 HydrophobicContact CE1-CG 3.47Å; F309-R363 VanDerWaalsContact CE1-CG 3.47Å; F309-R363 HydrophobicContact CE2-CG 3.99Å; F309-R363 HydrophobicContact CG-CG 3.92Å; F309-R363 HydrophobicContact CZ-CB 4.1Å; F309-R363 HydrophobicContact CZ-CG 3.67Å; F309-L364 HydrophobicContact CE1-CB 4.06Å; F309-L364 HydrophobicContact CE1-CD1 4.36Å; F309-L364 HydrophobicContact CZ-CB 4.4Å
310D92.5Very high82.2Confident46 Ų4650.1 Ų50.125%0.24630%0.299CS..  trans-130.995.4178.5-175.27.9000111.5E306 S312E306-D310 HydrophobicContact CG-CB 4.46Å; E306-D310 PolarHBondContact O-N 2.97Å; D310-S312 PolarHBondContact O-N 2.9Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.03Å; D310-S312 PolarHBondContact OD1-OG 3.44Å; D310-S312 PolarHBondContact OD2-OG 3.31Å; D310-S312 VanDerWaalsContact OD2-OG 3.1Å
311P89.5Confident81.2Confident24 Ų2453.7 Ų53.716%0.15633%0.325CS..G310 helixtrans-75.6-4.717927.4-30.5000114.2L197 N313 V314 M322L197-P311 HydrophobicContact CD1-CB 3.7Å; L197-P311 HydrophobicContact CD1-CG 3.97Å; P311-N313 PolarHBondContact O-N 3.2Å; P311-V314 PolarHBondContact O-N 3.33Å; P311-M322 HydrophobicContact CB-CB 4.28Å; P311-M322 HydrophobicContact CG-CB 4.32Å; P311-M322 VanDerWaalsContact CG-O 3.22Å; P311-M322 WeakPolarHBondContact CG-O 3.33Å
312S85.5Confident80.7Confident74 Ų7456.2 Ų56.252%0.51734%0.337SS..G310 helixtrans-62.9-26.2-175.267.20000113.5D310D310-S312 PolarHBondContact O-N 2.9Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.03Å; D310-S312 PolarHBondContact OD1-OG 3.44Å; D310-S312 PolarHBondContact OD2-OG 3.31Å; D310-S312 VanDerWaalsContact OD2-OG 3.1Å
313N76.9Confident80.5Confident123 Ų12358.7 Ų58.766%0.65835%0.35SS*.G310 helixtrans-101.85.9-176.8-64.5-52.4000113.8P311P311-N313 PolarHBondContact O-N 3.2Å
314V77.8Confident80.5Confident17 Ų1753.4 Ų53.410%0.10333%0.327CS..  trans-81.3125.5-175.7175.70000110.5F201 P311 L317F201-V314 HydrophobicContact CE2-CG1 3.43Å; F201-V314 VanDerWaalsContact CE2-CG1 3.43Å; F201-V314 HydrophobicContact CE2-CG2 4.42Å; F201-V314 HydrophobicContact CZ-CB 4.36Å; F201-V314 HydrophobicContact CZ-CG1 3.59Å; F201-V314 HydrophobicContact CZ-CG2 3.76Å; P311-V314 PolarHBondContact O-N 3.33Å; V314-L317 HydrophobicContact CB-CB 4.46Å; V314-L317 HydrophobicContact CB-CD1 3.76Å; V314-L317 HydrophobicContact CB-CG 4.27Å; V314-L317 HydrophobicContact CG1-CB 4.33Å; V314-L317 HydrophobicContact CG1-CD1 3.46Å; V314-L317 VanDerWaalsContact CG1-CD1 3.46Å; V314-L317 HydrophobicContact CG1-CG 3.73Å; V314-L317 HydrophobicContact CG2-CD1 4.36Å
315K69.3Low80.7Confident119 Ų11953 Ų5352%0.51733%0.325SS..THydrogen-bonded Turntrans-65.5140.5177.5-62.9-179.4-173.91760110.3E212 L317E212-K315 IonicContact OE1-NZ 3.17Å; E212-K315 PolarHBondContact OE1-NZ 3.22Å; E212-K315 IonicContact OE2-NZ 2.79Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.27Å
316G65Low80.7Confident75 Ų7553 Ų5377%0.77333%0.325SS*.THydrogen-bonded Turntrans81.9-15.8176.500000115.8S318G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.1Å
317L63.9Low80.7Confident48 Ų4856.6 Ų56.625%0.25134%0.342SS..  trans-80.578170.7-69.1-178000110.2L197 F201 V314 K315 G319 M322L197-L317 HydrophobicContact CD2-CD1 3.82Å; F201-L317 HydrophobicContact CE2-CD1 4.43Å; V314-L317 HydrophobicContact CB-CB 4.46Å; V314-L317 HydrophobicContact CB-CD1 3.76Å; V314-L317 HydrophobicContact CB-CG 4.27Å; V314-L317 HydrophobicContact CG1-CB 4.33Å; V314-L317 HydrophobicContact CG1-CD1 3.46Å; V314-L317 VanDerWaalsContact CG1-CD1 3.46Å; V314-L317 HydrophobicContact CG1-CG 3.73Å; V314-L317 HydrophobicContact CG2-CD1 4.36Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.27Å; L317-G319 PolarHBondContact O-N 3.34Å; L317-M322 HydrophobicContact CD1-SD 3.63Å; L317-M322 HydrophobicContact CD2-CE 3.34Å; L317-M322 HydrophobicContact CD2-SD 3.55Å; L317-M322 VanDerWaalsContact CD2-SD 3.55Å; L317-M322 HydrophobicContact CG-SD 4.25Å
318S47.1Very low80.9Confident129 Ų12956.4 Ų56.490%0.90234%0.34SS*.  trans-74.174.5170.5-60.10000109.8G316G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.1Å
319G53.5Low81Confident36 Ų3656.4 Ų56.437%0.37134%0.34SS..  trans164.8109.8176.400000112.3L317 T321L317-G319 PolarHBondContact O-N 3.34Å; G319-T321 PolarHBondContact O-N 3.27Å
320N55.7Low81.1Confident163 Ų16357.5 Ų57.587%0.87235%0.347SS*.THydrogen-bonded Turntrans-61.621.2175.6-72-14.6000114.8
321T73.1Confident81.4Confident124 Ų12457.9 Ų57.976%0.76135%0.351SS*.THydrogen-bonded Turntrans-98.2-10.1-171.8570000113.6G319G319-T321 PolarHBondContact O-N 3.27Å
322M85.5Confident81.8Confident58 Ų5856.7 Ų56.729%0.28634%0.343SS..PPolyproline II helixtrans-78.8133.9178.2-61.7-160.7176.600110.7P196 L197 P311 L317P196-M322 HydrophobicContact CG-CE 3.58Å; P196-M322 HydrophobicContact CG-SD 3.66Å; L197-M322 HydrophobicContact CD1-CB 3.92Å; L197-M322 HydrophobicContact CD2-SD 3.69Å; L197-M322 HydrophobicContact CG-CB 4.3Å; L197-M322 HydrophobicContact CG-SD 4.02Å; P311-M322 HydrophobicContact CB-CB 4.28Å; P311-M322 HydrophobicContact CG-CB 4.32Å; P311-M322 VanDerWaalsContact CG-O 3.22Å; P311-M322 WeakPolarHBondContact CG-O 3.33Å; L317-M322 HydrophobicContact CD1-SD 3.63Å; L317-M322 HydrophobicContact CD2-CE 3.34Å; L317-M322 HydrophobicContact CD2-SD 3.55Å; L317-M322 VanDerWaalsContact CD2-SD 3.55Å; L317-M322 HydrophobicContact CG-SD 4.25Å
323L91.6Very high82.4Confident57 Ų5753.2 Ų53.230%0.29832%0.319SS..PPolyproline II helixtrans-93.2126.2178.2-60177.8000109.1V193 S195 H327 V328 T331V193-L323 HydrophobicContact CG1-CD1 3.74Å; S195-L323 WeakPolarHBondContact CB-O 3.38Å; S195-L323 PolarHBondContact OG-O 3.21Å; L323-H327 HydrophobicContact CB-CB 4.04Å; L323-H327 HydrophobicContact CD2-CB 4.13Å; L323-V328 HydrophobicContact CB-CG2 3.66Å; L323-T331 HydrophobicContact CD1-CG2 4.24Å
324G94.2Very high83.3Confident0 Ų049.1 Ų49.10%031%0.306CS..PPolyproline II helixtrans-66.2163.8166.700000112L308 S326 H327 V328L308-G324 CarbonylContact O-C 3.53Å; L308-G324 WeakPolarHBondContact O-CA 3.43Å; G324-S326 VanDerWaalsContact C-N 3.31Å; G324-S326 PolarHBondContact O-N 3.3Å; G324-S326 VanDerWaalsContact O-N 3.16Å; G324-H327 CarbonylContact O-C 3.56Å; G324-H327 WeakPolarHBondContact O-CA 3.38Å; G324-H327 WeakPolarHBondContact O-CB 3.27Å; G324-H327 PolarHBondContact O-N 2.61Å; G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 2.91Å
325V96.8Very high84.3Confident3 Ų353 Ų532%0.01832%0.324CS..Hα-helixtrans-49.6-46.8-172179.80000112.9L170 T177 L308 F309 H327 V328 V329 F360 L364L170-V325 HydrophobicContact CD1-CG1 4.03Å; L170-V325 HydrophobicContact CD2-CG1 3.54Å; L170-V325 HydrophobicContact CG-CG1 4.32Å; T177-V325 HydrophobicContact CG2-CG2 4.36Å; L308-V325 HydrophobicContact CB-CG2 3.97Å; L308-V325 WeakPolarHBondContact O-CG2 3.4Å; L308-V325 PolarHBondContact O-N 3.43Å; F309-V325 HydrophobicContact CD1-CB 4.32Å; F309-V325 HydrophobicContact CE1-CB 4.16Å; V325-H327 PolarHBondContact O-N 3.14Å; V325-V328 WeakPolarHBondContact O-CB 3.2Å; V325-V328 PolarHBondContact O-N 3.48Å; V325-V329 PolarHBondContact O-N 2.61Å; V325-F360 HydrophobicContact CB-CZ 4.49Å; V325-F360 HydrophobicContact CG1-CE1 4.4Å; V325-F360 HydrophobicContact CG1-CZ 3.81Å; V325-F360 HydrophobicContact CG2-CE2 4.11Å; V325-F360 HydrophobicContact CG2-CZ 3.95Å; V325-L364 HydrophobicContact CG1-CD1 3.71Å; V325-L364 HydrophobicContact CG1-CD2 4.47Å
326S96.3Very high85.6Confident0 Ų047.4 Ų47.40%030%0.3CS..Hα-helixtrans-70.6-30.8-179.8630000113.1G324 T330 E367 K371G324-S326 VanDerWaalsContact C-N 3.31Å; G324-S326 PolarHBondContact O-N 3.3Å; G324-S326 VanDerWaalsContact O-N 3.16Å; S326-T330 WeakPolarHBondContact O-CG2 3.47Å; S326-T330 PolarHBondContact O-N 3.09Å; S326-T330 PolarHBondContact O-OG1 3.11Å; S326-E367 WeakPolarHBondContact CB-OE2 3.39Å; S326-E367 PolarHBondContact OG-OE2 3.32Å; S326-K371 PolarHBondContact OG-NZ 3.24Å
327H96Very high87.1Confident85 Ų8549.2 Ų49.239%0.39429%0.292SS..Hα-helixtrans-72.4-35.4173.8-71.3110.2000111.8L323 G324 V325 V329 T330 T331 K371L323-H327 HydrophobicContact CB-CB 4.04Å; L323-H327 HydrophobicContact CD2-CB 4.13Å; G324-H327 CarbonylContact O-C 3.56Å; G324-H327 WeakPolarHBondContact O-CA 3.38Å; G324-H327 WeakPolarHBondContact O-CB 3.27Å; G324-H327 PolarHBondContact O-N 2.61Å; V325-H327 PolarHBondContact O-N 3.14Å; H327-V329 VanDerWaalsContact C-N 3.32Å; H327-V329 PolarHBondContact O-N 3.41Å; H327-T330 WeakPolarHBondContact CA-OG1 3.49Å; H327-T330 PolarHBondContact O-N 3.28Å; H327-T330 PolarHBondContact O-OG1 3.14Å; H327-T331 WeakPolarHBondContact O-CB 3.3Å; H327-T331 PolarHBondContact O-N 2.95Å; H327-T331 PolarHBondContact O-OG1 3.33Å; H327-K371 PolarHBondContact CE1-NZ 3.01Å; H327-K371 PolarHBondContact ND1-NZ 3.01Å; H327-K371 PolarHBondContact NE2-NZ 3.49Å
328V97.4Very high88.6Confident0 Ų052.4 Ų52.40%031%0.308CS..Hα-helixtrans-58.2-46.4172.4171.30000110.4A179 V193 L323 G324 V325 S332A179-V328 HydrophobicContact CB-CG1 3.55Å; V193-V328 HydrophobicContact CB-CG1 4.21Å; V193-V328 HydrophobicContact CG1-CB 4.35Å; V193-V328 HydrophobicContact CG1-CG1 4Å; V193-V328 HydrophobicContact CG1-CG2 4.41Å; L323-V328 HydrophobicContact CB-CG2 3.66Å; G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 2.91Å; V325-V328 WeakPolarHBondContact O-CB 3.2Å; V325-V328 PolarHBondContact O-N 3.48Å; V328-S332 VanDerWaalsContact O-CB 3.3Å; V328-S332 WeakPolarHBondContact O-CB 3.34Å; V328-S332 PolarHBondContact O-N 3.39Å; V328-S332 VanDerWaalsContact O-N 3.08Å
