Z4YL44_MOUSE Loading...

AT-rich interactive domain-containing protein 4B

Acts as a transcriptional repressor. May function in the assembly and/or enzymatic activity of the Sin3A corepressor complex or in mediating interactions between the complex and other regulatory complexes. Plays a role in the regulation of epigenetic modifications at the PWS/AS imprinting center near the SNRPN promoter, where it might function as part of a complex with RB1 and ARID4A. Involved in spermatogenesis, together with ARID4A, where it functions as a transcriptional coactivator for AR (androgen receptor) and enhances expression of genes required for sperm maturation. Regulates expression of the tight junction protein CLDN3 in the testis, which is important for integrity of the blood-testis barrier. Plays a role in myeloid homeostasis where it regulates the histone methylation state of bone marrow cells and expression of various genes involved in hematopoiesis. May function as a leukemia suppressor.

AlphaFold DB , UniProt , Accession Z4YL44, Species MOUSE (Mus musculus, Mouse), Gene Arid4b, Length 473 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
1M32.3Very low59.2Low240 Ų240105.8 Ų105.8100%1.18257%0.567SS**  0160.30-83.2-177.1170.400108.6
2K29Very low61.9Low176 Ų176104.5 Ų104.577%0.76557%0.565SS**  trans50.882.3176.1-72.4-170.8177.2-176.90115L4K2-L4 VanDerWaalsContact C-N 3.35Å; K2-L4 HydrophobicContact CB-CG 4.27Å; K2-L4 HydrophobicContact CD-CD1 4.43Å; K2-L4 HydrophobicContact CD-CG 4.42Å; K2-L4 PolarHBondContact O-N 3.33Å
3A37Very low63.9Low108 Ų10899.5 Ų99.589%0.89355%0.553SS**  trans-68.3101.4144.300000106.6D5A3-D5 VanDerWaalsContact C-N 3.32Å; A3-D5 PolarHBondContact O-N 3.25Å; A3-D5 VanDerWaalsContact O-N 3.08Å
4L40.1Very low65.8Low144 Ų14494.6 Ų94.675%0.75453%0.527SS*.  trans-81.779.4-179.8-94163.7000109.7K2 E6K2-L4 VanDerWaalsContact C-N 3.35Å; K2-L4 HydrophobicContact CB-CG 4.27Å; K2-L4 HydrophobicContact CD-CD1 4.43Å; K2-L4 HydrophobicContact CD-CG 4.42Å; K2-L4 PolarHBondContact O-N 3.33Å; L4-E6 PolarHBondContact O-N 2.8Å
5D51.3Low67.6Low119 Ų11992.7 Ų92.764%0.63652%0.516SS*.  trans26.852.9165.9-145.131.8000115.4A3 K61A3-D5 VanDerWaalsContact C-N 3.32Å; A3-D5 PolarHBondContact O-N 3.25Å; A3-D5 VanDerWaalsContact O-N 3.08Å; D5-K61 IonicContact OD1-NZ 2.89Å; D5-K61 PolarHBondContact OD1-NZ 2.93Å; D5-K61 IonicContact OD2-NZ 2.7Å; D5-K61 PolarHBondContact OD2-NZ 3.03Å
6E59.7Low69.1Low118 Ų11886.9 Ų86.955%0.55148%0.484SS*.  trans-60.4124.3177.5-170.5-172.3170.100107.6L4 R103L4-E6 PolarHBondContact O-N 2.8Å; E6-R103 IonicContact OE1-CZ 3.79Å; E6-R103 IonicContact OE1-NE 3.97Å; E6-R103 PolarHBondContact OE1-NE 2.83Å; E6-R103 IonicContact OE1-NH2 2.67Å; E6-R103 PolarHBondContact OE1-NH2 3.32Å
7P69.2Low70.3Confident63 Ų6382.5 Ų82.541%0.40946%0.46SS..  trans-65.5146.1-173.228.9-36.4000109.9Y9 L10P7-Y9 WeakPolarHBondContact CB-O 3.39Å; P7-Y9 PolarHBondContact O-N 2.8Å; P7-L10 HydrophobicContact CG-CD2 4.31Å
8P72.6Confident71.4Confident39 Ų3977.9 Ų77.925%0.25343%0.434SS..SBendtrans-63.3-10.7-175.424.6-33.9000114.2V36 L83 D85P8-V36 WeakPolarHBondContact O-CG2 3.45Å; P8-L83 HydrophobicContact CB-CD1 4.35Å; P8-D85 WeakPolarHBondContact O-CB 3.26Å
9Y83.1Confident72.2Confident75 Ų7580.1 Ų80.129%0.29444%0.439SS..SBendtrans-159.6155169.356.4-80.4000108P7 R34 V36 Y89P7-Y9 WeakPolarHBondContact CB-O 3.39Å; P7-Y9 PolarHBondContact O-N 2.8Å; Y9-R34 HydrophobicContact CD1-CG 3.97Å; Y9-R34 HydrophobicContact CD2-CG 3.99Å; Y9-R34 VanDerWaalsContact CE1-CD 3.43Å; Y9-R34 HydrophobicContact CE1-CG 4.3Å; Y9-R34 HydrophobicContact CE2-CG 4.28Å; Y9-R34 HydrophobicContact CG-CG 3.83Å; Y9-R34 VanDerWaalsContact CZ-CD 3.47Å; Y9-V36 HydrophobicContact CD1-CG2 3.88Å; Y9-V36 HydrophobicContact CG-CG2 4.41Å; Y9-Y89 WeakPolarHBondContact CA-OH 3.34Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.36Å
10L88.2Confident72.7Confident2 Ų277.9 Ų77.91%0.0142%0.424CS..  trans-78.8155.8174.4-53.2-178.9000111.2P7 V16 I29 Y89 L106 L108P7-L10 HydrophobicContact CG-CD2 4.31Å; L10-V16 HydrophobicContact CD1-CG1 3.9Å; L10-I29 HydrophobicContact CB-CD1 3.52Å; L10-I29 HydrophobicContact CD1-CD1 3.85Å; L10-I29 HydrophobicContact CG-CD1 4.34Å; L10-Y89 HydrophobicContact CB-CD1 4.49Å; L10-Y89 HydrophobicContact CB-CE1 3.8Å; L10-Y89 PolarHBondContact N-OH 3.05Å; L10-Y89 WeakPolarHBondContact O-CE1 3.36Å; L10-L106 HydrophobicContact CD1-CD1 4.13Å; L10-L108 HydrophobicContact CD2-CD2 3.84Å
11T88.6Confident73.1Confident80 Ų8082.8 Ų82.849%0.49144%0.436SS..  trans-105156.7-177.649.30000112.7T14T11-T14 VanDerWaalsContact O-CB 3.26Å; T11-T14 WeakPolarHBondContact O-CB 3.31Å; T11-T14 PolarHBondContact O-N 3.04Å; T11-T14 PolarHBondContact O-OG1 3.48Å; T11-T14 PolarHBondContact OG1-OG1 3.29Å
12V91.4Very high75.5Confident90 Ų9074 Ų7455%0.54541%0.407SS..THydrogen-bonded Turntrans-59138.6168.2175.40000109.9T14 I29 K30 A32V12-T14 VanDerWaalsContact C-N 3.34Å; V12-I29 HydrophobicContact CG2-CG2 4.45Å; V12-K30 VanDerWaalsContact CG1-O 3.31Å; V12-K30 WeakPolarHBondContact CG1-O 3.46Å; V12-A32 HydrophobicContact CG2-CB 4.12Å