329V98.2Very high90.9Very high0 Ų053.2 Ų53.20%030%0.302CS..Hα-helixtrans-62.2-54.4175.8164.60000112.4L168 L170 A179 V325 H327 T331 S332 V333 L368L168-V329 HydrophobicContact CD2-CB 3.99Å; L168-V329 HydrophobicContact CD2-CG1 3.49Å; L168-V329 VanDerWaalsContact CD2-CG1 3.49Å; L168-V329 HydrophobicContact CD2-CG2 3.98Å; L170-V329 HydrophobicContact CB-CG2 4.29Å; L170-V329 HydrophobicContact CD1-CG2 3.85Å; L170-V329 HydrophobicContact CD2-CG2 4.03Å; L170-V329 HydrophobicContact CG-CG2 4.28Å; A179-V329 HydrophobicContact CB-CG2 4.41Å; V325-V329 PolarHBondContact O-N 2.61Å; H327-V329 VanDerWaalsContact C-N 3.32Å; H327-V329 PolarHBondContact O-N 3.41Å; V329-T331 VanDerWaalsContact C-N 3.34Å; V329-T331 PolarHBondContact O-N 3.4Å; V329-S332 WeakPolarHBondContact O-CB 3.39Å; V329-S332 PolarHBondContact O-N 2.83Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.42Å; V329-L368 HydrophobicContact CB-CD2 3.85Å; V329-L368 HydrophobicContact CG1-CD1 3.96Å; V329-L368 HydrophobicContact CG1-CD2 3.47Å; V329-L368 VanDerWaalsContact CG1-CD2 3.47Å; V329-L368 HydrophobicContact CG1-CG 4.38Å; V329-L368 HydrophobicContact CG2-CD1 4.47Å
330T97.5Very high93Very high27 Ų2752.7 Ų52.717%0.16629%0.291CS..Hα-helixtrans-67.1-34.9-175.147.80000112.6S326 H327 G334 L368 K371S326-T330 WeakPolarHBondContact O-CG2 3.47Å; S326-T330 PolarHBondContact O-N 3.09Å; S326-T330 PolarHBondContact O-OG1 3.11Å; H327-T330 WeakPolarHBondContact CA-OG1 3.49Å; H327-T330 PolarHBondContact O-N 3.28Å; H327-T330 PolarHBondContact O-OG1 3.14Å; T330-G334 PolarHBondContact O-N 2.94Å; T330-L368 HydrophobicContact CG2-CD2 4.12Å; T330-K371 HydrophobicContact CG2-CB 3.75Å; T330-K371 HydrophobicContact CG2-CD 4.14Å
331T97.8Very high94.9Very high53 Ų5348.4 Ų48.433%0.32526%0.262SS..Hα-helixtrans-64.6-46.7173.2-56.20000110.6V193 L323 H327 V329 V333 G334 M335V193-T331 HydrophobicContact CG1-CG2 4.44Å; V193-T331 HydrophobicContact CG2-CG2 3.93Å; L323-T331 HydrophobicContact CD1-CG2 4.24Å; H327-T331 WeakPolarHBondContact O-CB 3.3Å; H327-T331 PolarHBondContact O-N 2.95Å; H327-T331 PolarHBondContact O-OG1 3.33Å; V329-T331 VanDerWaalsContact C-N 3.34Å; V329-T331 PolarHBondContact O-N 3.4Å; T331-V333 PolarHBondContact O-N 3.48Å; T331-G334 CarbonylContact O-C 3.57Å; T331-G334 WeakPolarHBondContact O-CA 3.22Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; T331-M335 HydrophobicContact CG2-SD 4.2Å; T331-M335 VanDerWaalsContact O-CG 3.32Å; T331-M335 WeakPolarHBondContact O-CG 3.39Å; T331-M335 PolarHBondContact O-N 3.08Å
332S98.3Very high96Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-58.4-46.8178.9175.10000112.3L168 A179 P181 G191 V328 V329 G334 M335 C336L168-S332 VanDerWaalsContact CD1-OG 3.27Å; L168-S332 WeakPolarHBondContact CD1-OG 3.44Å; A179-S332 PolarHBondContact O-OG 3.13Å; P181-S332 WeakPolarHBondContact CD-OG 3.47Å; G191-S332 WeakPolarHBondContact O-CA 3.28Å; G191-S332 VanDerWaalsContact O-CB 3.27Å; G191-S332 WeakPolarHBondContact O-CB 3.24Å; G191-S332 PolarHBondContact O-OG 3.3Å; V328-S332 VanDerWaalsContact O-CB 3.3Å; V328-S332 WeakPolarHBondContact O-CB 3.34Å; V328-S332 PolarHBondContact O-N 3.39Å; V328-S332 VanDerWaalsContact O-N 3.08Å; V329-S332 WeakPolarHBondContact O-CB 3.39Å; V329-S332 PolarHBondContact O-N 2.83Å; S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 2.83Å; S332-M335 PolarHBondContact O-N 2.88Å; S332-C336 PolarHBondContact O-SG 3.49Å
333V97.8Very high96.5Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-66.6-35.9175.5-179.20000111.5L168 V329 T331 M335 C336 R341 L344 Y345L168-V333 HydrophobicContact CD1-CG2 4.27Å; L168-V333 HydrophobicContact CD2-CG2 3.93Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.42Å; T331-V333 PolarHBondContact O-N 3.48Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 3.08Å; V333-C336 WeakPolarHBondContact O-CB 3.32Å; V333-C336 PolarHBondContact O-N 2.92Å; V333-C336 VanDerWaalsContact O-N 3.13Å; V333-R341 HydrophobicContact CG1-CB 3.68Å; V333-R341 HydrophobicContact CG1-CG 3.68Å; V333-R341 PolarHBondContact O-NE 3.49Å; V333-L344 HydrophobicContact CG1-CB 4.47Å; V333-L344 HydrophobicContact CG1-CD1 4.37Å; V333-L344 HydrophobicContact CG2-CB 4.11Å; V333-L344 HydrophobicContact CG2-CD1 4.36Å; V333-Y345 HydrophobicContact CB-CE2 4.13Å; V333-Y345 HydrophobicContact CG1-CD2 3.82Å; V333-Y345 HydrophobicContact CG1-CE2 3.39Å; V333-Y345 HydrophobicContact CG2-CE1 4.42Å; V333-Y345 HydrophobicContact CG2-CE2 4.49Å
334G97.1Very high96.8Very high38 Ų3841.5 Ų41.539%0.39223%0.234SC..Hα-helixtrans-64.8-25.2176.300000114.5T330 T331 S332 C336 R341T330-G334 PolarHBondContact O-N 2.94Å; T331-G334 CarbonylContact O-C 3.57Å; T331-G334 WeakPolarHBondContact O-CA 3.22Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 2.83Å; G334-C336 VanDerWaalsContact C-N 3.33Å; G334-R341 PolarHBondContact O-NH2 3.11Å
335M97.8Very high97Very high98 Ų9842.1 Ų42.148%0.48324%0.236SC..THydrogen-bonded Turntrans-83.3-8.6174.8-65.9173.285.600113.3Q190 V193 T331 S332 V333Q190-M335 WeakPolarHBondContact O-CE 3.42Å; V193-M335 HydrophobicContact CG2-SD 3.67Å; T331-M335 HydrophobicContact CG2-SD 4.2Å; T331-M335 VanDerWaalsContact O-CG 3.32Å; T331-M335 WeakPolarHBondContact O-CG 3.39Å; T331-M335 PolarHBondContact O-N 3.08Å; S332-M335 PolarHBondContact O-N 2.88Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 3.08Å
336C97.6Very high97Very high2 Ų243.1 Ų43.11%0.01425%0.247CC..SBendtrans-92.5157.8178-64.90000111.8S332 V333 G334 I340 R341 L344S332-C336 PolarHBondContact O-SG 3.49Å; V333-C336 WeakPolarHBondContact O-CB 3.32Å; V333-C336 PolarHBondContact O-N 2.92Å; V333-C336 VanDerWaalsContact O-N 3.13Å; G334-C336 VanDerWaalsContact C-N 3.33Å; C336-I340 HydrophobicContact CB-CD1 3.83Å; C336-I340 HydrophobicContact CB-CG1 4.12Å; C336-R341 VanDerWaalsContact O-CZ 3.24Å; C336-R341 PolarHBondContact O-NE 2.72Å; C336-R341 PolarHBondContact O-NH2 2.93Å; C336-L344 HydrophobicContact CB-CD1 3.81Å
337D96.3Very high97Very high112 Ų11243.3 Ų43.360%0.59925%0.249SC*.  trans-62145.1176.4-66.3-36.3000111.8D339 I340 R341D337-D339 PolarHBondContact O-N 3.47Å; D337-D339 VanDerWaalsContact O-N 3.15Å; D337-I340 HydrophobicContact CB-CG1 4.4Å; D337-I340 WeakPolarHBondContact O-CG1 3.2Å; D337-I340 PolarHBondContact O-N 3.06Å; D337-R341 WeakPolarHBondContact O-CG 3.5Å; D337-R341 PolarHBondContact O-N 3.32Å
338I95.3Very high97.1Very high116 Ų11639.3 Ų39.360%0.59523%0.23SC*.THydrogen-bonded Turntrans-57.9-33.3-171.9-167.5165.7000113.3I340 R341 P342I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 3.13Å; I338-R341 PolarHBondContact O-N 3.47Å; I338-P342 WeakPolarHBondContact O-CD 3.21Å
339D95.8Very high97.1Very high145 Ų14539.3 Ų39.378%0.77523%0.23SC*.THydrogen-bonded Turntrans-69.7-28.1-175.2-63.6-28.2000113.2D337D337-D339 PolarHBondContact O-N 3.47Å; D337-D339 VanDerWaalsContact O-N 3.15Å
340I96.1Very high97.1Very high26 Ų2639.5 Ų39.513%0.13323%0.231CC..THydrogen-bonded Turntrans-94.4-17.7-17961.5164000113.1L188 C336 D337 I338 P342 G343 L344L188-I340 HydrophobicContact CD1-CD1 3.17Å; C336-I340 HydrophobicContact CB-CD1 3.83Å; C336-I340 HydrophobicContact CB-CG1 4.12Å; D337-I340 HydrophobicContact CB-CG1 4.4Å; D337-I340 WeakPolarHBondContact O-CG1 3.2Å; D337-I340 PolarHBondContact O-N 3.06Å; I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 3.13Å; I340-P342 VanDerWaalsContact C-CD 3.44Å; I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 2.71Å; I340-L344 HydrophobicContact CD1-CD1 4.33Å; I340-L344 HydrophobicContact CG1-CD1 4.48Å; I340-L344 PolarHBondContact O-N 3.15Å
341R97.1Very high97Very high72 Ų7238.3 Ų38.327%0.27222%0.224SC..Hα-helixtrans-54.9-40.6-179.2-58.1-176.3-171.4-172.2-3.3113.9V333 G334 C336 D337 I338 G343 L344 Y345 M376V333-R341 HydrophobicContact CG1-CB 3.68Å; V333-R341 HydrophobicContact CG1-CG 3.68Å; V333-R341 PolarHBondContact O-NE 3.49Å; G334-R341 PolarHBondContact O-NH2 3.11Å; C336-R341 VanDerWaalsContact O-CZ 3.24Å; C336-R341 PolarHBondContact O-NE 2.72Å; C336-R341 PolarHBondContact O-NH2 2.93Å; D337-R341 WeakPolarHBondContact O-CG 3.5Å; D337-R341 PolarHBondContact O-N 3.32Å; I338-R341 PolarHBondContact O-N 3.47Å; R341-G343 VanDerWaalsContact C-N 3.27Å; R341-G343 PolarHBondContact O-N 3.46Å; R341-L344 PolarHBondContact O-N 3.45Å; R341-Y345 WeakPolarHBondContact O-CD2 3.48Å; R341-Y345 PolarHBondContact O-N 3.14Å; R341-M376 HydrophobicContact CB-CE 3.69Å; R341-M376 HydrophobicContact CB-SD 3.96Å
342P96.2Very high96.9Very high61 Ų6136.1 Ų36.140%0.39621%0.212SC..Hα-helixtrans-59.3-38.2174.9-2434.4000112.7I338 I340 G346 M376I338-P342 WeakPolarHBondContact O-CD 3.21Å; I340-P342 VanDerWaalsContact C-CD 3.44Å; P342-G346 PolarHBondContact O-N 2.89Å; P342-M376 HydrophobicContact CB-CG 4.48Å; P342-M376 HydrophobicContact CG-CE 4.18Å; P342-M376 HydrophobicContact CG-CG 4.27Å
343G95.6Very high96.7Very high34 Ų3437.9 Ų37.935%0.35123%0.23SC..Hα-helixtrans-67.4-40175.800000112.6I340 R341 G346 S347I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 2.71Å; R341-G343 VanDerWaalsContact C-N 3.27Å; R341-G343 PolarHBondContact O-N 3.46Å; G343-G346 PolarHBondContact O-N 3.34Å; G343-S347 PolarHBondContact O-N 3.14Å
344L97.6Very high96.6Very high0 Ų038.7 Ų38.70%024%0.235CC..Hα-helixtrans-65.3-49176.9-62.5178.8000112G167 L168 P181 V333 C336 I340 R341 G346 S347 V348G167-L344 WeakPolarHBondContact O-CD2 3.44Å; L168-L344 HydrophobicContact CB-CB 4.42Å; P181-L344 HydrophobicContact CB-CD1 3.92Å; P181-L344 HydrophobicContact CB-CD2 3.87Å; V333-L344 HydrophobicContact CG1-CB 4.47Å; V333-L344 HydrophobicContact CG1-CD1 4.37Å; V333-L344 HydrophobicContact CG2-CB 4.11Å; V333-L344 HydrophobicContact CG2-CD1 4.36Å; C336-L344 HydrophobicContact CB-CD1 3.81Å; I340-L344 HydrophobicContact CD1-CD1 4.33Å; I340-L344 HydrophobicContact CG1-CD1 4.48Å; I340-L344 PolarHBondContact O-N 3.15Å; R341-L344 PolarHBondContact O-N 3.45Å; L344-G346 VanDerWaalsContact C-N 3.29Å; L344-G346 PolarHBondContact O-N 2.99Å; L344-S347 CarbonylContact O-C 3.57Å; L344-S347 VanDerWaalsContact O-C 3.3Å; L344-S347 PolarHBondContact O-N 2.82Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å
345Y97.5Very high96.5Very high13 Ų1337 Ų375%0.05122%0.216CC..Hα-helixtrans-65.3-33.1174.8-80.2-62.8000112.6V333 R341 S347 T372 M376 R377 L378 K379V333-Y345 HydrophobicContact CB-CE2 4.13Å; V333-Y345 HydrophobicContact CG1-CD2 3.82Å; V333-Y345 HydrophobicContact CG1-CE2 3.39Å; V333-Y345 HydrophobicContact CG2-CE1 4.42Å; V333-Y345 HydrophobicContact CG2-CE2 4.49Å; R341-Y345 WeakPolarHBondContact O-CD2 3.48Å; R341-Y345 PolarHBondContact O-N 3.14Å; Y345-S347 PolarHBondContact O-N 3.4Å; Y345-T372 HydrophobicContact CD1-CG2 3.84Å; Y345-T372 WeakPolarHBondContact CD1-OG1 3.18Å; Y345-T372 HydrophobicContact CD2-CG2 4.12Å; Y345-T372 HydrophobicContact CE1-CG2 4.13Å; Y345-T372 WeakPolarHBondContact CE1-OG1 3.28Å; Y345-T372 HydrophobicContact CE2-CG2 4.37Å; Y345-T372 HydrophobicContact CG-CG2 3.84Å; Y345-M376 HydrophobicContact CD2-CB 4.35Å; Y345-M376 HydrophobicContact CD2-SD 3.48Å; Y345-M376 WeakPolarHBondContact CD2-SD 3.46Å; Y345-M376 HydrophobicContact CE2-SD 3.78Å; Y345-R377 CarbonylContact C-O 3.49Å; Y345-L378 HydrophobicContact CD1-CD1 4.09Å; Y345-L378 CarbonylContact O-C 3.54Å; Y345-L378 WeakPolarHBondContact O-CA 3.33Å; Y345-K379 PolarHBondContact O-N 2.8Å
346G96.6Very high96.4Very high24 Ų2435 Ų3525%0.24721%0.208CC..THydrogen-bonded Turntrans-69.8-4.2176.100000114.6P342 G343 L344 R377 K379P342-G346 PolarHBondContact O-N 2.89Å; G343-G346 PolarHBondContact O-N 3.34Å; L344-G346 VanDerWaalsContact C-N 3.29Å; L344-G346 PolarHBondContact O-N 2.99Å; G346-R377 WeakPolarHBondContact CA-O 3.13Å; G346-R377 PolarHBondContact N-O 2.92Å; G346-K379 WeakPolarHBondContact O-CB 3.28Å
347S96.9Very high96.3Very high4 Ų435.8 Ų35.83%0.02821%0.212CC..THydrogen-bonded Turntrans-155.868.6178.3-171.60000111.4G167 L168 G343 L344 Y345 I349 I381G167-S347 CarbonylContact C-O 3.53Å; G167-S347 VanDerWaalsContact CA-O 3.24Å; G167-S347 WeakPolarHBondContact CA-O 3.39Å; L168-S347 PolarHBondContact N-O 2.92Å; G343-S347 PolarHBondContact O-N 3.14Å; L344-S347 CarbonylContact O-C 3.57Å; L344-S347 VanDerWaalsContact O-C 3.3Å; L344-S347 PolarHBondContact O-N 2.82Å; Y345-S347 PolarHBondContact O-N 3.4Å; S347-I349 PolarHBondContact O-N 2.97Å; S347-I381 WeakPolarHBondContact OG-CD1 3.17Å
348V98.2Very high96.3Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-86.7103.2171.7-1770000108.8L168 L344 L368 L378 K379 L380 I381L168-V348 HydrophobicContact CB-CG2 4.38Å; L168-V348 HydrophobicContact CD2-CG1 4.36Å; L168-V348 HydrophobicContact CD2-CG2 4.45Å; L168-V348 CarbonylContact O-C 3.43Å; L168-V348 WeakPolarHBondContact O-CA 3.41Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å; V348-L368 HydrophobicContact CG1-CD1 4.33Å; V348-L378 HydrophobicContact CG2-CD1 3.96Å; V348-K379 PolarHBondContact N-O 3.37Å; V348-L380 HydrophobicContact CB-CD1 3.97Å; V348-L380 HydrophobicContact CG1-CD1 3.74Å; V348-L380 CarbonylContact O-C 3.3Å; V348-L380 WeakPolarHBondContact O-CA 3.39Å; V348-I381 PolarHBondContact O-N 3.45Å
349I97.8Very high96.3Very high1 Ų131.2 Ų31.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-91.8128.1-177.7-61.4163.6000109.2T158 N162 R164 L168 I169 L170 S347 I381T158-I349 HydrophobicContact CG2-CG2 3.9Å; N162-I349 HydrophobicContact CB-CD1 3.81Å; N162-I349 HydrophobicContact CB-CG1 4.38Å; N162-I349 WeakPolarHBondContact ND2-CG2 3.4Å; R164-I349 HydrophobicContact CB-CD1 4.16Å; R164-I349 HydrophobicContact CG-CD1 4.12Å; L168-I349 PolarHBondContact O-N 2.85Å; I169-I349 HydrophobicContact CD1-CB 3.76Å; I169-I349 HydrophobicContact CD1-CD1 3.61Å; I169-I349 HydrophobicContact CD1-CG1 4.19Å; I169-I349 HydrophobicContact CD1-CG2 4.3Å; L170-I349 PolarHBondContact N-O 2.55Å; S347-I349 PolarHBondContact O-N 2.97Å; I349-I381 CarbonylContact C-O 3.51Å; I349-I381 WeakPolarHBondContact CA-O 3.49Å; I349-I381 HydrophobicContact CG1-CB 4.11Å; I349-I381 HydrophobicContact CG1-CD1 4.15Å; I349-I381 HydrophobicContact CG1-CG2 4.42Å
350V97.6Very high96.4Very high3 Ų324.4 Ų24.42%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-103.9123.7-177.8-1760000110.1L170 T355 F360 T361 L364 L380 I381 A382L170-V350 HydrophobicContact CD2-CG2 4.48Å; L170-V350 WeakPolarHBondContact O-CA 3.4Å; V350-T355 HydrophobicContact CG1-CG2 3.47Å; V350-T355 VanDerWaalsContact CG1-CG2 3.47Å; V350-F360 HydrophobicContact CG1-CE1 4.29Å; V350-T361 HydrophobicContact CG1-CG2 4.3Å; V350-L364 HydrophobicContact CG2-CD2 3.88Å; V350-L380 HydrophobicContact CG2-CD1 3.43Å; V350-L380 VanDerWaalsContact CG2-CD1 3.43Å; V350-L380 HydrophobicContact CG2-CD2 4.21Å; V350-L380 HydrophobicContact CG2-CG 3.8Å; V350-I381 PolarHBondContact N-O 2.95Å; V350-A382 HydrophobicContact CB-CB 4.19Å
351A96.4Very high96.4Very high3 Ų324.4 Ų24.43%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-138.1168.817900000111.7T158 L170 D171 S172 T355T158-A351 HydrophobicContact CG2-CB 3.95Å; L170-A351 PolarHBondContact O-N 2.59Å; D171-A351 VanDerWaalsContact CA-O 3.31Å; D171-A351 WeakPolarHBondContact CA-O 3.41Å; S172-A351 PolarHBondContact N-O 3.5Å; A351-T355 WeakPolarHBondContact O-CG2 3.29Å
352G95Very high96.4Very high7 Ų725.5 Ų25.57%0.07216%0.162CC..SBendtrans98155.9175.400000114.2D171 S172 N354 T355 R389D171-G352 WeakPolarHBondContact OD1-CA 3.44Å; S172-G352 CarbonylContact O-C 3.59Å; S172-G352 VanDerWaalsContact O-C 3.26Å; S172-G352 WeakPolarHBondContact O-CA 3.49Å; G352-N354 PolarHBondContact O-N 3.29Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 2.84Å; G352-T355 PolarHBondContact O-OG1 3.35Å; G352-R389 PolarHBondContact N-O 2.78Å
353G93.8Very high96.4Very high37 Ų3722.7 Ų22.738%0.38114%0.144SC..G310 helixtrans-61.9-38.8-168.700000114.9S172 T355 L356S172-G353 PolarHBondContact O-N 3.32Å; S172-G353 VanDerWaalsContact O-N 3.17Å; G353-T355 PolarHBondContact O-N 3.43Å; G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.44Å; G353-L356 WeakPolarHBondContact O-CG 3.28Å; G353-L356 PolarHBondContact O-N 3.18Å; G353-L356 VanDerWaalsContact O-N 3.16Å
354N95.5Very high96.5Very high17 Ų1721 Ų219%0.09113%0.127CC..G310 helixtrans-72-15.6-178-53-37.7000112.6S172 G173 G199 I202 G352 L356 I357S172-N354 PolarHBondContact O-N 2.82Å; S172-N354 PolarHBondContact O-ND2 3.5Å; S172-N354 WeakPolarHBondContact OG-CB 3.35Å; S172-N354 PolarHBondContact OG-ND2 2.85Å; S172-N354 VanDerWaalsContact OG-ND2 3.11Å; G173-N354 PolarHBondContact O-ND2 3.49Å; G199-N354 WeakPolarHBondContact CA-OD1 3.45Å; G199-N354 PolarHBondContact N-ND2 2.89Å; I202-N354 HydrophobicContact CD1-CB 4.35Å; G352-N354 PolarHBondContact O-N 3.29Å; N354-L356 PolarHBondContact O-N 2.99Å; N354-I357 HydrophobicContact CB-CD1 4.15Å; N354-I357 WeakPolarHBondContact O-CB 3.41Å; N354-I357 WeakPolarHBondContact O-CD1 3.22Å; N354-I357 VanDerWaalsContact O-CG1 3.25Å; N354-I357 WeakPolarHBondContact O-CG1 3.16Å; N354-I357 PolarHBondContact O-N 2.92Å; N354-I357 VanDerWaalsContact O-N 3.15Å
355T96.3Very high96.5Very high1 Ų124.2 Ų24.21%0.00614%0.144CC..G310 helixtrans-72.8-7.4176.373.70000112.5V350 A351 G352 G353 F360V350-T355 HydrophobicContact CG1-CG2 3.47Å; V350-T355 VanDerWaalsContact CG1-CG2 3.47Å; A351-T355 WeakPolarHBondContact O-CG2 3.29Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 2.84Å; G352-T355 PolarHBondContact O-OG1 3.35Å; G353-T355 PolarHBondContact O-N 3.43Å; T355-F360 HydrophobicContact CG2-CD1 4.13Å; T355-F360 HydrophobicContact CG2-CE1 3.68Å; T355-F360 HydrophobicContact CG2-CZ 4.08Å
356L95.6Very high96.4Very high57 Ų5727.2 Ų27.230%0.29816%0.155SC..G310 helixtrans-85.1-9.5172.5-58.9168.4000112.9G353 N354 Q358 T386 R389G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.44Å; G353-L356 WeakPolarHBondContact O-CG 3.28Å; G353-L356 PolarHBondContact O-N 3.18Å; G353-L356 VanDerWaalsContact O-N 3.16Å; N354-L356 PolarHBondContact O-N 2.99Å; L356-Q358 PolarHBondContact O-N 3.25Å; L356-T386 HydrophobicContact CD1-CG2 3.72Å; L356-T386 HydrophobicContact CD2-CG2 4.06Å; L356-R389 HydrophobicContact CD2-CB 4.15Å
357I96.1Very high96.4Very high19 Ų1926.9 Ų26.910%0.09715%0.147CC..SBendtrans-59135.1171.9-61.9168.9000107.9I202 L267 V269 P305 L308 N354 S359 F360I202-I357 HydrophobicContact CD1-CD1 3.68Å; L267-I357 HydrophobicContact CB-CG2 4.22Å; V269-I357 HydrophobicContact CG2-CB 4.44Å; V269-I357 HydrophobicContact CG2-CG2 3.86Å; P305-I357 HydrophobicContact CB-CD1 4.47Å; P305-I357 HydrophobicContact CB-CG2 4.36Å; L308-I357 HydrophobicContact CD1-CD1 4.34Å; N354-I357 HydrophobicContact CB-CD1 4.15Å; N354-I357 WeakPolarHBondContact O-CB 3.41Å; N354-I357 WeakPolarHBondContact O-CD1 3.22Å; N354-I357 VanDerWaalsContact O-CG1 3.25Å; N354-I357 WeakPolarHBondContact O-CG1 3.16Å; N354-I357 PolarHBondContact O-N 2.92Å; N354-I357 VanDerWaalsContact O-N 3.15Å; I357-S359 PolarHBondContact O-N 3.42Å; I357-F360 WeakPolarHBondContact O-CB 3.42Å; I357-F360 PolarHBondContact O-N 3.38Å; I357-F360 VanDerWaalsContact O-N 3.1Å