13G88.7Confident78.1Confident39 Ų3968.4 Ų68.440%0.40239%0.394SS..THydrogen-bonded Turntrans89.5-14.8-174.600000114.9I29G13-I29 PolarHBondContact N-O 3.11Å
14T90.9Very high80.4Confident32 Ų3267.6 Ų67.620%0.19637%0.37CS..  trans-64133.5176.8-59.20000111T11 V12 V16 I29 L108T11-T14 VanDerWaalsContact O-CB 3.26Å; T11-T14 WeakPolarHBondContact O-CB 3.31Å; T11-T14 PolarHBondContact O-N 3.04Å; T11-T14 PolarHBondContact O-OG1 3.48Å; T11-T14 PolarHBondContact OG1-OG1 3.29Å; V12-T14 VanDerWaalsContact C-N 3.34Å; T14-V16 HydrophobicContact CG2-CG1 4.25Å; T14-I29 PolarHBondContact O-N 3.31Å; T14-L108 HydrophobicContact CG2-CD2 3.84Å
15D91.5Very high82.8Confident66 Ų6662.8 Ų62.835%0.35335%0.348SS..EExtended strand (participates in β ladder)trans-81.7129.7172.3-71.4-55.3000111.5K28 K109D15-K28 IonicContact OD1-NZ 3.87Å; D15-K28 PolarHBondContact OD1-NZ 3.43Å; D15-K28 IonicContact OD2-NZ 3.69Å; D15-K28 PolarHBondContact OD2-NZ 3.15Å; D15-K109 HydrophobicContact CB-CB 3.75Å; D15-K109 HydrophobicContact CB-CD 3.7Å; D15-K109 HydrophobicContact CB-CG 4.36Å; D15-K109 PolarHBondContact O-N 2.96Å; D15-K109 VanDerWaalsContact O-N 3.1Å
16V92.2Very high84.7Confident0 Ų060.8 Ų60.80%034%0.335CS..EExtended strand (participates in β ladder)trans-135.7165.8-176.1-68.70000110.2L10 T14 A27 I29 V91 L106 C107L10-V16 HydrophobicContact CD1-CG1 3.9Å; T14-V16 HydrophobicContact CG2-CG1 4.25Å; V16-A27 HydrophobicContact CG2-CB 4.3Å; V16-A27 VanDerWaalsContact CG2-O 3.31Å; V16-A27 WeakPolarHBondContact CG2-O 3.26Å; V16-A27 PolarHBondContact N-O 3.46Å; V16-A27 PolarHBondContact O-N 2.88Å; V16-I29 HydrophobicContact CG1-CD1 4.02Å; V16-I29 HydrophobicContact CG1-CG1 4.21Å; V16-I29 HydrophobicContact CG2-CG1 4.03Å; V16-V91 HydrophobicContact CG2-CG1 3.84Å; V16-L106 HydrophobicContact CB-CB 4.45Å; V16-L106 HydrophobicContact CG1-CD1 4.46Å; V16-L106 HydrophobicContact CG2-CD1 4.44Å; V16-L106 HydrophobicContact CG2-CD2 4.19Å; V16-C107 CarbonylContact C-O 3.49Å; V16-C107 WeakPolarHBondContact CA-O 3.41Å; V16-C107 WeakPolarHBondContact CB-O 3.31Å
17S89.7Confident86.3Confident11 Ų1155.2 Ų55.28%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-119.8144.9165.7570000110.4C25 L106 C107 H113S17-C25 VanDerWaalsContact CA-O 3.3Å; S17-C25 WeakPolarHBondContact CA-O 3.34Å; S17-L106 WeakPolarHBondContact O-CA 3.15Å; S17-C107 PolarHBondContact N-O 3.45Å; S17-C107 PolarHBondContact O-N 3.02Å; S17-H113 WeakPolarHBondContact CB-NE2 3.48Å; S17-H113 PolarHBondContact OG-CE1 2.77Å; S17-H113 PolarHBondContact OG-NE2 3.01Å
18A90.2Very high87.5Confident0 Ų056.8 Ų56.80%031%0.31CS..EExtended strand (participates in β ladder)trans-147.5154-17400000112.3Y20 F24 C25 F93 L101 L106A18-Y20 PolarHBondContact O-N 3.38Å; A18-F24 WeakPolarHBondContact O-CA 3.28Å; A18-C25 PolarHBondContact N-O 3.38Å; A18-C25 PolarHBondContact O-N 2.81Å; A18-F93 HydrophobicContact CB-CE1 3.93Å; A18-F93 HydrophobicContact CB-CZ 3.94Å; A18-L101 HydrophobicContact CB-CD1 3.64Å; A18-L106 HydrophobicContact CB-CD2 3.73Å
19K86.6Confident88.6Confident120 Ų12055 Ų5552%0.52230%0.298SS..EExtended strand (participates in β ladder)trans-76.8113.7179.4-160.1175-175.4172.10111.1G22 A23 F24K19-G22 WeakPolarHBondContact CE-O 3.23Å; K19-A23 CarbonylContact C-O 3.51Å; K19-A23 VanDerWaalsContact CA-O 3.3Å; K19-A23 WeakPolarHBondContact CA-O 3.36Å; K19-A23 VanDerWaalsContact CG-O 3.28Å; K19-A23 WeakPolarHBondContact CG-O 3.45Å; K19-F24 HydrophobicContact CB-CD1 3.91Å; K19-F24 HydrophobicContact CB-CE1 3.75Å; K19-F24 HydrophobicContact CD-CE1 4.41Å; K19-F24 HydrophobicContact CD-CZ 4.4Å; K19-F24 HydrophobicContact CG-CD1 4.28Å; K19-F24 HydrophobicContact CG-CE1 4.12Å
20Y82.3Confident89Confident35 Ų3556.3 Ų56.314%0.13731%0.305CS..EExtended strand (participates in β ladder)trans-134136.6-178.9-163.1-130.6000112A18 G22 A23 F93 D97 K99A18-Y20 PolarHBondContact O-N 3.38Å; Y20-G22 PolarHBondContact O-N 2.93Å; Y20-A23 PolarHBondContact N-O 3.19Å; Y20-A23 CarbonylContact O-C 3.04Å; Y20-A23 PolarHBondContact O-N 3.16Å; Y20-A23 VanDerWaalsContact O-O 3.07Å; Y20-F93 HydrophobicContact CD1-CD1 4.25Å; Y20-F93 AromaticContact CD1-CD2 3.82Å; Y20-F93 HydrophobicContact CD1-CD2 3.82Å; Y20-F93 HydrophobicContact CD1-CE1 4.46Å; Y20-F93 HydrophobicContact CD1-CE2 4.05Å; Y20-F93 AromaticContact CD1-CG 3.95Å; Y20-F93 HydrophobicContact CD1-CG 3.95Å; Y20-F93 HydrophobicContact CD1-CZ 4.38Å; Y20-F93 HydrophobicContact CD2-CD2 4.31Å; Y20-F93 AromaticContact CD2-CE2 3.78Å; Y20-F93 HydrophobicContact CD2-CE2 3.78Å; Y20-F93 HydrophobicContact CD2-CZ 4.11Å; Y20-F93 HydrophobicContact CE1-CD2 4.04Å; Y20-F93 HydrophobicContact CE1-CE2 4.46Å; Y20-F93 HydrophobicContact CE1-CG 4.4Å; Y20-F93 HydrophobicContact CE2-CE2 4.3Å; Y20-F93 HydrophobicContact CG-CD1 4.37Å; Y20-F93 AromaticContact CG-CD2 3.98Å; Y20-F93 HydrophobicContact CG-CD2 3.98Å; Y20-F93 HydrophobicContact CG-CE1 4.12Å; Y20-F93 AromaticContact CG-CE2 3.7Å; Y20-F93 HydrophobicContact CG-CE2 3.7Å; Y20-F93 HydrophobicContact CG-CG 4.32Å; Y20-F93 AromaticContact CG-CZ 3.79Å; Y20-F93 HydrophobicContact CG-CZ 3.79Å; Y20-D97 HydrophobicContact CE1-CB 3.86Å; Y20-D97 WeakPolarHBondContact OH-CB 3.42Å; Y20-D97 PolarHBondContact OH-OD2 2.77Å; Y20-K99 HydrophobicContact CD2-CD 4.02Å; Y20-K99 HydrophobicContact CE2-CD 4.18Å
21R81.6Confident89.1Confident181 Ų18159.4 Ų59.468%0.68332%0.324SS*.THydrogen-bonded Turntrans45.316.4-172.2-64.8-176.6170.3107.16.3116.8D95 D97R21-D95 IonicContact NH1-OD2 2.84Å; R21-D95 PolarHBondContact NH1-OD2 2.81Å; R21-D97 IonicContact CZ-OD2 3.25Å; R21-D97 IonicContact NH1-OD2 2.72Å; R21-D97 PolarHBondContact NH1-OD2 2.8Å; R21-D97 IonicContact NH2-OD2 3.97Å; R21-D97 PolarHBondContact NH2-OD2 2.98Å
22G81.8Confident89.2Confident56 Ų5657.4 Ų57.458%0.57732%0.316SS*.THydrogen-bonded Turntrans110.1-28-178.700000113.8K19 Y20K19-G22 WeakPolarHBondContact CE-O 3.23Å; Y20-G22 PolarHBondContact O-N 2.93Å
23A83.6Confident89.2Confident58 Ų5860.6 Ų60.648%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-85.1177.3173.700000112K19 Y20K19-A23 CarbonylContact C-O 3.51Å; K19-A23 VanDerWaalsContact CA-O 3.3Å; K19-A23 WeakPolarHBondContact CA-O 3.36Å; K19-A23 VanDerWaalsContact CG-O 3.28Å; K19-A23 WeakPolarHBondContact CG-O 3.45Å; Y20-A23 PolarHBondContact N-O 3.19Å; Y20-A23 CarbonylContact O-C 3.04Å; Y20-A23 PolarHBondContact O-N 3.16Å; Y20-A23 VanDerWaalsContact O-O 3.07Å
24F86.4Confident89.1Confident91 Ų9164 Ų6440%0.39932%0.323SS..EExtended strand (participates in β ladder)trans-104.5125.6163.4-69-76.8000108.6A18 K19 H113 F114A18-F24 WeakPolarHBondContact O-CA 3.28Å; K19-F24 HydrophobicContact CB-CD1 3.91Å; K19-F24 HydrophobicContact CB-CE1 3.75Å; K19-F24 HydrophobicContact CD-CE1 4.41Å; K19-F24 HydrophobicContact CD-CZ 4.4Å; K19-F24 HydrophobicContact CG-CD1 4.28Å; K19-F24 HydrophobicContact CG-CE1 4.12Å; F24-H113 HydrophobicContact CD1-CB 4.49Å; F24-H113 AromaticContact CD1-CD2 3.37Å; F24-H113 WeakPolarHBondContact CD1-CD2 3.47Å; F24-H113 AromaticContact CD1-CE1 3.43Å; F24-H113 VanDerWaalsContact CD1-CE1 3.43Å; F24-H113 WeakPolarHBondContact CD1-CE1 3.19Å; F24-H113 AromaticContact CD1-CG 3.61Å; F24-H113 AromaticContact CD1-ND1 3.64Å; F24-H113 AromaticContact CD1-NE2 3.26Å; F24-H113 VanDerWaalsContact CD1-NE2 3.26Å; F24-H113 WeakPolarHBondContact CD1-NE2 3.29Å; F24-H113 HydrophobicContact CD2-CB 4.5Å; F24-H113 AromaticContact CD2-CD2 3.79Å; F24-H113 HydrophobicContact CE1-CB 4.03Å; F24-H113 AromaticContact CE1-CD2 3.79Å; F24-H113 AromaticContact CE1-CE1 3.76Å; F24-H113 AromaticContact CE1-CG 3.51Å; F24-H113 AromaticContact CE1-ND1 3.49Å; F24-H113 WeakPolarHBondContact CE1-ND1 3.44Å; F24-H113 AromaticContact CE1-NE2 3.95Å; F24-H113 HydrophobicContact CE2-CB 4.04Å; F24-H113 AromaticContact CG-CD2 3.36Å; F24-H113 WeakPolarHBondContact CG-CD2 3.48Å; F24-H113 AromaticContact CG-CG 3.95Å; F24-H113 AromaticContact CG-NE2 3.53Å; F24-H113 HydrophobicContact CZ-CB 3.78Å; F24-H113 AromaticContact CZ-CG 3.77Å; F24-F114 HydrophobicContact CE2-CE2 4.24Å; F24-F114 HydrophobicContact CE2-CZ 4.38Å
25C89.8Confident88.9Confident43 Ų4365 Ų6529%0.29133%0.327SS..EExtended strand (participates in β ladder)trans-117.3152-178.8-60.10000109.4S17 A18 F93S17-C25 VanDerWaalsContact CA-O 3.3Å; S17-C25 WeakPolarHBondContact CA-O 3.34Å; A18-C25 PolarHBondContact N-O 3.38Å; A18-C25 PolarHBondContact O-N 2.81Å; C25-F93 HydrophobicContact CB-CD1 3.66Å; C25-F93 HydrophobicContact CB-CE1 3.98Å
26E91.2Very high88.8Confident77 Ų7761.9 Ų61.936%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-75.4150.3168.5-55.3-164138.600109.9F93 K109E26-F93 WeakPolarHBondContact O-CD1 3.49Å; E26-K109 VanDerWaalsContact CD-CE 3.43Å; E26-K109 VanDerWaalsContact CD-NZ 3.35Å; E26-K109 WeakPolarHBondContact OE1-CE 3.38Å; E26-K109 IonicContact OE1-NZ 2.74Å; E26-K109 WeakPolarHBondContact OE2-CE 3.33Å; E26-K109 IonicContact OE2-NZ 3.33Å; E26-K109 PolarHBondContact OE2-NZ 3.11Å
27A93.4Very high88.7Confident2 Ų266 Ų662%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-157.1155.6-177.500000111.1V16 V91 V92 F93V16-A27 HydrophobicContact CG2-CB 4.3Å; V16-A27 VanDerWaalsContact CG2-O 3.31Å; V16-A27 WeakPolarHBondContact CG2-O 3.26Å; V16-A27 PolarHBondContact N-O 3.46Å; V16-A27 PolarHBondContact O-N 2.88Å; A27-V91 HydrophobicContact CB-CB 3.87Å; A27-V91 HydrophobicContact CB-CG2 3.99Å; A27-V92 CarbonylContact C-O 3.52Å; A27-V92 WeakPolarHBondContact CA-O 3.24Å; A27-V92 WeakPolarHBondContact CB-O 3.28Å; A27-F93 HydrophobicContact CB-CD1 3.65Å; A27-F93 HydrophobicContact CB-CE1 3.82Å; A27-F93 HydrophobicContact CB-CG 4.22Å