358Q95.7Very high96.5Very high111 Ų11126.7 Ų26.752%0.51915%0.146SC..BIsolated β-bridgetrans-53.7138.3-176.8-174.6179.97.700111.1Q268 V269 L356 F360Q268-Q358 HydrophobicContact CB-CB 4.18Å; Q268-Q358 HydrophobicContact CG-CB 4.03Å; Q268-Q358 HydrophobicContact CG-CG 4.03Å; V269-Q358 PolarHBondContact N-O 2.88Å; L356-Q358 PolarHBondContact O-N 3.25Å; Q358-F360 PolarHBondContact O-N 3.05Å; Q358-F360 VanDerWaalsContact O-N 3.13Å
359S95.7Very high96.4Very high21 Ų2129.8 Ų29.815%0.14717%0.167CC..THydrogen-bonded Turntrans635.8-178.5-61.30000116.3V269 D271 I357 T361 D362 R363V269-S359 VanDerWaalsContact O-CB 3.28Å; V269-S359 WeakPolarHBondContact O-CB 3.39Å; D271-S359 WeakPolarHBondContact OD1-CB 3.22Å; D271-S359 PolarHBondContact OD1-OG 2.76Å; I357-S359 PolarHBondContact O-N 3.42Å; S359-T361 PolarHBondContact O-N 3.45Å; S359-D362 PolarHBondContact O-N 3.37Å; S359-R363 WeakPolarHBondContact O-CB 3.31Å; S359-R363 PolarHBondContact O-N 2.87Å
360F97.2Very high96.2Very high1 Ų136.5 Ų36.50%0.00420%0.199CC..Hα-helixtrans-56.3-48.2179.3-178.1-81.1000112.4V269 L308 F309 V325 V350 T355 I357 Q358 L364V269-F360 HydrophobicContact CG2-CB 4.07Å; V269-F360 HydrophobicContact CG2-CD2 4.11Å; L308-F360 HydrophobicContact CD1-CD2 4.45Å; L308-F360 HydrophobicContact CD1-CE2 4.07Å; F309-F360 AromaticContact CE2-CD2 3.85Å; F309-F360 HydrophobicContact CE2-CD2 3.85Å; F309-F360 AromaticContact CE2-CE2 3.93Å; F309-F360 HydrophobicContact CE2-CE2 3.93Å; F309-F360 AromaticContact CZ-CD2 3.88Å; F309-F360 HydrophobicContact CZ-CD2 3.88Å; F309-F360 AromaticContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CG 4.24Å; F309-F360 HydrophobicContact CZ-CZ 4.23Å; V325-F360 HydrophobicContact CB-CZ 4.49Å; V325-F360 HydrophobicContact CG1-CE1 4.4Å; V325-F360 HydrophobicContact CG1-CZ 3.81Å; V325-F360 HydrophobicContact CG2-CE2 4.11Å; V325-F360 HydrophobicContact CG2-CZ 3.95Å; V350-F360 HydrophobicContact CG1-CE1 4.29Å; T355-F360 HydrophobicContact CG2-CD1 4.13Å; T355-F360 HydrophobicContact CG2-CE1 3.68Å; T355-F360 HydrophobicContact CG2-CZ 4.08Å; I357-F360 WeakPolarHBondContact O-CB 3.42Å; I357-F360 PolarHBondContact O-N 3.38Å; I357-F360 VanDerWaalsContact O-N 3.1Å; Q358-F360 PolarHBondContact O-N 3.05Å; Q358-F360 VanDerWaalsContact O-N 3.13Å; F360-L364 HydrophobicContact CE1-CD2 4.14Å; F360-L364 VanDerWaalsContact O-CB 3.27Å; F360-L364 WeakPolarHBondContact O-CB 3.05Å; F360-L364 PolarHBondContact O-N 3.3Å
361T96Very high96.1Very high27 Ų2739.7 Ų39.717%0.16621%0.213CC..Hα-helixtrans-68.8-35.1-178.646.50000112.4V350 S359 N365 L380 A382V350-T361 HydrophobicContact CG1-CG2 4.3Å; S359-T361 PolarHBondContact O-N 3.45Å; T361-N365 VanDerWaalsContact O-CB 3.24Å; T361-N365 WeakPolarHBondContact O-CB 3.46Å; T361-N365 PolarHBondContact O-N 2.86Å; T361-L380 WeakPolarHBondContact O-CD2 3.36Å; T361-A382 HydrophobicContact CG2-CB 3.62Å
362D96.3Very high96.1Very high95 Ų9540.2 Ų40.251%0.50822%0.215SC..Hα-helixtrans-69.4-47.1179.6-60.3-60000111.3S359 L364 N365 R366S359-D362 PolarHBondContact O-N 3.37Å; D362-L364 VanDerWaalsContact C-N 3.35Å; D362-L364 PolarHBondContact O-N 2.81Å; D362-N365 PolarHBondContact O-N 2.8Å; D362-R366 PolarHBondContact O-N 2.47Å
363R97.1Very high96.1Very high1 Ų142.2 Ų42.20%0.00423%0.227CC..Hα-helixtrans-56.6-49.4172.6171.959.4176.7-79.5-4.6111.1V269 S270 D271 S272 E306 F309 S359 N365 R366 E367V269-R363 HydrophobicContact CG1-CB 3.42Å; V269-R363 VanDerWaalsContact CG1-CB 3.42Å; V269-R363 HydrophobicContact CG1-CG 3.51Å; S270-R363 WeakPolarHBondContact O-CD 3.36Å; S270-R363 PolarHBondContact O-NH1 3.48Å; D271-R363 WeakPolarHBondContact O-CD 3.27Å; S272-R363 PolarHBondContact O-NH1 3.03Å; E306-R363 IonicContact OE1-CZ 2.93Å; E306-R363 IonicContact OE1-NH1 3.09Å; E306-R363 PolarHBondContact OE1-NH1 2.78Å; E306-R363 IonicContact OE1-NH2 3.03Å; E306-R363 PolarHBondContact OE1-NH2 2.8Å; E306-R363 IonicContact OE2-CZ 3.68Å; E306-R363 IonicContact OE2-NH1 3.81Å; E306-R363 PolarHBondContact OE2-NH1 3.27Å; E306-R363 IonicContact OE2-NH2 3.86Å; E306-R363 PolarHBondContact OE2-NH2 3.03Å; F309-R363 HydrophobicContact CD1-CG 3.61Å; F309-R363 HydrophobicContact CD2-CG 4.1Å; F309-R363 HydrophobicContact CE1-CB 4.21Å; F309-R363 HydrophobicContact CE1-CG 3.47Å; F309-R363 VanDerWaalsContact CE1-CG 3.47Å; F309-R363 HydrophobicContact CE2-CG 3.99Å; F309-R363 HydrophobicContact CG-CG 3.92Å; F309-R363 HydrophobicContact CZ-CB 4.1Å; F309-R363 HydrophobicContact CZ-CG 3.67Å; S359-R363 WeakPolarHBondContact O-CB 3.31Å; S359-R363 PolarHBondContact O-N 2.87Å; R363-N365 PolarHBondContact O-N 3.19Å; R363-R366 PolarHBondContact O-N 3.29Å; R363-E367 IonicContact CZ-OE1 3.79Å; R363-E367 IonicContact NE-OE1 2.69Å; R363-E367 PolarHBondContact NE-OE1 2.89Å; R363-E367 IonicContact NH2-OE1 2.81Å; R363-E367 PolarHBondContact NH2-OE1 2.77Å; R363-E367 PolarHBondContact O-N 2.91Å
364L97.6Very high96Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-60.3-46.3178.8179.463.7000111.9L170 F309 V325 V350 F360 D362 R366 E367 L368 L380L170-L364 HydrophobicContact CD2-CD1 4.18Å; L170-L364 HydrophobicContact CD2-CD2 3.26Å; L170-L364 HydrophobicContact CD2-CG 4.35Å; F309-L364 HydrophobicContact CE1-CB 4.06Å; F309-L364 HydrophobicContact CE1-CD1 4.36Å; F309-L364 HydrophobicContact CZ-CB 4.4Å; V325-L364 HydrophobicContact CG1-CD1 3.71Å; V325-L364 HydrophobicContact CG1-CD2 4.47Å; V350-L364 HydrophobicContact CG2-CD2 3.88Å; F360-L364 HydrophobicContact CE1-CD2 4.14Å; F360-L364 VanDerWaalsContact O-CB 3.27Å; F360-L364 WeakPolarHBondContact O-CB 3.05Å; F360-L364 PolarHBondContact O-N 3.3Å; D362-L364 VanDerWaalsContact C-N 3.35Å; D362-L364 PolarHBondContact O-N 2.81Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.89Å; L364-E367 PolarHBondContact O-N 2.95Å; L364-L368 HydrophobicContact CD1-CD1 3.72Å; L364-L368 HydrophobicContact CD1-CG 3.86Å; L364-L368 HydrophobicContact CD2-CD1 4.48Å; L364-L368 HydrophobicContact CG-CD1 3.84Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.09Å; L364-L380 HydrophobicContact CD2-CD1 3.89Å; L364-L380 HydrophobicContact CD2-CD2 4.24Å; L364-L380 HydrophobicContact CG-CD1 4.32Å; L364-L380 HydrophobicContact CG-CD2 4.41Å
365N97Very high95.9Very high66 Ų6651.6 Ų51.635%0.35329%0.285SS..Hα-helixtrans-59.8-42.8179.9-173.156.5000111.4T361 D362 R363 S369 L380T361-N365 VanDerWaalsContact O-CB 3.24Å; T361-N365 WeakPolarHBondContact O-CB 3.46Å; T361-N365 PolarHBondContact O-N 2.86Å; D362-N365 PolarHBondContact O-N 2.8Å; R363-N365 PolarHBondContact O-N 3.19Å; N365-S369 VanDerWaalsContact O-CB 3.28Å; N365-S369 WeakPolarHBondContact O-CB 3.3Å; N365-S369 PolarHBondContact O-N 3.06Å; N365-S369 PolarHBondContact O-OG 2.85Å; N365-L380 HydrophobicContact CB-CD2 3.79Å
366R96.6Very high95.8Very high77 Ų7753.1 Ų53.129%0.29129%0.292SS..Hα-helixtrans-67.5-46.9178.1-169-178.464.5-90.7-36.5112.3D271 S272 D362 R363 L364 L368 S369 Q370D271-R366 PolarHBondContact O-NH1 3.37Å; D271-R366 PolarHBondContact O-NH2 3.32Å; S272-R366 VanDerWaalsContact CA-NH2 3.26Å; D362-R366 PolarHBondContact O-N 2.47Å; R363-R366 PolarHBondContact O-N 3.29Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.89Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.42Å; R366-S369 PolarHBondContact O-N 2.94Å; R366-Q370 WeakPolarHBondContact O-CG 3.11Å; R366-Q370 PolarHBondContact O-N 3.35Å; R366-Q370 VanDerWaalsContact O-N 3.13Å
367E97Very high95.8Very high16 Ų1660.2 Ų60.28%0.07532%0.315CS..Hα-helixtrans-62.2-42.5178.9-74.7-162.9-179.100112.1S326 R363 L364 S369 Q370 K371S326-E367 WeakPolarHBondContact CB-OE2 3.39Å; S326-E367 PolarHBondContact OG-OE2 3.32Å; R363-E367 IonicContact CZ-OE1 3.79Å; R363-E367 IonicContact NE-OE1 2.69Å; R363-E367 PolarHBondContact NE-OE1 2.89Å; R363-E367 IonicContact NH2-OE1 2.81Å; R363-E367 PolarHBondContact NH2-OE1 2.77Å; R363-E367 PolarHBondContact O-N 2.91Å; L364-E367 PolarHBondContact O-N 2.95Å; E367-S369 VanDerWaalsContact C-N 3.34Å; E367-Q370 PolarHBondContact O-N 2.83Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 3.34Å
368L97.3Very high95.9Very high0 Ų060.8 Ų60.80%032%0.318CS..Hα-helixtrans-67.2-36.4176.2-69.3-179000111.6V329 T330 V348 L364 R366 Q370 K371 T372 L378 L380V329-L368 HydrophobicContact CB-CD2 3.85Å; V329-L368 HydrophobicContact CG1-CD1 3.96Å; V329-L368 HydrophobicContact CG1-CD2 3.47Å; V329-L368 VanDerWaalsContact CG1-CD2 3.47Å; V329-L368 HydrophobicContact CG1-CG 4.38Å; V329-L368 HydrophobicContact CG2-CD1 4.47Å; T330-L368 HydrophobicContact CG2-CD2 4.12Å; V348-L368 HydrophobicContact CG1-CD1 4.33Å; L364-L368 HydrophobicContact CD1-CD1 3.72Å; L364-L368 HydrophobicContact CD1-CG 3.86Å; L364-L368 HydrophobicContact CD2-CD1 4.48Å; L364-L368 HydrophobicContact CG-CD1 3.84Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.09Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.42Å; L368-Q370 PolarHBondContact O-N 3.3Å; L368-K371 PolarHBondContact O-N 2.95Å; L368-T372 VanDerWaalsContact O-CB 3.26Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.43Å; L368-T372 PolarHBondContact O-OG1 3.24Å; L368-L378 HydrophobicContact CB-CD1 4.06Å; L368-L378 HydrophobicContact CB-CD2 3.47Å; L368-L378 VanDerWaalsContact CB-CD2 3.47Å; L368-L378 HydrophobicContact CB-CG 4.44Å; L368-L378 HydrophobicContact CD1-CD1 4.3Å; L368-L380 HydrophobicContact CD1-CD1 4.24Å
369S96.1Very high96Very high65 Ų6559.9 Ų59.946%0.45531%0.313SS..Hα-helixtrans-61.9-33.2176.5-640000112N365 R366 E367N365-S369 VanDerWaalsContact O-CB 3.28Å; N365-S369 WeakPolarHBondContact O-CB 3.3Å; N365-S369 PolarHBondContact O-N 3.06Å; N365-S369 PolarHBondContact O-OG 2.85Å; R366-S369 PolarHBondContact O-N 2.94Å; E367-S369 VanDerWaalsContact C-N 3.34Å
370Q95.4Very high96Very high142 Ų14260.5 Ų60.566%0.66431%0.314SS*.Hα-helixtrans-77.4-33.3176-68171.5-8.400112.9R366 E367 L368R366-Q370 WeakPolarHBondContact O-CG 3.11Å; R366-Q370 PolarHBondContact O-N 3.35Å; R366-Q370 VanDerWaalsContact O-N 3.13Å; E367-Q370 PolarHBondContact O-N 2.83Å; L368-Q370 PolarHBondContact O-N 3.3Å
371K95.3Very high96Very high71 Ų7161.7 Ų61.731%0.30932%0.32SS..Hα-helixtrans-89.5-19.6-177.4-66.8178.9-174.3-175.80114S326 H327 T330 E367 L368S326-K371 PolarHBondContact OG-NZ 3.24Å; H327-K371 PolarHBondContact CE1-NZ 3.01Å; H327-K371 PolarHBondContact ND1-NZ 3.01Å; H327-K371 PolarHBondContact NE2-NZ 3.49Å; T330-K371 HydrophobicContact CG2-CB 3.75Å; T330-K371 HydrophobicContact CG2-CD 4.14Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 3.34Å; L368-K371 PolarHBondContact O-N 2.95Å
372T95.7Very high95.8Very high13 Ų1361.9 Ų61.98%0.0832%0.324CS..SBendtrans-73.2130.4179.6-59.20000109.5Y345 L368 M376 L378Y345-T372 HydrophobicContact CD1-CG2 3.84Å; Y345-T372 WeakPolarHBondContact CD1-OG1 3.18Å; Y345-T372 HydrophobicContact CD2-CG2 4.12Å; Y345-T372 HydrophobicContact CE1-CG2 4.13Å; Y345-T372 WeakPolarHBondContact CE1-OG1 3.28Å; Y345-T372 HydrophobicContact CE2-CG2 4.37Å; Y345-T372 HydrophobicContact CG-CG2 3.84Å; L368-T372 VanDerWaalsContact O-CB 3.26Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.43Å; L368-T372 PolarHBondContact O-OG1 3.24Å; T372-M376 HydrophobicContact CG2-CB 3.95Å; T372-L378 HydrophobicContact CG2-CB 4.29Å
373P94.8Very high95.5Very high50 Ų5059 Ų5933%0.32531%0.309SS..  trans-55.4140.2176.7-26.835.1000112.1S375 M376P373-S375 PolarHBondContact O-N 2.84Å; P373-M376 HydrophobicContact CG-SD 4.21Å; P373-M376 PolarHBondContact O-N 3.17Å
374P92.9Very high94.7Very high141 Ų14166.4 Ų66.492%0.91635%0.349SS*.THydrogen-bonded Turntrans-59.5-20.9-178.4-26.134.2000115.1M376P374-M376 VanDerWaalsContact C-N 3.26Å
375S92.8Very high94.2Very high110 Ų11069.4 Ų69.477%0.76937%0.367SS*.THydrogen-bonded Turntrans-75.8-11.7175.258.10000113.8P373P373-S375 PolarHBondContact O-N 2.84Å
376M94.4Very high93.8Very high32 Ų3270.2 Ų70.216%0.15837%0.374CS..SBendtrans-114.1145.9-177.6-62.2178.7-175.900110.2R341 P342 Y345 T372 P373 P374R341-M376 HydrophobicContact CB-CE 3.69Å; R341-M376 HydrophobicContact CB-SD 3.96Å; P342-M376 HydrophobicContact CB-CG 4.48Å; P342-M376 HydrophobicContact CG-CE 4.18Å; P342-M376 HydrophobicContact CG-CG 4.27Å; Y345-M376 HydrophobicContact CD2-CB 4.35Å; Y345-M376 HydrophobicContact CD2-SD 3.48Å; Y345-M376 WeakPolarHBondContact CD2-SD 3.46Å; Y345-M376 HydrophobicContact CE2-SD 3.78Å; T372-M376 HydrophobicContact CG2-CB 3.95Å; P373-M376 HydrophobicContact CG-SD 4.21Å; P373-M376 PolarHBondContact O-N 3.17Å; P374-M376 VanDerWaalsContact C-N 3.26Å
377R94.9Very high93.4Very high207 Ų20769.3 Ų69.378%0.78138%0.377SS*.  trans-99.7114.6177.3-177.2-179.9178.1-178.21.8109.9Y345 G346Y345-R377 CarbonylContact C-O 3.49Å; G346-R377 WeakPolarHBondContact CA-O 3.13Å; G346-R377 PolarHBondContact N-O 2.92Å
378L97.4Very high93.1Very high30 Ų3072.1 Ų72.116%0.15739%0.39CS..  trans-71.7134.5169-179.869.7000110.5Y345 V348 L368 T372Y345-L378 HydrophobicContact CD1-CD1 4.09Å; Y345-L378 CarbonylContact O-C 3.54Å; Y345-L378 WeakPolarHBondContact O-CA 3.33Å; V348-L378 HydrophobicContact CG2-CD1 3.96Å; L368-L378 HydrophobicContact CB-CD1 4.06Å; L368-L378 HydrophobicContact CB-CD2 3.47Å; L368-L378 VanDerWaalsContact CB-CD2 3.47Å; L368-L378 HydrophobicContact CB-CG 4.44Å; L368-L378 HydrophobicContact CD1-CD1 4.3Å; T372-L378 HydrophobicContact CG2-CB 4.29Å
379K97.4Very high92.7Very high93 Ų9374 Ų7440%0.40440%0.398SS..  trans-136.7107.8163.7-179.2-177.7179-178.60109Y345 G346 V348 I381Y345-K379 PolarHBondContact O-N 2.8Å; G346-K379 WeakPolarHBondContact O-CB 3.28Å; V348-K379 PolarHBondContact N-O 3.37Å; K379-I381 HydrophobicContact CD-CG1 4.44Å; K379-I381 HydrophobicContact CG-CG1 4.22Å
380L97Very high92.5Very high33 Ų3374.4 Ų74.417%0.17339%0.389CS..EExtended strand (participates in β ladder)trans-78.9132.2169.7-160.870.8000109.4V348 V350 T361 L364 N365 L368V348-L380 HydrophobicContact CB-CD1 3.97Å; V348-L380 HydrophobicContact CG1-CD1 3.74Å; V348-L380 CarbonylContact O-C 3.3Å; V348-L380 WeakPolarHBondContact O-CA 3.39Å; V350-L380 HydrophobicContact CG2-CD1 3.43Å; V350-L380 VanDerWaalsContact CG2-CD1 3.43Å; V350-L380 HydrophobicContact CG2-CD2 4.21Å; V350-L380 HydrophobicContact CG2-CG 3.8Å; T361-L380 WeakPolarHBondContact O-CD2 3.36Å; L364-L380 HydrophobicContact CD2-CD1 3.89Å; L364-L380 HydrophobicContact CD2-CD2 4.24Å; L364-L380 HydrophobicContact CG-CD1 4.32Å; L364-L380 HydrophobicContact CG-CD2 4.41Å; N365-L380 HydrophobicContact CB-CD2 3.79Å; L368-L380 HydrophobicContact CD1-CD1 4.24Å
381I96.2Very high92.4Very high26 Ų2668.6 Ų68.613%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-119.1106.5178.1-56.6175.8000106.8S347 V348 I349 V350 K379S347-I381 WeakPolarHBondContact OG-CD1 3.17Å; V348-I381 PolarHBondContact O-N 3.45Å; I349-I381 CarbonylContact C-O 3.51Å; I349-I381 WeakPolarHBondContact CA-O 3.49Å; I349-I381 HydrophobicContact CG1-CB 4.11Å; I349-I381 HydrophobicContact CG1-CD1 4.15Å; I349-I381 HydrophobicContact CG1-CG2 4.42Å; V350-I381 PolarHBondContact N-O 2.95Å; K379-I381 HydrophobicContact CD-CG1 4.44Å; K379-I381 HydrophobicContact CG-CG1 4.22Å
382A93.4Very high92.3Very high31 Ų3165.4 Ų65.426%0.25635%0.348SS..EExtended strand (participates in β ladder)trans-126.5122.1173.700000108V350 T361V350-A382 HydrophobicContact CB-CB 4.19Å; T361-A382 HydrophobicContact CG2-CB 3.62Å
383N88.4Confident92.4Very high36 Ų3665.4 Ų65.419%0.19335%0.349CS..  trans-69143.1178.8-68.9-30.7000110.5N162 T385 E388 R389N162-N383 PolarHBondContact OD1-ND2 3.36Å; N162-N383 VanDerWaalsContact OD1-ND2 3.15Å; N162-N383 PolarHBondContact OD1-OD1 3.38Å; N383-T385 VanDerWaalsContact C-N 3.31Å; N383-T385 PolarHBondContact O-N 3.09Å; N383-E388 HydrophobicContact CB-CB 3.59Å; N383-E388 HydrophobicContact CB-CG 4.46Å; N383-R389 HydrophobicContact CB-CG 4.22Å; N383-R389 VanDerWaalsContact O-CD 3.28Å; N383-R389 WeakPolarHBondContact O-CD 3.48Å; N383-R389 WeakPolarHBondContact O-CG 3.47Å; N383-R389 PolarHBondContact O-NE 3.11Å; N383-R389 VanDerWaalsContact O-NE 3.07Å
384N81.2Confident92.5Very high156 Ų15663 Ų6383%0.83433%0.334SS*.SBendtrans-74.3-25.7-173.4-67.9-23.6000112
385T86.8Confident92.7Very high63 Ų6357.5 Ų57.539%0.38730%0.296SS..SBendtrans-88.6144.2-178.576.50000111.6N383 V387 E388 R389N383-T385 VanDerWaalsContact C-N 3.31Å; N383-T385 PolarHBondContact O-N 3.09Å; T385-V387 PolarHBondContact O-N 3.39Å; T385-E388 WeakPolarHBondContact CB-OE2 3.33Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.35Å; T385-E388 WeakPolarHBondContact OG1-CB 3.44Å; T385-E388 WeakPolarHBondContact OG1-CG 3.33Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 VanDerWaalsContact OG1-N 3.14Å; T385-E388 PolarHBondContact OG1-OE2 3.19Å; T385-R389 PolarHBondContact O-N 3.12Å
386T88.3Confident92.8Very high82 Ų8252.2 Ų52.250%0.50326%0.259SS..Hα-helixtrans-60.8-37.5173.7-57.50000111.6L356 R390L356-T386 HydrophobicContact CD1-CG2 3.72Å; L356-T386 HydrophobicContact CD2-CG2 4.06Å; T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 PolarHBondContact O-N 3.1Å
387V88.8Confident92.9Very high58 Ų5850.7 Ų50.735%0.35225%0.252SS..Hα-helixtrans-62-51.6-179.6177.30000110.5C32 T385 R389 R390 F391C32-V387 VanDerWaalsContact SG-CG1 3.59Å; T385-V387 PolarHBondContact O-N 3.39Å; V387-R389 PolarHBondContact O-N 3.36Å; V387-R390 PolarHBondContact O-N 3.18Å; V387-F391 HydrophobicContact CB-CD2 4.38Å; V387-F391 HydrophobicContact CG1-CD2 3.49Å; V387-F391 VanDerWaalsContact CG1-CD2 3.49Å; V387-F391 HydrophobicContact CG1-CE2 3.91Å; V387-F391 HydrophobicContact CG1-CG 4.49Å; V387-F391 VanDerWaalsContact O-CB 3.28Å; V387-F391 WeakPolarHBondContact O-CB 3.21Å; V387-F391 WeakPolarHBondContact O-CG 3.46Å; V387-F391 PolarHBondContact O-N 3.16Å
388E89.8Confident93Very high75 Ų7541 Ų4135%0.3522%0.215SC..Hα-helixtrans-65.6-39.4-177.5-70.2164.3135.800112.7N383 T385 S392 I395N383-E388 HydrophobicContact CB-CB 3.59Å; N383-E388 HydrophobicContact CB-CG 4.46Å; T385-E388 WeakPolarHBondContact CB-OE2 3.33Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.35Å; T385-E388 WeakPolarHBondContact OG1-CB 3.44Å; T385-E388 WeakPolarHBondContact OG1-CG 3.33Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 VanDerWaalsContact OG1-N 3.14Å; T385-E388 PolarHBondContact OG1-OE2 3.19Å; E388-S392 VanDerWaalsContact O-CA 3.24Å; E388-S392 WeakPolarHBondContact O-CA 3.25Å; E388-S392 WeakPolarHBondContact O-CB 3.26Å; E388-S392 PolarHBondContact O-N 3.38Å; E388-I395 HydrophobicContact CB-CD1 4.4Å; E388-I395 HydrophobicContact CG-CD1 4.19Å
389R90.3Very high92.9Very high41 Ų4142.7 Ų42.716%0.15522%0.224CC..Hα-helixtrans-68.9-38.4177-78-172.1-73.1-165.9-4.1112.5G352 L356 N383 T385 V387G352-R389 PolarHBondContact N-O 2.78Å; L356-R389 HydrophobicContact CD2-CB 4.15Å; N383-R389 HydrophobicContact CB-CG 4.22Å; N383-R389 VanDerWaalsContact O-CD 3.28Å; N383-R389 WeakPolarHBondContact O-CD 3.48Å; N383-R389 WeakPolarHBondContact O-CG 3.47Å; N383-R389 PolarHBondContact O-NE 3.11Å; N383-R389 VanDerWaalsContact O-NE 3.07Å; T385-R389 PolarHBondContact O-N 3.12Å; V387-R389 PolarHBondContact O-N 3.36Å