28K94.1Very high88.8Confident95 Ų9565.5 Ų65.541%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-113.9133.7176.4-168.9177.3-65.6-60.90110.6D15 K30 V91 V92D15-K28 IonicContact OD1-NZ 3.87Å; D15-K28 PolarHBondContact OD1-NZ 3.43Å; D15-K28 IonicContact OD2-NZ 3.69Å; D15-K28 PolarHBondContact OD2-NZ 3.15Å; K28-K30 PolarHBondContact O-N 3Å; K28-V91 WeakPolarHBondContact O-CA 3.28Å; K28-V92 PolarHBondContact N-O 3.04Å; K28-V92 PolarHBondContact O-N 3.05Å
29I94.5Very high88.9Confident1 Ų169.8 Ų69.81%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-67.7113.7176.5-61179.4000109.4L10 V12 G13 T14 V16 T31 A32 Y89 V91 L106L10-I29 HydrophobicContact CB-CD1 3.52Å; L10-I29 HydrophobicContact CD1-CD1 3.85Å; L10-I29 HydrophobicContact CG-CD1 4.34Å; V12-I29 HydrophobicContact CG2-CG2 4.45Å; G13-I29 PolarHBondContact N-O 3.11Å; T14-I29 PolarHBondContact O-N 3.31Å; V16-I29 HydrophobicContact CG1-CD1 4.02Å; V16-I29 HydrophobicContact CG1-CG1 4.21Å; V16-I29 HydrophobicContact CG2-CG1 4.03Å; I29-T31 WeakPolarHBondContact CG2-O 3.25Å; I29-A32 HydrophobicContact CG2-CB 4.43Å; I29-Y89 HydrophobicContact CD1-CD1 3.88Å; I29-Y89 HydrophobicContact CD1-CE1 4.36Å; I29-Y89 HydrophobicContact CD1-CG 4.25Å; I29-Y89 HydrophobicContact CG2-CD1 3.98Å; I29-V91 HydrophobicContact CG1-CG1 3.97Å; I29-L106 HydrophobicContact CD1-CD1 4.37Å
30K93.1Very high89.2Confident104 Ų10464 Ų6445%0.45232%0.318SS..EExtended strand (participates in β ladder)trans-89.5-39.2176.7178.2-174.5173.1-173.80112.1V12 K28 T90 V92 E98V12-K30 VanDerWaalsContact CG1-O 3.31Å; V12-K30 WeakPolarHBondContact CG1-O 3.46Å; K28-K30 PolarHBondContact O-N 3Å; K30-T90 PolarHBondContact N-O 3.23Å; K30-V92 HydrophobicContact CB-CG2 3.74Å; K30-V92 HydrophobicContact CD-CG2 3.64Å; K30-V92 HydrophobicContact CG-CG2 4.21Å; K30-E98 WeakPolarHBondContact CD-OE1 3.32Å; K30-E98 WeakPolarHBondContact CD-OE2 3.48Å; K30-E98 IonicContact NZ-OE1 3.35Å; K30-E98 PolarHBondContact NZ-OE1 2.84Å; K30-E98 IonicContact NZ-OE2 3.52Å; K30-E98 PolarHBondContact NZ-OE2 2.97Å
31T89.8Confident89.7Confident66 Ų6664 Ų6441%0.40532%0.322SS..EExtended strand (participates in β ladder)trans-139.1153.217378.40000111.3I29 Y89 T90I29-T31 WeakPolarHBondContact CG2-O 3.25Å; T31-Y89 WeakPolarHBondContact O-CA 3.23Å; T31-T90 PolarHBondContact N-O 3.21Å; T31-T90 VanDerWaalsContact N-O 3.15Å; T31-T90 PolarHBondContact O-N 2.77Å; T31-T90 VanDerWaalsContact OG1-CB 3.31Å; T31-T90 WeakPolarHBondContact OG1-CB 3.46Å; T31-T90 PolarHBondContact OG1-OG1 2.96Å
32A91.6Very high90.1Very high38 Ų3855.6 Ų55.631%0.31429%0.29SS..EExtended strand (participates in β ladder)trans-134.8111.717800000110.1V12 I29 R34 Y89V12-A32 HydrophobicContact CG2-CB 4.12Å; I29-A32 HydrophobicContact CG2-CB 4.43Å; A32-R34 PolarHBondContact O-N 3.34Å; A32-Y89 HydrophobicContact CB-CD1 3.66Å; A32-Y89 HydrophobicContact CB-CE1 3.75Å
33K89.9Confident90.4Very high158 Ų15859.5 Ų59.569%0.68729%0.287SS*.EExtended strand (participates in β ladder)trans-88.790168.8-175.1176.6-178.5177.10107.9S87 W88K33-S87 WeakPolarHBondContact O-CA 3.32Å; K33-S87 WeakPolarHBondContact O-CB 3.24Å; K33-W88 HydrophobicContact CB-CB 4.42Å; K33-W88 PolarHBondContact N-O 3.33Å; K33-W88 PolarHBondContact O-N 3.49Å; K33-W88 VanDerWaalsContact O-N 3.07Å
34R86.9Confident90.2Very high111 Ų11163 Ų6342%0.41929%0.294SS..  trans-57.2134.4-178.9-165.8-178.480.2-137.90.7111Y9 A32 V36 D53 D54 S87Y9-R34 HydrophobicContact CD1-CG 3.97Å; Y9-R34 HydrophobicContact CD2-CG 3.99Å; Y9-R34 VanDerWaalsContact CE1-CD 3.43Å; Y9-R34 HydrophobicContact CE1-CG 4.3Å; Y9-R34 HydrophobicContact CE2-CG 4.28Å; Y9-R34 HydrophobicContact CG-CG 3.83Å; Y9-R34 VanDerWaalsContact CZ-CD 3.47Å; A32-R34 PolarHBondContact O-N 3.34Å; R34-V36 HydrophobicContact CG-CG2 4.13Å; R34-D53 IonicContact CZ-OD2 2.61Å; R34-D53 IonicContact NE-OD2 3.39Å; R34-D53 PolarHBondContact NE-OD2 3.42Å; R34-D53 IonicContact NH2-OD2 2.71Å; R34-D53 PolarHBondContact NH2-OD2 3.06Å; R34-D54 IonicContact NH2-OD1 2.69Å; R34-D54 PolarHBondContact NH2-OD1 3.05Å; R34-S87 WeakPolarHBondContact CA-OG 3.01Å
35L86.8Confident90Very high52 Ų5263.7 Ų63.727%0.27230%0.301SS..  trans-156.795.6169.7179.766.6000108.5Q52 A86 S87L35-Q52 HydrophobicContact CD1-CG 4Å; L35-A86 HydrophobicContact CD2-CB 4.25Å; L35-A86 HydrophobicContact CG-CB 4.31Å; L35-A86 CarbonylContact O-C 3.48Å; L35-A86 VanDerWaalsContact O-C 3.22Å; L35-A86 VanDerWaalsContact O-CA 3.29Å; L35-A86 WeakPolarHBondContact O-CA 3.29Å; L35-A86 WeakPolarHBondContact O-CB 3.42Å; L35-A86 PolarHBondContact O-N 2.78Å; L35-S87 PolarHBondContact N-OG 3.48Å; L35-S87 PolarHBondContact O-N 2.82Å; L35-S87 VanDerWaalsContact O-N 3.14Å
36V89.6Confident89.7Confident0 Ų066.1 Ų66.10%032%0.319CS..EExtended strand (participates in β ladder)trans-101.4120.6179.5-172.70000109P8 Y9 R34 V38 D53 L83P8-V36 WeakPolarHBondContact O-CG2 3.45Å; Y9-V36 HydrophobicContact CD1-CG2 3.88Å; Y9-V36 HydrophobicContact CG-CG2 4.41Å; R34-V36 HydrophobicContact CG-CG2 4.13Å; V36-V38 HydrophobicContact CG1-CG2 4.19Å; V36-D53 WeakPolarHBondContact CA-OD1 3.39Å; V36-D53 HydrophobicContact CB-CB 4.09Å; V36-D53 PolarHBondContact N-OD1 2.92Å; V36-D53 PolarHBondContact O-N 2.94Å; V36-D53 VanDerWaalsContact O-N 3.09Å; V36-L83 HydrophobicContact CG1-CD2 4.06Å