390R90.9Very high92.7Very high73 Ų7339.2 Ų39.228%0.27521%0.21SC..Hα-helixtrans-76.6-41.4-178.6-170.8177.9168-155.4-11111.5T22 R24 D36 T386 V387T22-R390 VanDerWaalsContact CG2-NH2 3.26Å; R24-R390 PolarHBondContact NH1-O 2.9Å; R24-R390 PolarHBondContact NH2-O 3.26Å; D36-R390 IonicContact OD1-CZ 3.81Å; D36-R390 IonicContact OD1-NH2 3.6Å; D36-R390 PolarHBondContact OD1-NH2 3.27Å; D36-R390 IonicContact OD2-CZ 2.66Å; D36-R390 IonicContact OD2-NH1 3.46Å; D36-R390 PolarHBondContact OD2-NH1 3.44Å; D36-R390 VanDerWaalsContact OD2-NH1 3.14Å; D36-R390 IonicContact OD2-NH2 3.85Å; D36-R390 PolarHBondContact OD2-NH2 3.45Å; T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 PolarHBondContact O-N 3.1Å; V387-R390 PolarHBondContact O-N 3.18Å
391F93.2Very high92.6Very high19 Ų1937.7 Ų37.78%0.08320%0.202CC..Hα-helixtrans-104.614.9-171.9-52.4-25.6000113.6R24 P33 D36 V387 S393 W394 I395R24-F391 HydrophobicContact CG-CD1 4.44Å; R24-F391 VanDerWaalsContact NE-CD1 3.34Å; P33-F391 HydrophobicContact CG-CD2 3.89Å; P33-F391 HydrophobicContact CG-CE2 4Å; P33-F391 HydrophobicContact CG-CG 4.27Å; P33-F391 HydrophobicContact CG-CZ 4.42Å; D36-F391 HydrophobicContact CB-CE1 4.5Å; D36-F391 HydrophobicContact CB-CZ 4.27Å; V387-F391 HydrophobicContact CB-CD2 4.38Å; V387-F391 HydrophobicContact CG1-CD2 3.49Å; V387-F391 VanDerWaalsContact CG1-CD2 3.49Å; V387-F391 HydrophobicContact CG1-CE2 3.91Å; V387-F391 HydrophobicContact CG1-CG 4.49Å; V387-F391 VanDerWaalsContact O-CB 3.28Å; V387-F391 WeakPolarHBondContact O-CB 3.21Å; V387-F391 WeakPolarHBondContact O-CG 3.46Å; V387-F391 PolarHBondContact O-N 3.16Å; F391-S393 VanDerWaalsContact C-N 3.31Å; F391-S393 PolarHBondContact O-N 2.63Å; F391-W394 WeakPolarHBondContact O-CA 3.49Å; F391-W394 WeakPolarHBondContact O-CB 3.48Å; F391-W394 PolarHBondContact O-N 2.94Å; F391-I395 HydrophobicContact CB-CD1 4.22Å; F391-I395 HydrophobicContact CB-CG1 4.31Å; F391-I395 WeakPolarHBondContact O-CG1 3.41Å; F391-I395 PolarHBondContact O-N 3.45Å
392S94.8Very high92.4Very high4 Ų439.1 Ų39.13%0.02821%0.214CC..Hα-helixtrans-53.2-43.6-171.5-164.50000114.1T158 A161 E388 I395 G396T158-S392 WeakPolarHBondContact CG2-OG 3.38Å; A161-S392 VanDerWaalsContact CB-O 3.28Å; A161-S392 WeakPolarHBondContact CB-O 3.36Å; E388-S392 VanDerWaalsContact O-CA 3.24Å; E388-S392 WeakPolarHBondContact O-CA 3.25Å; E388-S392 WeakPolarHBondContact O-CB 3.26Å; E388-S392 PolarHBondContact O-N 3.38Å; S392-I395 PolarHBondContact O-N 2.86Å; S392-G396 PolarHBondContact O-N 2.9Å
393S96.3Very high92.3Very high14 Ų1440.6 Ų40.610%0.09822%0.217CC..Hα-helixtrans-62-44.9175.239.60000112.3D17 L157 F391 G396 G397D17-S393 PolarHBondContact OD1-OG 3.22Å; D17-S393 PolarHBondContact OD2-OG 3.14Å; L157-S393 VanDerWaalsContact CB-O 3.28Å; L157-S393 WeakPolarHBondContact CB-O 3.39Å; L157-S393 WeakPolarHBondContact CD1-O 3.4Å; F391-S393 VanDerWaalsContact C-N 3.31Å; F391-S393 PolarHBondContact O-N 2.63Å; S393-G396 PolarHBondContact O-N 3.18Å; S393-G397 PolarHBondContact O-N 2.95Å
394W97.8Very high92.3Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-63.9-45.8176.7-17488.7000111.8V15 D17 R24 E30 C32 P33 F391 G396 G397 S398V15-W394 HydrophobicContact CB-CZ2 4.48Å; V15-W394 HydrophobicContact CG1-CG 4.31Å; V15-W394 PolarHBondContact O-NE1 3.29Å; D17-W394 HydrophobicContact CB-CB 3.78Å; D17-W394 HydrophobicContact CB-CG 4.24Å; D17-W394 PolarHBondContact OD2-N 3.26Å; R24-W394 HydrophobicContact CB-CG 4.29Å; E30-W394 HydrophobicContact CB-CH2 4.1Å; E30-W394 WeakPolarHBondContact O-CH2 2.98Å; E30-W394 WeakPolarHBondContact O-CZ3 3.47Å; C32-W394 WeakPolarHBondContact O-CH2 3.49Å; P33-W394 HydrophobicContact CB-CD2 3.74Å; P33-W394 HydrophobicContact CB-CE3 4.18Å; P33-W394 HydrophobicContact CB-CG 4.16Å; P33-W394 HydrophobicContact CB-CH2 4.47Å; P33-W394 HydrophobicContact CB-CZ2 4.06Å; P33-W394 HydrophobicContact CG-CD2 4.28Å; P33-W394 HydrophobicContact CG-CE3 4.39Å; P33-W394 VanDerWaalsContact N-CZ3 3.32Å; F391-W394 WeakPolarHBondContact O-CA 3.49Å; F391-W394 WeakPolarHBondContact O-CB 3.48Å; F391-W394 PolarHBondContact O-N 2.94Å; W394-G396 VanDerWaalsContact C-N 3.28Å; W394-G396 PolarHBondContact O-N 3.42Å; W394-G397 CarbonylContact O-C 3.59Å; W394-G397 WeakPolarHBondContact O-CA 3.46Å; W394-G397 PolarHBondContact O-N 2.84Å; W394-S398 PolarHBondContact O-N 3.06Å
395I95.9Very high92.6Very high24 Ų2439.6 Ų39.612%0.12323%0.228CC..Hα-helixtrans-58.6-44176.9-66.8167.6000110A161 E388 F391 S392 G397 S398 I399A161-I395 HydrophobicContact CB-CB 4.32Å; A161-I395 HydrophobicContact CB-CG2 4.09Å; E388-I395 HydrophobicContact CB-CD1 4.4Å; E388-I395 HydrophobicContact CG-CD1 4.19Å; F391-I395 HydrophobicContact CB-CD1 4.22Å; F391-I395 HydrophobicContact CB-CG1 4.31Å; F391-I395 WeakPolarHBondContact O-CG1 3.41Å; F391-I395 PolarHBondContact O-N 3.45Å; S392-I395 PolarHBondContact O-N 2.86Å; I395-G397 VanDerWaalsContact C-N 3.29Å; I395-G397 PolarHBondContact O-N 2.91Å; I395-S398 WeakPolarHBondContact O-CB 3.04Å; I395-S398 PolarHBondContact O-N 3.43Å; I395-S398 VanDerWaalsContact O-N 3.13Å; I395-I399 HydrophobicContact CG2-CD1 3.9Å; I395-I399 HydrophobicContact CG2-CG1 4.4Å; I395-I399 WeakPolarHBondContact O-CG1 3.35Å; I395-I399 PolarHBondContact O-N 3.41Å
396G96.1Very high92.7Very high0 Ų037 Ų370%021%0.212CC..Hα-helixtrans-57.9-41.6174.600000113.1L157 S392 S393 W394 L400L157-G396 VanDerWaalsContact O-CA 3.23Å; L157-G396 WeakPolarHBondContact O-CA 3.24Å; S392-G396 PolarHBondContact O-N 2.9Å; S393-G396 PolarHBondContact O-N 3.18Å; W394-G396 VanDerWaalsContact C-N 3.28Å; W394-G396 PolarHBondContact O-N 3.42Å; G396-L400 WeakPolarHBondContact O-CB 3.29Å; G396-L400 PolarHBondContact O-N 2.71Å
397G96.7Very high92.6Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-65.3-41.1173.800000112.8S393 W394 I395 L400 A401S393-G397 PolarHBondContact O-N 2.95Å; W394-G397 CarbonylContact O-C 3.59Å; W394-G397 WeakPolarHBondContact O-CA 3.46Å; W394-G397 PolarHBondContact O-N 2.84Å; I395-G397 VanDerWaalsContact C-N 3.29Å; I395-G397 PolarHBondContact O-N 2.91Å; G397-L400 PolarHBondContact O-N 3.17Å; G397-A401 VanDerWaalsContact O-CB 3.23Å; G397-A401 WeakPolarHBondContact O-CB 3.38Å; G397-A401 PolarHBondContact O-N 3.42Å
398S96.2Very high92.5Very high2 Ų240.4 Ų40.41%0.01422%0.218CC..Hα-helixtrans-61.7-46.7177.5-178.80000111.6G29 E30 W394 I395 S402G29-S398 PolarHBondContact N-O 3.03Å; G29-S398 PolarHBondContact N-OG 3.27Å; E30-S398 PolarHBondContact N-OG 2.61Å; E30-S398 PolarHBondContact O-OG 3.43Å; W394-S398 PolarHBondContact O-N 3.06Å; I395-S398 WeakPolarHBondContact O-CB 3.04Å; I395-S398 PolarHBondContact O-N 3.43Å; I395-S398 VanDerWaalsContact O-N 3.13Å; S398-S402 WeakPolarHBondContact O-CB 3.37Å; S398-S402 PolarHBondContact O-N 3.03Å; S398-S402 PolarHBondContact O-OG 3.35Å
399I94.6Very high92.7Very high66 Ų6640.9 Ų40.934%0.33822%0.221SC..Hα-helixtrans-66-50.4176.1-58.6168.8000109.4F160 I395 A401 S402 L403F160-I399 HydrophobicContact CD1-CB 4.19Å; F160-I399 HydrophobicContact CD1-CG2 4.09Å; F160-I399 HydrophobicContact CE1-CB 4.14Å; F160-I399 HydrophobicContact CE1-CG2 3.65Å; I395-I399 HydrophobicContact CG2-CD1 3.9Å; I395-I399 HydrophobicContact CG2-CG1 4.4Å; I395-I399 WeakPolarHBondContact O-CG1 3.35Å; I395-I399 PolarHBondContact O-N 3.41Å; I399-A401 PolarHBondContact O-N 3.38Å; I399-S402 PolarHBondContact O-N 3.44Å; I399-S402 PolarHBondContact O-OG 2.82Å; I399-L403 WeakPolarHBondContact O-CG 3.39Å; I399-L403 PolarHBondContact O-N 2.75Å
400L94.2Very high92.9Very high21 Ų2139.6 Ų39.611%0.1122%0.217CC..Hα-helixtrans-59.4-46.2-176.3-176.360.7000112.7L121 L157 F160 G396 G397 S402 L403 F406L121-L400 HydrophobicContact CD1-CB 4.45Å; L121-L400 HydrophobicContact CD1-CD2 4.08Å; L121-L400 HydrophobicContact CD1-CG 4.34Å; L157-L400 HydrophobicContact CD2-CD2 3.92Å; F160-L400 HydrophobicContact CD1-CB 3.93Å; F160-L400 HydrophobicContact CD1-CD1 4.44Å; F160-L400 HydrophobicContact CE1-CB 3.9Å; F160-L400 HydrophobicContact CE1-CD1 3.99Å; F160-L400 HydrophobicContact CE2-CD1 4.3Å; F160-L400 HydrophobicContact CZ-CD1 3.93Å; G396-L400 WeakPolarHBondContact O-CB 3.29Å; G396-L400 PolarHBondContact O-N 2.71Å; G397-L400 PolarHBondContact O-N 3.17Å; L400-S402 VanDerWaalsContact C-N 3.27Å; L400-S402 PolarHBondContact O-N 3.32Å; L400-L403 PolarHBondContact O-N 3.39Å; L400-F406 HydrophobicContact CD1-CD2 3.49Å; L400-F406 VanDerWaalsContact CD1-CD2 3.49Å; L400-F406 HydrophobicContact CD1-CE2 3.79Å; L400-F406 HydrophobicContact CD1-CG 4.16Å; L400-F406 HydrophobicContact CD2-CD2 4.31Å; L400-F406 HydrophobicContact CD2-CE2 3.74Å; L400-F406 HydrophobicContact CD2-CZ 4.08Å; L400-F406 HydrophobicContact CG-CD2 3.68Å; L400-F406 HydrophobicContact CG-CE1 4.46Å; L400-F406 HydrophobicContact CG-CE2 3.58Å; L400-F406 HydrophobicContact CG-CG 4.17Å; L400-F406 HydrophobicContact CG-CZ 3.99Å; L400-F406 VanDerWaalsContact O-CB 3.24Å; L400-F406 WeakPolarHBondContact O-CB 3.4Å; L400-F406 WeakPolarHBondContact O-CG 3.3Å
401A94.4Very high93.2Very high0 Ų036.1 Ų36.10%020%0.203CC..Hα-helixtrans-72.2-17.5-178.600000114A13 V15 A28 L121 G397 I399 W410A13-A401 HydrophobicContact CB-CB 4.22Å; V15-A401 HydrophobicContact CG2-CB 4.18Å; A28-A401 HydrophobicContact CB-CB 3.58Å; L121-A401 HydrophobicContact CB-CB 4.3Å; L121-A401 HydrophobicContact CD1-CB 4.12Å; G397-A401 VanDerWaalsContact O-CB 3.23Å; G397-A401 WeakPolarHBondContact O-CB 3.38Å; G397-A401 PolarHBondContact O-N 3.42Å; I399-A401 PolarHBondContact O-N 3.38Å; A401-W410 HydrophobicContact CB-CH2 4.11Å; A401-W410 HydrophobicContact CB-CZ2 4.01Å
402S92.7Very high93.3Very high56 Ų5637.1 Ų37.139%0.39221%0.213SC..Hα-helixtrans-90-6.8176.556.60000113.7S398 I399 L400S398-S402 WeakPolarHBondContact O-CB 3.37Å; S398-S402 PolarHBondContact O-N 3.03Å; S398-S402 PolarHBondContact O-OG 3.35Å; I399-S402 PolarHBondContact O-N 3.44Å; I399-S402 PolarHBondContact O-OG 2.82Å; L400-S402 VanDerWaalsContact C-N 3.27Å; L400-S402 PolarHBondContact O-N 3.32Å
403L91.3Very high93.4Very high62 Ų6240.2 Ų40.233%0.32523%0.226SC..  trans-77.5128178-67.7172.9000111.9F160 I399 L400 T405 F406F160-L403 HydrophobicContact CE1-CD1 3.7Å; F160-L403 HydrophobicContact CZ-CD1 3.38Å; I399-L403 WeakPolarHBondContact O-CG 3.39Å; I399-L403 PolarHBondContact O-N 2.75Å; L400-L403 PolarHBondContact O-N 3.39Å; L403-T405 PolarHBondContact O-N 3.12Å; L403-F406 HydrophobicContact CB-CB 4.18Å; L403-F406 VanDerWaalsContact O-CB 3.29Å; L403-F406 WeakPolarHBondContact O-CB 3.45Å; L403-F406 PolarHBondContact O-N 3.05Å
404G87.2Confident93.4Very high51 Ų5145.3 Ų45.353%0.52625%0.248SC..G310 helixtrans-58.4-29.9174.200000113.8F406 Q407G404-F406 VanDerWaalsContact C-N 3.28Å; G404-F406 PolarHBondContact O-N 2.78Å; G404-Q407 WeakPolarHBondContact O-CB 3.2Å; G404-Q407 VanDerWaalsContact O-CG 3.29Å; G404-Q407 WeakPolarHBondContact O-CG 3.29Å; G404-Q407 PolarHBondContact O-N 3.45Å
405T87.5Confident93.3Very high120 Ų12047.9 Ų47.974%0.73626%0.26SS*.G310 helixtrans-71.3-21.7175.351.30000113.4L403 Q407L403-T405 PolarHBondContact O-N 3.12Å; T405-Q407 PolarHBondContact O-N 2.85Å
406F89.7Confident93.4Very high10 Ų1047.6 Ų47.64%0.04426%0.258CS..G310 helixtrans-75.7-14.3179.1-170.7-108.4000112.7L121 F150 L400 L403 G404 Q408 M409 W410L121-F406 HydrophobicContact CD1-CE1 4.08Å; L121-F406 HydrophobicContact CD1-CZ 4.02Å; F150-F406 HydrophobicContact CB-CE1 4.32Å; F150-F406 HydrophobicContact CB-CZ 4.02Å; F150-F406 HydrophobicContact CD1-CE2 4.26Å; F150-F406 AromaticContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD2-CE2 4.43Å; F150-F406 AromaticContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CE1-CE2 4.12Å; F150-F406 AromaticContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE2-CE2 4.32Å; F150-F406 HydrophobicContact CE2-CZ 4.2Å; F150-F406 HydrophobicContact CG-CE1 4.31Å; F150-F406 HydrophobicContact CG-CE2 4.4Å; F150-F406 AromaticContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CZ-CE2 4.16Å; F150-F406 HydrophobicContact CZ-CZ 4.2Å; L400-F406 HydrophobicContact CD1-CD2 3.49Å; L400-F406 VanDerWaalsContact CD1-CD2 3.49Å; L400-F406 HydrophobicContact CD1-CE2 3.79Å; L400-F406 HydrophobicContact CD1-CG 4.16Å; L400-F406 HydrophobicContact CD2-CD2 4.31Å; L400-F406 HydrophobicContact CD2-CE2 3.74Å; L400-F406 HydrophobicContact CD2-CZ 4.08Å; L400-F406 HydrophobicContact CG-CD2 3.68Å; L400-F406 HydrophobicContact CG-CE1 4.46Å; L400-F406 HydrophobicContact CG-CE2 3.58Å; L400-F406 HydrophobicContact CG-CG 4.17Å; L400-F406 HydrophobicContact CG-CZ 3.99Å; L400-F406 VanDerWaalsContact O-CB 3.24Å; L400-F406 WeakPolarHBondContact O-CB 3.4Å; L400-F406 WeakPolarHBondContact O-CG 3.3Å; L403-F406 HydrophobicContact CB-CB 4.18Å; L403-F406 VanDerWaalsContact O-CB 3.29Å; L403-F406 WeakPolarHBondContact O-CB 3.45Å; L403-F406 PolarHBondContact O-N 3.05Å; G404-F406 VanDerWaalsContact C-N 3.28Å; G404-F406 PolarHBondContact O-N 2.78Å; F406-Q408 PolarHBondContact O-N 2.87Å; F406-M409 HydrophobicContact CD2-CB 3.8Å; F406-M409 HydrophobicContact CD2-CG 3.92Å; F406-M409 HydrophobicContact CE2-CB 3.7Å; F406-M409 HydrophobicContact CE2-CG 4.14Å; F406-M409 HydrophobicContact CG-CB 4.4Å; F406-M409 HydrophobicContact CZ-CB 4.23Å; F406-M409 WeakPolarHBondContact O-CB 3.21Å; F406-M409 PolarHBondContact O-N 3.41Å; F406-W410 HydrophobicContact CD1-CD2 4.36Å; F406-W410 AromaticContact CD1-CE2 3.68Å; F406-W410 AromaticContact CD1-CZ2 3.8Å; F406-W410 HydrophobicContact CD1-CZ2 3.8Å; F406-W410 AromaticContact CD1-NE1 3.76Å; F406-W410 AromaticContact CE1-CD2 3.95Å; F406-W410 HydrophobicContact CE1-CD2 3.95Å; F406-W410 AromaticContact CE1-CE2 3.59Å; F406-W410 HydrophobicContact CE1-CE3 4.24Å; F406-W410 AromaticContact CE1-CH2 3.91Å; F406-W410 HydrophobicContact CE1-CH2 3.91Å; F406-W410 AromaticContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ3 4.2Å
407Q85.7Confident93.5Very high40 Ų4053.9 Ų53.919%0.18729%0.287CS..G310 helixtrans-56.8-28.8-177.2-65.1-57-36.300113.9G404 T405 M409G404-Q407 WeakPolarHBondContact O-CB 3.2Å; G404-Q407 VanDerWaalsContact O-CG 3.29Å; G404-Q407 WeakPolarHBondContact O-CG 3.29Å; G404-Q407 PolarHBondContact O-N 3.45Å; T405-Q407 PolarHBondContact O-N 2.85Å; Q407-M409 VanDerWaalsContact C-N 3.32Å
408Q88.3Confident93.5Very high171 Ų17160.8 Ų60.880%0.79932%0.319SS*.G310 helixtrans-80.4-12.4179-60.2-177.7300113.7F406F406-Q408 PolarHBondContact O-N 2.87Å
409M92.2Very high93.3Very high84 Ų8462.6 Ų62.641%0.41434%0.338SS..THydrogen-bonded Turntrans-87.9-24.7-176.3-64.2-59.4-63.300112.9F150 F406 Q407F150-M409 HydrophobicContact CD2-CB 4.34Å; F150-M409 WeakPolarHBondContact CD2-O 3.42Å; F150-M409 HydrophobicContact CE2-CB 4Å; F150-M409 HydrophobicContact CE2-CE 4.27Å; F406-M409 HydrophobicContact CD2-CB 3.8Å; F406-M409 HydrophobicContact CD2-CG 3.92Å; F406-M409 HydrophobicContact CE2-CB 3.7Å; F406-M409 HydrophobicContact CE2-CG 4.14Å; F406-M409 HydrophobicContact CG-CB 4.4Å; F406-M409 HydrophobicContact CZ-CB 4.23Å; F406-M409 WeakPolarHBondContact O-CB 3.21Å; F406-M409 PolarHBondContact O-N 3.41Å; Q407-M409 VanDerWaalsContact C-N 3.32Å
410W95.4Very high93.4Very high15 Ų1560.9 Ų60.96%0.05734%0.337CS..SBendtrans-54.3142.2178.3-65.2114.1000111.7A13 P119 V120 L121 A148 F150 A401 F406 S412A13-W410 HydrophobicContact CB-CH2 4.14Å; A13-W410 HydrophobicContact CB-CZ2 4.05Å; P119-W410 HydrophobicContact CB-CH2 4.25Å; P119-W410 HydrophobicContact CB-CZ2 4.33Å; P119-W410 HydrophobicContact CB-CZ3 4.38Å; V120-W410 WeakPolarHBondContact O-CZ3 3.4Å; L121-W410 HydrophobicContact CB-CH2 3.79Å; L121-W410 HydrophobicContact CB-CZ3 4.06Å; A148-W410 HydrophobicContact CB-CB 3.94Å; A148-W410 HydrophobicContact CB-CD2 4.47Å; A148-W410 HydrophobicContact CB-CE3 4.45Å; A148-W410 HydrophobicContact CB-CG 4.27Å; F150-W410 HydrophobicContact CB-CD2 4.47Å; F150-W410 HydrophobicContact CB-CE3 3.51Å; F150-W410 HydrophobicContact CB-CZ3 3.55Å; A401-W410 HydrophobicContact CB-CH2 4.11Å; A401-W410 HydrophobicContact CB-CZ2 4.01Å; F406-W410 HydrophobicContact CD1-CD2 4.36Å; F406-W410 AromaticContact CD1-CE2 3.68Å; F406-W410 AromaticContact CD1-CZ2 3.8Å; F406-W410 HydrophobicContact CD1-CZ2 3.8Å; F406-W410 AromaticContact CD1-NE1 3.76Å; F406-W410 AromaticContact CE1-CD2 3.95Å; F406-W410 HydrophobicContact CE1-CD2 3.95Å; F406-W410 AromaticContact CE1-CE2 3.59Å; F406-W410 HydrophobicContact CE1-CE3 4.24Å; F406-W410 AromaticContact CE1-CH2 3.91Å; F406-W410 HydrophobicContact CE1-CH2 3.91Å; F406-W410 AromaticContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ3 4.2Å; W410-S412 PolarHBondContact O-N 3.35Å
411I96.8Very high93.5Very high0 Ų063.2 Ų63.20%035%0.346CS..EExtended strand (participates in β ladder)trans-81.2112.2161.7-57.1169.2000105.6F141 A148 F149 E415 C423 V424 K427F141-I411 HydrophobicContact CE2-CG2 4Å; F141-I411 HydrophobicContact CZ-CB 4.3Å; F141-I411 HydrophobicContact CZ-CG2 3.94Å; F141-I411 WeakPolarHBondContact CZ-O 3.35Å; A148-I411 CarbonylContact C-O 3.56Å; A148-I411 WeakPolarHBondContact CA-O 3.13Å; A148-I411 WeakPolarHBondContact CB-O 3.47Å; F149-I411 PolarHBondContact N-O 2.97Å; F149-I411 WeakPolarHBondContact O-CB 3.36Å; F149-I411 PolarHBondContact O-N 3.31Å; I411-E415 WeakPolarHBondContact CA-OE2 3.39Å; I411-E415 HydrophobicContact CG2-CB 4.45Å; I411-C423 HydrophobicContact CG2-CB 4.37Å; I411-C423 WeakPolarHBondContact CG2-SG 3.48Å; I411-V424 HydrophobicContact CD1-CB 4.18Å; I411-V424 HydrophobicContact CD1-CG2 4.31Å; I411-K427 HydrophobicContact CD1-CB 4.01Å; I411-K427 HydrophobicContact CG1-CB 3.65Å; I411-K427 HydrophobicContact CG1-CG 4.04Å
412S96.3Very high93.5Very high40 Ų4068.8 Ų68.828%0.2837%0.372SS..EExtended strand (participates in β ladder)trans-75.7156.7174.668.40000111.1W410 Q414 E415 Y416W410-S412 PolarHBondContact O-N 3.35Å; S412-Q414 PolarHBondContact O-N 3.32Å; S412-E415 PolarHBondContact N-OE2 3.15Å; S412-E415 PolarHBondContact O-N 3.06Å; S412-E415 VanDerWaalsContact O-N 3.09Å; S412-E415 WeakPolarHBondContact OG-CG 3.27Å; S412-E415 PolarHBondContact OG-N 3.33Å; S412-E415 VanDerWaalsContact OG-N 3.14Å; S412-Y416 PolarHBondContact O-N 3.13Å
413K96.3Very high93.6Very high69 Ų6966.3 Ų66.330%0.336%0.355SS..Hα-helixtrans-55.6-37.8172.8-172.7177.9179.3-167.20112.6F141 N145 P147 Y416 E417F141-K413 HydrophobicContact CD1-CB 4.24Å; F141-K413 HydrophobicContact CD1-CG 4.22Å; F141-K413 HydrophobicContact CE1-CB 4.07Å; N145-K413 WeakPolarHBondContact OD1-CE 3.26Å; N145-K413 PolarHBondContact OD1-NZ 2.89Å; P147-K413 WeakPolarHBondContact O-CB 3.47Å; P147-K413 PolarHBondContact O-N 3.13Å; K413-Y416 WeakPolarHBondContact O-CB 3.5Å; K413-Y416 PolarHBondContact O-N 3.41Å; K413-E417 WeakPolarHBondContact CE-OE1 3.47Å; K413-E417 IonicContact NZ-OE1 2.61Å; K413-E417 WeakPolarHBondContact O-CG 3.36Å; K413-E417 PolarHBondContact O-N 3.16Å
414Q96.4Very high93.9Very high120 Ų12063.4 Ų63.456%0.56134%0.339SS*.Hα-helixtrans-62.8-45.8175.3-177.3-177.8-10.600111.6S412 Y416 E417 E418S412-Q414 PolarHBondContact O-N 3.32Å; Q414-Y416 VanDerWaalsContact C-N 3.26Å; Q414-Y416 PolarHBondContact O-N 3.06Å; Q414-E417 PolarHBondContact O-N 3.48Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.04Å; Q414-E418 PolarHBondContact NE2-OE1 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.34Å; Q414-E418 PolarHBondContact O-N 3.38Å