37K90.1Very high89.5Confident88 Ų8864.9 Ų64.938%0.38332%0.318SS..EExtended strand (participates in β ladder)trans-87.8128.7171.8-60.7-159-172.3-176.10110.1E50 T84 A86K37-E50 HydrophobicContact CB-CG 4.29Å; K37-E50 WeakPolarHBondContact CD-OE1 3.33Å; K37-E50 IonicContact NZ-OE1 3.64Å; K37-T84 PolarHBondContact N-O 3.04Å; K37-T84 PolarHBondContact O-N 3.08Å; K37-A86 HydrophobicContact CG-CB 4.12Å
38V91.9Very high89.4Confident0 Ų068.4 Ų68.40%034%0.34CS..EExtended strand (participates in β ladder)trans-122.1115.2-172.9-165.80000109.3V36 V40 E50 V51 I56 L60 I80 L83V36-V38 HydrophobicContact CG1-CG2 4.19Å; V38-V40 HydrophobicContact CG1-CG1 3.92Å; V38-E50 WeakPolarHBondContact O-CA 3.46Å; V38-V51 HydrophobicContact CB-CG2 4.41Å; V38-V51 PolarHBondContact N-O 2.82Å; V38-V51 PolarHBondContact O-N 2.77Å; V38-I56 HydrophobicContact CB-CD1 3.53Å; V38-I56 HydrophobicContact CG1-CD1 3.48Å; V38-I56 VanDerWaalsContact CG1-CD1 3.48Å; V38-I56 HydrophobicContact CG2-CD1 3.87Å; V38-L60 HydrophobicContact CG2-CD2 4.16Å; V38-I80 HydrophobicContact CG1-CB 4.31Å; V38-I80 HydrophobicContact CG1-CD1 3.93Å; V38-I80 HydrophobicContact CG1-CG1 3.83Å; V38-I80 HydrophobicContact CG1-CG2 3.69Å; V38-L83 HydrophobicContact CB-CD2 4.33Å; V38-L83 HydrophobicContact CG1-CD2 3.81Å; V38-L83 HydrophobicContact CG2-CD2 3.81Å
39K92.1Very high89.2Confident89 Ų8966.9 Ų66.939%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-91.4116.1174.4-174.9169.5-177.61690110V49 N81 K82K39-V49 WeakPolarHBondContact CA-O 3.16Å; K39-N81 WeakPolarHBondContact O-CB 3.36Å; K39-N81 PolarHBondContact O-N 3.21Å; K39-N81 PolarHBondContact O-ND2 2.89Å; K39-K82 HydrophobicContact CB-CB 4.27Å; K39-K82 PolarHBondContact N-O 3.29Å; K39-K82 PolarHBondContact O-N 2.72Å
40V92.7Very high89.1Confident0 Ų071.9 Ų71.90%036%0.362CS..EExtended strand (participates in β ladder)trans-114.6157.7-173.9-60.50000111.9V38 F42 T48 V49 I56 V68 A78 V79 I80 N81V38-V40 HydrophobicContact CG1-CG1 3.92Å; V40-F42 HydrophobicContact CG2-CE2 4.36Å; V40-T48 WeakPolarHBondContact O-CA 3.46Å; V40-T48 WeakPolarHBondContact O-CB 3.33Å; V40-V49 HydrophobicContact CG2-CB 4.45Å; V40-V49 WeakPolarHBondContact CG2-O 3.48Å; V40-V49 PolarHBondContact N-O 2.96Å; V40-V49 PolarHBondContact O-N 3.43Å; V40-V49 VanDerWaalsContact O-N 3.09Å; V40-I56 HydrophobicContact CG1-CD1 3.93Å; V40-V68 HydrophobicContact CB-CG2 4.38Å; V40-V68 HydrophobicContact CG1-CG2 4.05Å; V40-V68 HydrophobicContact CG2-CG1 4.44Å; V40-V68 HydrophobicContact CG2-CG2 4.16Å; V40-A78 HydrophobicContact CB-CB 3.82Å; V40-A78 HydrophobicContact CG2-CB 4.11Å; V40-V79 CarbonylContact C-O 3.59Å; V40-V79 VanDerWaalsContact CA-O 3.25Å; V40-V79 WeakPolarHBondContact CA-O 3.48Å; V40-I80 HydrophobicContact CG1-CG1 4.29Å; V40-N81 PolarHBondContact O-ND2 2.86Å
41T92.2Very high89Confident35 Ų3568 Ų6822%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-119.6121.4167.7-54.80000109.1S47 T48 A78 V79 N81T41-S47 WeakPolarHBondContact CA-O 3.3Å; T41-T48 HydrophobicContact CG2-CG2 4.25Å; T41-A78 CarbonylContact O-C 3.57Å; T41-A78 WeakPolarHBondContact O-CA 3.13Å; T41-A78 WeakPolarHBondContact O-CB 3.26Å; T41-V79 PolarHBondContact N-O 3.06Å; T41-V79 PolarHBondContact O-N 3.42Å; T41-N81 PolarHBondContact N-ND2 2.63Å; T41-N81 VanDerWaalsContact N-ND2 3.18Å; T41-N81 PolarHBondContact OG1-ND2 3.17Å; T41-N81 PolarHBondContact OG1-OD1 2.96Å; T41-N81 VanDerWaalsContact OG1-OD1 3.05Å
42F91.4Very high89Confident4 Ų469 Ų692%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-69.9134.9177.5-71.2-79000111.5V40 H44 S46 S47 V49 V68 N70 Q76 A78V40-F42 HydrophobicContact CG2-CE2 4.36Å; F42-H44 VanDerWaalsContact C-N 3.32Å; F42-H44 PolarHBondContact O-N 2.97Å; F42-S46 WeakPolarHBondContact O-CA 3.42Å; F42-S46 PolarHBondContact O-N 3.24Å; F42-S46 VanDerWaalsContact O-N 3.07Å; F42-S47 WeakPolarHBondContact CD2-OG 2.98Å; F42-S47 PolarHBondContact N-O 3.05Å; F42-V49 HydrophobicContact CD2-CG2 4.37Å; F42-V49 HydrophobicContact CE2-CB 4.03Å; F42-V49 HydrophobicContact CE2-CG2 3.75Å; F42-V68 HydrophobicContact CE1-CB 3.87Å; F42-V68 HydrophobicContact CE1-CG1 4.33Å; F42-V68 HydrophobicContact CZ-CB 4.03Å; F42-V68 HydrophobicContact CZ-CG1 3.96Å; F42-N70 WeakPolarHBondContact CZ-OD1 3.38Å; F42-Q76 HydrophobicContact CD1-CB 3.93Å; F42-Q76 HydrophobicContact CD1-CG 3.88Å; F42-Q76 HydrophobicContact CE1-CB 3.88Å; F42-Q76 HydrophobicContact CE1-CG 4.34Å; F42-A78 HydrophobicContact CD1-CB 3.81Å; F42-A78 HydrophobicContact CE1-CB 4.09Å; F42-A78 HydrophobicContact CG-CB 4.25Å
43R86.9Confident88.8Confident137 Ų13767.7 Ų67.752%0.51734%0.335SS..THydrogen-bonded Turntrans-70.6-25.5-172.6-68-173.470-160.11.7114.2E77 V79R43-E77 VanDerWaalsContact CD-OE2 3.29Å; R43-E77 WeakPolarHBondContact CD-OE2 3.24Å; R43-E77 HydrophobicContact CG-CB 4.3Å; R43-E77 IonicContact CZ-OE2 2.67Å; R43-E77 PolarHBondContact N-O 3.38Å; R43-E77 IonicContact NE-OE2 3.73Å; R43-E77 IonicContact NH1-OE2 3.79Å; R43-E77 PolarHBondContact NH1-OE2 3.35Å; R43-V79 HydrophobicContact CG-CG2 4.15Å
44H80.8Confident88.7Confident133 Ų13365.8 Ų65.862%0.61633%0.332SS*.THydrogen-bonded Turntrans-89.3-48.9-177.5-62.8-79000111.8F42F42-H44 VanDerWaalsContact C-N 3.32Å; F42-H44 PolarHBondContact O-N 2.97Å
45D81.5Confident88.8Confident105 Ų10564.2 Ų64.256%0.56133%0.329SS*.THydrogen-bonded Turntrans-100.7-4.7-169.3-47.3-60.8000113.4S47 Q76D45-S47 PolarHBondContact O-N 3.31Å; D45-Q76 PolarHBondContact OD2-NE2 2.86Å
46S83.8Confident88.9Confident93 Ų9362.7 Ų62.765%0.6532%0.321SS*.  trans56.29.5-175.6-56.90000115.5F42F42-S46 WeakPolarHBondContact O-CA 3.42Å; F42-S46 PolarHBondContact O-N 3.24Å; F42-S46 VanDerWaalsContact O-N 3.07Å
47S87.4Confident88.9Confident51 Ų5167.2 Ų67.236%0.35734%0.341SS..  trans-70.5143.117754.90000111T41 F42 D45T41-S47 WeakPolarHBondContact CA-O 3.3Å; F42-S47 WeakPolarHBondContact CD2-OG 2.98Å; F42-S47 PolarHBondContact N-O 3.05Å; D45-S47 PolarHBondContact O-N 3.31Å
48T89.8Confident88.8Confident77 Ų7765.3 Ų65.347%0.47235%0.346SS..EExtended strand (participates in β ladder)trans-109.9128.7176.273.10000111.5V40 T41V40-T48 WeakPolarHBondContact O-CA 3.46Å; V40-T48 WeakPolarHBondContact O-CB 3.33Å; T41-T48 HydrophobicContact CG2-CG2 4.25Å
49V90.5Very high88.5Confident63 Ų6369.3 Ų69.338%0.38237%0.372SS..EExtended strand (participates in β ladder)trans-129.6152.3-179.8-178.60000109.4K39 V40 F42 V51K39-V49 WeakPolarHBondContact CA-O 3.16Å; V40-V49 HydrophobicContact CG2-CB 4.45Å; V40-V49 WeakPolarHBondContact CG2-O 3.48Å; V40-V49 PolarHBondContact N-O 2.96Å; V40-V49 PolarHBondContact O-N 3.43Å; V40-V49 VanDerWaalsContact O-N 3.09Å; F42-V49 HydrophobicContact CD2-CG2 4.37Å; F42-V49 HydrophobicContact CE2-CB 4.03Å; F42-V49 HydrophobicContact CE2-CG2 3.75Å; V49-V51 HydrophobicContact CG1-CG1 3.91Å
50E91.7Very high88.3Confident106 Ų10667 Ų6750%0.49536%0.364SS..EExtended strand (participates in β ladder)trans-109.3121.4171.8-170.6171.8127.700108.9K37 V38K37-E50 HydrophobicContact CB-CG 4.29Å; K37-E50 WeakPolarHBondContact CD-OE1 3.33Å; K37-E50 IonicContact NZ-OE1 3.64Å; V38-E50 WeakPolarHBondContact O-CA 3.46Å
51V91.2Very high88Confident21 Ų2171.9 Ų71.913%0.12739%0.385CS..EExtended strand (participates in β ladder)trans-126.2165.9-177.5-61.20000110.9V38 V49 H55 I56 V68V38-V51 HydrophobicContact CB-CG2 4.41Å; V38-V51 PolarHBondContact N-O 2.82Å; V38-V51 PolarHBondContact O-N 2.77Å; V49-V51 HydrophobicContact CG1-CG1 3.91Å; V51-H55 HydrophobicContact CB-CB 4.4Å; V51-I56 HydrophobicContact CG2-CD1 3.58Å; V51-I56 HydrophobicContact CG2-CG1 3.64Å; V51-V68 HydrophobicContact CB-CG1 4.47Å; V51-V68 HydrophobicContact CG1-CG1 3.9Å; V51-V68 HydrophobicContact CG2-CG1 3.95Å
52Q90.4Very high87.8Confident89 Ų8974.7 Ų74.742%0.41640%0.402SS..EExtended strand (participates in β ladder)trans-83.5156.5169.9-67.6172.5-10.300110.3L35 D54 H55L35-Q52 HydrophobicContact CD1-CG 4Å; Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3Å; Q52-H55 PolarHBondContact O-N 2.87Å
53D87Confident87.5Confident10 Ų1077.1 Ų77.15%0.05343%0.428CS..G310 helixtrans-60.3-31.8179.852.8-67.8000113.9R34 V36 H55 I56 L60R34-D53 IonicContact CZ-OD2 2.61Å; R34-D53 IonicContact NE-OD2 3.39Å; R34-D53 PolarHBondContact NE-OD2 3.42Å; R34-D53 IonicContact NH2-OD2 2.71Å; R34-D53 PolarHBondContact NH2-OD2 3.06Å; V36-D53 WeakPolarHBondContact CA-OD1 3.39Å; V36-D53 HydrophobicContact CB-CB 4.09Å; V36-D53 PolarHBondContact N-OD1 2.92Å; V36-D53 PolarHBondContact O-N 2.94Å; V36-D53 VanDerWaalsContact O-N 3.09Å; D53-H55 PolarHBondContact O-N 2.89Å; D53-H55 VanDerWaalsContact O-N 3.09Å; D53-I56 PolarHBondContact O-N 3.22Å; D53-L60 HydrophobicContact CB-CD1 3.88Å; D53-L60 HydrophobicContact CB-CD2 4.24Å
54D88.3Confident87.6Confident118 Ų11871.3 Ų71.363%0.63141%0.409SS*.G310 helixtrans-63.9-13.1174.7-65.4-28.3000113.9R34 Q52R34-D54 IonicContact NH2-OD1 2.69Å; R34-D54 PolarHBondContact NH2-OD1 3.05Å; Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3Å
55H88.8Confident88.1Confident78 Ų7869.4 Ų69.436%0.36140%0.403SS..G310 helixtrans-99.35.8174.4-65.3158.2000113.7V51 Q52 D53 K69V51-H55 HydrophobicContact CB-CB 4.4Å; Q52-H55 PolarHBondContact O-N 2.87Å; D53-H55 PolarHBondContact O-N 2.89Å; D53-H55 VanDerWaalsContact O-N 3.09Å; H55-K69 HydrophobicContact CB-CB 4.33Å; H55-K69 PolarHBondContact O-N 2.98Å