415E96Very high94.3Very high54 Ų5464.1 Ų64.125%0.25233%0.329SS..Hα-helixtrans-62.6-34.6176.1-74.5176.2134.600112.1I411 S412 G419 K427I411-E415 WeakPolarHBondContact CA-OE2 3.39Å; I411-E415 HydrophobicContact CG2-CB 4.45Å; S412-E415 PolarHBondContact N-OE2 3.15Å; S412-E415 PolarHBondContact O-N 3.06Å; S412-E415 VanDerWaalsContact O-N 3.09Å; S412-E415 WeakPolarHBondContact OG-CG 3.27Å; S412-E415 PolarHBondContact OG-N 3.33Å; S412-E415 VanDerWaalsContact OG-N 3.14Å; E415-G419 PolarHBondContact O-N 3.02Å; E415-K427 VanDerWaalsContact OE1-CE 3.31Å; E415-K427 WeakPolarHBondContact OE1-CE 3Å; E415-K427 IonicContact OE1-NZ 3.48Å; E415-K427 PolarHBondContact OE1-NZ 2.88Å; E415-K427 IonicContact OE2-NZ 3.89Å; E415-K427 PolarHBondContact OE2-NZ 3.46Å
416Y97.8Very high94.5Very high19 Ų1966.9 Ų66.98%0.07533%0.326CS..Hα-helixtrans-65.6-45.5172.7174.7-96.2000111.9T137 F141 E142 S412 K413 Q414 E418 G420 K421T137-Y416 HydrophobicContact CG2-CD2 3.94Å; T137-Y416 HydrophobicContact CG2-CE2 3.96Å; F141-Y416 HydrophobicContact CB-CD1 3.63Å; F141-Y416 HydrophobicContact CB-CD2 4.21Å; F141-Y416 HydrophobicContact CB-CE1 3.65Å; F141-Y416 HydrophobicContact CB-CE2 4.19Å; F141-Y416 HydrophobicContact CB-CG 3.93Å; F141-Y416 HydrophobicContact CD1-CD1 4.42Å; F141-Y416 HydrophobicContact CD1-CG 4.28Å; F141-Y416 HydrophobicContact CD2-CD1 4.1Å; F141-Y416 AromaticContact CD2-CD2 3.34Å; F141-Y416 HydrophobicContact CD2-CD2 3.34Å; F141-Y416 AromaticContact CD2-CE2 3.88Å; F141-Y416 HydrophobicContact CD2-CE2 3.88Å; F141-Y416 AromaticContact CD2-CG 3.47Å; F141-Y416 HydrophobicContact CD2-CG 3.47Å; F141-Y416 VanDerWaalsContact CD2-CG 3.47Å; F141-Y416 AromaticContact CE2-CD2 3.87Å; F141-Y416 HydrophobicContact CE2-CD2 3.87Å; F141-Y416 AromaticContact CE2-CG 3.96Å; F141-Y416 HydrophobicContact CE2-CG 3.96Å; F141-Y416 AromaticContact CG-CD1 3.82Å; F141-Y416 HydrophobicContact CG-CD1 3.82Å; F141-Y416 AromaticContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CE1 4.3Å; F141-Y416 HydrophobicContact CG-CE2 4.38Å; F141-Y416 AromaticContact CG-CG 3.64Å; F141-Y416 HydrophobicContact CG-CG 3.64Å; E142-Y416 HydrophobicContact CG-CE1 4Å; E142-Y416 PolarHBondContact OE1-OH 3.17Å; S412-Y416 PolarHBondContact O-N 3.13Å; K413-Y416 WeakPolarHBondContact O-CB 3.5Å; K413-Y416 PolarHBondContact O-N 3.41Å; Q414-Y416 VanDerWaalsContact C-N 3.26Å; Q414-Y416 PolarHBondContact O-N 3.06Å; Y416-E418 VanDerWaalsContact C-N 3.28Å; Y416-E418 PolarHBondContact O-N 3.22Å; Y416-G420 WeakPolarHBondContact O-CA 3.39Å; Y416-G420 PolarHBondContact O-N 3.02Å; Y416-K421 HydrophobicContact CE2-CB 3.97Å
417E97.3Very high94.7Very high132 Ų13268.6 Ų68.662%0.61733%0.334SS*.Hα-helixtrans-62.7-35.2177.9-72.8170.9176.200112.1K413 Q414K413-E417 WeakPolarHBondContact CE-OE1 3.47Å; K413-E417 IonicContact NZ-OE1 2.61Å; K413-E417 WeakPolarHBondContact O-CG 3.36Å; K413-E417 PolarHBondContact O-N 3.16Å; Q414-E417 PolarHBondContact O-N 3.48Å
418E96.4Very high95.1Very high144 Ų14466.8 Ų66.867%0.67333%0.325SS*.Hα-helixtrans-79.8-41.1178.5-69.8174.5-16900113.3Q414 Y416Q414-E418 WeakPolarHBondContact CG-OE1 3.04Å; Q414-E418 PolarHBondContact NE2-OE1 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.34Å; Q414-E418 PolarHBondContact O-N 3.38Å; Y416-E418 VanDerWaalsContact C-N 3.28Å; Y416-E418 PolarHBondContact O-N 3.22Å
419G93.5Very high95Very high41 Ų4163 Ų6342%0.42332%0.315SS..Hα-helixtrans-102.6-10.9-172.700000115.5E415E415-G419 PolarHBondContact O-N 3.02Å
420G95.8Very high95.1Very high29 Ų2961.9 Ų61.930%0.29931%0.31SS..  trans62-173.8-168.900000113.3Y416 Q422 C423Y416-G420 WeakPolarHBondContact O-CA 3.39Å; Y416-G420 PolarHBondContact O-N 3.02Å; G420-Q422 PolarHBondContact O-N 3.18Å; G420-C423 PolarHBondContact O-N 3.06Å; G420-C423 VanDerWaalsContact O-N 3.15Å; G420-C423 PolarHBondContact O-SG 3.42Å
421K95.8Very high95.1Very high71 Ų7164.4 Ų64.431%0.30932%0.324SS..THydrogen-bonded Turntrans-56.5-19.7-179.564.1-167.7-179.5-175.90116.1E134 E138 Y416 C423 V424E134-K421 HydrophobicContact CB-CB 4.19Å; E134-K421 HydrophobicContact CB-CD 3.87Å; E134-K421 HydrophobicContact CB-CG 3.84Å; E134-K421 HydrophobicContact CG-CG 4.11Å; E138-K421 HydrophobicContact CB-CB 4.5Å; E138-K421 HydrophobicContact CB-CD 4.18Å; E138-K421 VanDerWaalsContact OE2-CD 3.24Å; E138-K421 WeakPolarHBondContact OE2-CD 3.36Å; E138-K421 IonicContact OE2-NZ 3.46Å; E138-K421 PolarHBondContact OE2-NZ 3.28Å; Y416-K421 HydrophobicContact CE2-CB 3.97Å; K421-C423 PolarHBondContact O-N 3.42Å; K421-V424 VanDerWaalsContact O-CG1 3.29Å; K421-V424 WeakPolarHBondContact O-CG1 3.31Å; K421-V424 PolarHBondContact O-N 2.67Å
422Q95.4Very high95Very high116 Ų11667.9 Ų67.954%0.54234%0.341SS..THydrogen-bonded Turntrans-67.1-16.6178.8-58.5-174.8400113.1G420 V424 E425G420-Q422 PolarHBondContact O-N 3.18Å; Q422-V424 PolarHBondContact O-N 3.43Å; Q422-V424 VanDerWaalsContact O-N 3.15Å; Q422-E425 PolarHBondContact O-N 3.22Å; Q422-E425 VanDerWaalsContact O-N 3.16Å
423C95Very high95Very high5 Ų569.6 Ų69.63%0.03435%0.345CS..Hα-helixtrans-56.2-28.5176.4620000113.1I411 G420 K421 E425 R426 K427I411-C423 HydrophobicContact CG2-CB 4.37Å; I411-C423 WeakPolarHBondContact CG2-SG 3.48Å; G420-C423 PolarHBondContact O-N 3.06Å; G420-C423 VanDerWaalsContact O-N 3.15Å; G420-C423 PolarHBondContact O-SG 3.42Å; K421-C423 PolarHBondContact O-N 3.42Å; C423-E425 VanDerWaalsContact C-N 3.3Å; C423-E425 PolarHBondContact O-N 3.15Å; C423-R426 PolarHBondContact O-N 2.89Å; C423-R426 VanDerWaalsContact O-N 3.15Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 PolarHBondContact O-N 2.85Å
424V96.5Very high94.9Very high0 Ų069.6 Ų69.60%035%0.348CS..Hα-helixtrans-61.1-35.9178.5750000112.7R133 E134 T137 L151 I411 K421 Q422 R426 C428R133-V424 HydrophobicContact CB-CG1 4.2Å; R133-V424 PolarHBondContact NH2-O 3.35Å; E134-V424 HydrophobicContact CG-CG1 4.33Å; T137-V424 HydrophobicContact CG2-CB 4.46Å; T137-V424 WeakPolarHBondContact OG1-CB 3.33Å; T137-V424 WeakPolarHBondContact OG1-CG2 3.44Å; L151-V424 HydrophobicContact CB-CG2 4.03Å; L151-V424 HydrophobicContact CD2-CG2 4.21Å; I411-V424 HydrophobicContact CD1-CB 4.18Å; I411-V424 HydrophobicContact CD1-CG2 4.31Å; K421-V424 VanDerWaalsContact O-CG1 3.29Å; K421-V424 WeakPolarHBondContact O-CG1 3.31Å; K421-V424 PolarHBondContact O-N 2.67Å; Q422-V424 PolarHBondContact O-N 3.43Å; Q422-V424 VanDerWaalsContact O-N 3.15Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.49Å; V424-C428 HydrophobicContact CG2-CB 4.02Å; V424-C428 WeakPolarHBondContact O-CA 3.15Å; V424-C428 VanDerWaalsContact O-CB 3.23Å; V424-C428 WeakPolarHBondContact O-CB 3.45Å; V424-C428 PolarHBondContact O-N 2.88Å
425E95.1Very high94.8Very high67 Ų6766.3 Ų66.331%0.31333%0.334SS..Hα-helixtrans-69.5-29.9178.9-62.4-59.1122.300112.2R130 R133 Q422 C423R130-E425 HydrophobicContact CG-CG 3.91Å; R133-E425 WeakPolarHBondContact CD-OE1 3.34Å; R133-E425 IonicContact CZ-OE1 3.58Å; R133-E425 IonicContact NE-OE1 2.9Å; R133-E425 PolarHBondContact NE-OE1 2.77Å; R133-E425 IonicContact NE-OE2 2.68Å; R133-E425 IonicContact NH2-OE1 3.49Å; Q422-E425 PolarHBondContact O-N 3.22Å; Q422-E425 VanDerWaalsContact O-N 3.16Å; C423-E425 VanDerWaalsContact C-N 3.3Å; C423-E425 PolarHBondContact O-N 3.15Å
426R92.2Very high94.7Very high177 Ų17767.1 Ų67.167%0.66834%0.34SS*.Hα-helixtrans-84.6-39.7-179.8-176.1-179.163.8-174.4-1.1112.3C423 V424C423-R426 PolarHBondContact O-N 2.89Å; C423-R426 VanDerWaalsContact O-N 3.15Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.49Å
427K93.6Very high94.5Very high47 Ų4770.8 Ų70.820%0.20436%0.36CS..Hα-helixtrans-92.7-25.9-172.3-76.4-86-168.3141.90113.5F150 I411 E415 C423 P429F150-K427 WeakPolarHBondContact CE2-O 3.34Å; I411-K427 HydrophobicContact CD1-CB 4.01Å; I411-K427 HydrophobicContact CG1-CB 3.65Å; I411-K427 HydrophobicContact CG1-CG 4.04Å; E415-K427 VanDerWaalsContact OE1-CE 3.31Å; E415-K427 WeakPolarHBondContact OE1-CE 3Å; E415-K427 IonicContact OE1-NZ 3.48Å; E415-K427 PolarHBondContact OE1-NZ 2.88Å; E415-K427 IonicContact OE2-NZ 3.89Å; E415-K427 PolarHBondContact OE2-NZ 3.46Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 PolarHBondContact O-N 2.85Å; K427-P429 VanDerWaalsContact O-CD 3.25Å; K427-P429 WeakPolarHBondContact O-CD 3.37Å
428C94.3Very high94.2Very high2 Ų265.8 Ų65.81%0.01434%0.339CS..  trans-119.863.8-175.9-60.60000111.3R133 F150 L151 V424R133-C428 PolarHBondContact NH2-O 2.96Å; F150-C428 WeakPolarHBondContact CD2-SG 3.32Å; F150-C428 VanDerWaalsContact CE2-SG 3.6Å; L151-C428 HydrophobicContact CB-CB 4.28Å; L151-C428 PolarHBondContact N-SG 2.8Å; L151-C428 VanDerWaalsContact N-SG 3.38Å; L151-C428 WeakPolarHBondContact O-CB 3.48Å; V424-C428 HydrophobicContact CG2-CB 4.02Å; V424-C428 WeakPolarHBondContact O-CA 3.15Å; V424-C428 VanDerWaalsContact O-CB 3.23Å; V424-C428 WeakPolarHBondContact O-CB 3.45Å; V424-C428 PolarHBondContact O-N 2.88Å
429P86.9Confident94Very high90 Ų9058.6 Ų58.658%0.58431%0.308SS*.  trans-62.70-166.524.7-35.1000116.8K153 Y186 K427K153-P429 PolarHBondContact NZ-O 2.8Å; K153-P429 PolarHBondContact NZ-OXT 2.91Å; Y186-P429 HydrophobicContact CD1-CG 4.18Å; Y186-P429 HydrophobicContact CE1-CB 4.43Å; Y186-P429 HydrophobicContact CE1-CG 3.72Å; K427-P429 VanDerWaalsContact O-CD 3.25Å; K427-P429 WeakPolarHBondContact O-CD 3.37Å

Retrieved 429 of 429 residues in 88.9 ms (Link to these results)