56I89.6Confident88.7Confident19 Ų1964.7 Ų64.710%0.09738%0.378CS..EExtended strand (participates in β ladder)trans-115.6135.5-179.7-61.9-161.6000111.3V38 V40 V51 D53 L60 V66 E67 V68V38-I56 HydrophobicContact CB-CD1 3.53Å; V38-I56 HydrophobicContact CG1-CD1 3.48Å; V38-I56 VanDerWaalsContact CG1-CD1 3.48Å; V38-I56 HydrophobicContact CG2-CD1 3.87Å; V40-I56 HydrophobicContact CG1-CD1 3.93Å; V51-I56 HydrophobicContact CG2-CD1 3.58Å; V51-I56 HydrophobicContact CG2-CG1 3.64Å; D53-I56 PolarHBondContact O-N 3.22Å; I56-L60 HydrophobicContact CB-CD2 4.45Å; I56-L60 HydrophobicContact CG2-CD2 4.21Å; I56-V66 HydrophobicContact CD1-CG2 4.42Å; I56-V66 HydrophobicContact CG2-CB 3.66Å; I56-V66 HydrophobicContact CG2-CG1 4.01Å; I56-V66 HydrophobicContact CG2-CG2 3.75Å; I56-E67 WeakPolarHBondContact CA-O 3.44Å; I56-V68 HydrophobicContact CD1-CG2 4.24Å; I56-V68 HydrophobicContact CG1-CG2 4.17Å
57K89Confident89.1Confident96 Ų9664.3 Ų64.342%0.41737%0.366SS..EExtended strand (participates in β ladder)trans-110.8124.7164.7-63.9166175.3164.30110.1V66 E67 Y75K57-V66 WeakPolarHBondContact O-CA 3.4Å; K57-V66 WeakPolarHBondContact O-CB 3.28Å; K57-E67 HydrophobicContact CB-CB 4.25Å; K57-E67 WeakPolarHBondContact CD-OE2 3.37Å; K57-E67 PolarHBondContact N-O 2.85Å; K57-E67 IonicContact NZ-OE2 3.67Å; K57-E67 PolarHBondContact O-N 3.22Å; K57-Y75 HydrophobicContact CD-CD1 3.86Å; K57-Y75 HydrophobicContact CD-CE1 3.59Å; K57-Y75 VanDerWaalsContact CE-CE1 3.42Å; K57-Y75 HydrophobicContact CG-CD1 4.47Å; K57-Y75 HydrophobicContact CG-CE1 3.97Å; K57-Y75 VanDerWaalsContact NZ-CE2 3.29Å; K57-Y75 VanDerWaalsContact NZ-CZ 3.33Å
58G87.7Confident89.3Confident48 Ų4861.9 Ų61.950%0.49535%0.349SS..SBendtrans131.9-178.4178.500000112L60G58-L60 PolarHBondContact O-N 2.77Å
59P85.8Confident89.4Confident84 Ų8462.3 Ų62.355%0.54534%0.344SS..  trans-72.5123.1-178.227.7-31.6000111.2K61 A64P59-K61 PolarHBondContact O-N 2.94Å; P59-A64 HydrophobicContact CG-CB 4.03Å; P59-A64 WeakPolarHBondContact O-CB 3.29Å
60L87.1Confident89Confident41 Ų4161.6 Ų61.622%0.21534%0.338CS..  trans-72.271173.5-63.6174.7000111V38 D53 I56 G58 I80 L83V38-L60 HydrophobicContact CG2-CD2 4.16Å; D53-L60 HydrophobicContact CB-CD1 3.88Å; D53-L60 HydrophobicContact CB-CD2 4.24Å; I56-L60 HydrophobicContact CB-CD2 4.45Å; I56-L60 HydrophobicContact CG2-CD2 4.21Å; G58-L60 PolarHBondContact O-N 2.77Å; L60-I80 HydrophobicContact CD2-CD1 4.48Å; L60-L83 HydrophobicContact CB-CD2 4.32Å; L60-L83 HydrophobicContact CD2-CD2 4.45Å; L60-L83 VanDerWaalsContact O-CD1 3.3Å; L60-L83 WeakPolarHBondContact O-CD1 3.14Å
61K87.3Confident88.2Confident102 Ų10265.3 Ų65.344%0.44336%0.36SS..SBendtrans-132.2141.6172.4-66-156.6171.6-148.20110.5D5 P59 G63 A64D5-K61 IonicContact OD1-NZ 2.89Å; D5-K61 PolarHBondContact OD1-NZ 2.93Å; D5-K61 IonicContact OD2-NZ 2.7Å; D5-K61 PolarHBondContact OD2-NZ 3.03Å; P59-K61 PolarHBondContact O-N 2.94Å; K61-G63 PolarHBondContact O-N 3.45Å; K61-A64 WeakPolarHBondContact O-CB 3.47Å; K61-A64 PolarHBondContact O-N 3.25Å; K61-A64 VanDerWaalsContact O-N 3.08Å
62V87.6Confident87.6Confident93 Ų9371.4 Ų71.456%0.56439%0.392SS*.THydrogen-bonded Turntrans-62.8134.9176.6176.50000109.9A64 I80 N81 L83V62-A64 VanDerWaalsContact C-N 3.33Å; V62-I80 HydrophobicContact CG2-CG2 4.32Å; V62-N81 WeakPolarHBondContact CG1-O 3.31Å; V62-L83 HydrophobicContact CG2-CB 4.41Å; V62-L83 HydrophobicContact CG2-CD1 4.05Å; V62-L83 HydrophobicContact CG2-CG 4.07Å
63G86.3Confident86.9Confident55 Ų5568.8 Ų68.857%0.56739%0.389SS*.THydrogen-bonded Turntrans85.2-6.1-172.500000114.9K61 I80K61-G63 PolarHBondContact O-N 3.45Å; G63-I80 PolarHBondContact N-O 2.88Å
64A88.9Confident86.9Confident16 Ų1671 Ų7113%0.13241%0.409CS..  trans-71.8144.6175.200000112.3P59 K61 V62 V66 V79 I80P59-A64 HydrophobicContact CG-CB 4.03Å; P59-A64 WeakPolarHBondContact O-CB 3.29Å; K61-A64 WeakPolarHBondContact O-CB 3.47Å; K61-A64 PolarHBondContact O-N 3.25Å; K61-A64 VanDerWaalsContact O-N 3.08Å; V62-A64 VanDerWaalsContact C-N 3.33Å; A64-V66 HydrophobicContact CB-CG1 4.3Å; A64-V79 WeakPolarHBondContact O-CA 3.2Å; A64-I80 PolarHBondContact O-N 2.81Å
65I91.6Very high86.9Confident93 Ų9369.9 Ų69.948%0.47740%0.396SS..EExtended strand (participates in β ladder)trans-82.6131.5163.8-56172000107.6A78 V79I65-A78 WeakPolarHBondContact CA-O 3.21Å; I65-V79 HydrophobicContact CG1-CG2 4.33Å
66V93.3Very high86.9Confident5 Ų568.3 Ų68.33%0.0339%0.389CS..EExtended strand (participates in β ladder)trans-142.5155.6-178.2-640000110.7I56 K57 A64 V68 A78 I80I56-V66 HydrophobicContact CD1-CG2 4.42Å; I56-V66 HydrophobicContact CG2-CB 3.66Å; I56-V66 HydrophobicContact CG2-CG1 4.01Å; I56-V66 HydrophobicContact CG2-CG2 3.75Å; K57-V66 WeakPolarHBondContact O-CA 3.4Å; K57-V66 WeakPolarHBondContact O-CB 3.28Å; A64-V66 HydrophobicContact CB-CG1 4.3Å; V66-V68 HydrophobicContact CG2-CG2 3.98Å; V66-A78 PolarHBondContact N-O 3.46Å; V66-A78 PolarHBondContact O-N 2.87Å; V66-I80 HydrophobicContact CG1-CD1 3.79Å; V66-I80 HydrophobicContact CG1-CG1 4.18Å; V66-I80 HydrophobicContact CG2-CD1 4.12Å; V66-I80 HydrophobicContact CG2-CG1 3.74Å
67E92Very high87.1Confident86 Ų8671.2 Ų71.240%0.40240%0.402SS..EExtended strand (participates in β ladder)trans-88.6130.9169.1-54.2-175.9118.400109.8I56 K57 Y75I56-E67 WeakPolarHBondContact CA-O 3.44Å; K57-E67 HydrophobicContact CB-CB 4.25Å; K57-E67 WeakPolarHBondContact CD-OE2 3.37Å; K57-E67 PolarHBondContact N-O 2.85Å; K57-E67 IonicContact NZ-OE2 3.67Å; K57-E67 PolarHBondContact O-N 3.22Å; E67-Y75 HydrophobicContact CB-CD1 4.01Å
68V92.1Very high87.3Confident0 Ų066.6 Ų66.60%038%0.382CS..EExtended strand (participates in β ladder)trans-117.5134.1-179.4-177.70000109.9V40 F42 V51 I56 V66 N70 Y75 Q76 A78V40-V68 HydrophobicContact CB-CG2 4.38Å; V40-V68 HydrophobicContact CG1-CG2 4.05Å; V40-V68 HydrophobicContact CG2-CG1 4.44Å; V40-V68 HydrophobicContact CG2-CG2 4.16Å; F42-V68 HydrophobicContact CE1-CB 3.87Å; F42-V68 HydrophobicContact CE1-CG1 4.33Å; F42-V68 HydrophobicContact CZ-CB 4.03Å; F42-V68 HydrophobicContact CZ-CG1 3.96Å; V51-V68 HydrophobicContact CB-CG1 4.47Å; V51-V68 HydrophobicContact CG1-CG1 3.9Å; V51-V68 HydrophobicContact CG2-CG1 3.95Å; I56-V68 HydrophobicContact CD1-CG2 4.24Å; I56-V68 HydrophobicContact CG1-CG2 4.17Å; V66-V68 HydrophobicContact CG2-CG2 3.98Å; V68-N70 PolarHBondContact O-N 2.74Å; V68-Y75 WeakPolarHBondContact O-CA 3.4Å; V68-Q76 PolarHBondContact N-O 2.76Å; V68-Q76 PolarHBondContact O-N 3.05Å; V68-A78 HydrophobicContact CG2-CB 3.77Å
69K90.7Very high87.5Confident85 Ų8566.5 Ų66.537%0.3737%0.372SS..EExtended strand (participates in β ladder)trans-79.8115.8179.3-169.5-173.3174.6-169.80110.9H55 A74 Y75H55-K69 HydrophobicContact CB-CB 4.33Å; H55-K69 PolarHBondContact O-N 2.98Å; K69-A74 WeakPolarHBondContact CA-O 3.49Å; K69-Y75 HydrophobicContact CB-CD1 4.18Å; K69-Y75 HydrophobicContact CB-CE1 3.75Å; K69-Y75 HydrophobicContact CG-CE1 4.34Å; K69-Y75 HydrophobicContact CG-CE2 4.35Å
70N82.2Confident87.9Confident48 Ų4862.6 Ų62.626%0.25735%0.346SS..  trans-78169173.2-73.5-17.4000111.7F42 V68 D72 G73 A74 Q76F42-N70 WeakPolarHBondContact CZ-OD1 3.38Å; V68-N70 PolarHBondContact O-N 2.74Å; N70-D72 PolarHBondContact O-N 2.91Å; N70-G73 PolarHBondContact O-N 2.83Å; N70-A74 PolarHBondContact N-O 3.05Å; N70-Q76 PolarHBondContact ND2-OE1 2.92Å
71L76.1Confident88.1Confident184 Ų18464.2 Ų64.296%0.96336%0.355SS*.THydrogen-bonded Turntrans-58.5-34.8179.8-65.9175.8000112.5G73L71-G73 PolarHBondContact O-N 2.85Å; L71-G73 VanDerWaalsContact O-N 3.12Å
72D77.5Confident88.1Confident150 Ų15064.8 Ų64.880%0.80236%0.358SS*.THydrogen-bonded Turntrans-73.25.5175.7-46-71.8000113.6N70 A74N70-D72 PolarHBondContact O-N 2.91Å; D72-A74 PolarHBondContact O-N 2.93Å; D72-A74 VanDerWaalsContact O-N 3.17Å
73G76.4Confident88.2Confident33 Ų3362.1 Ų62.134%0.3434%0.34SS..SBendtrans78.6-12.217900000115.3N70 L71N70-G73 PolarHBondContact O-N 2.83Å; L71-G73 PolarHBondContact O-N 2.85Å; L71-G73 VanDerWaalsContact O-N 3.12Å
74A85.9Confident88.3Confident57 Ų5761.8 Ų61.847%0.47133%0.327SS..  trans-65.5150.1173.400000112.1K69 N70 D72K69-A74 WeakPolarHBondContact CA-O 3.49Å; N70-A74 PolarHBondContact N-O 3.05Å; D72-A74 PolarHBondContact O-N 2.93Å; D72-A74 VanDerWaalsContact O-N 3.17Å
75Y88.6Confident88.3Confident94 Ų9462.5 Ų62.537%0.36933%0.329SS..EExtended strand (participates in β ladder)trans-100.4137.5172.4-74.7-91.6000109.8K57 E67 V68 K69K57-Y75 HydrophobicContact CD-CD1 3.86Å; K57-Y75 HydrophobicContact CD-CE1 3.59Å; K57-Y75 VanDerWaalsContact CE-CE1 3.42Å; K57-Y75 HydrophobicContact CG-CD1 4.47Å; K57-Y75 HydrophobicContact CG-CE1 3.97Å; K57-Y75 VanDerWaalsContact NZ-CE2 3.29Å; K57-Y75 VanDerWaalsContact NZ-CZ 3.33Å; E67-Y75 HydrophobicContact CB-CD1 4.01Å; V68-Y75 WeakPolarHBondContact O-CA 3.4Å; K69-Y75 HydrophobicContact CB-CD1 4.18Å; K69-Y75 HydrophobicContact CB-CE1 3.75Å; K69-Y75 HydrophobicContact CG-CE1 4.34Å; K69-Y75 HydrophobicContact CG-CE2 4.35Å
76Q90.3Very high88Confident45 Ų4559.3 Ų59.321%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-137.4143.2-178.8-167.9-177.215.100110.6F42 D45 V68 N70 A78F42-Q76 HydrophobicContact CD1-CB 3.93Å; F42-Q76 HydrophobicContact CD1-CG 3.88Å; F42-Q76 HydrophobicContact CE1-CB 3.88Å; F42-Q76 HydrophobicContact CE1-CG 4.34Å; D45-Q76 PolarHBondContact OD2-NE2 2.86Å; V68-Q76 PolarHBondContact N-O 2.76Å; V68-Q76 PolarHBondContact O-N 3.05Å; N70-Q76 PolarHBondContact ND2-OE1 2.92Å; Q76-A78 PolarHBondContact O-N 3.15Å
77E92.8Very high87.9Confident80 Ų8059 Ų5937%0.37432%0.315SS..EExtended strand (participates in β ladder)trans-68.7129.3-179.4-70.9-165.516500112.6R43R43-E77 VanDerWaalsContact CD-OE2 3.29Å; R43-E77 WeakPolarHBondContact CD-OE2 3.24Å; R43-E77 HydrophobicContact CG-CB 4.3Å; R43-E77 IonicContact CZ-OE2 2.67Å; R43-E77 PolarHBondContact N-O 3.38Å; R43-E77 IonicContact NE-OE2 3.73Å; R43-E77 IonicContact NH1-OE2 3.79Å; R43-E77 PolarHBondContact NH1-OE2 3.35Å
78A92.9Very high87.8Confident0 Ų059.8 Ų59.80%031%0.314CS..EExtended strand (participates in β ladder)trans-138.7162174.900000111.8V40 T41 F42 I65 V66 V68 Q76V40-A78 HydrophobicContact CB-CB 3.82Å; V40-A78 HydrophobicContact CG2-CB 4.11Å; T41-A78 CarbonylContact O-C 3.57Å; T41-A78 WeakPolarHBondContact O-CA 3.13Å; T41-A78 WeakPolarHBondContact O-CB 3.26Å; F42-A78 HydrophobicContact CD1-CB 3.81Å; F42-A78 HydrophobicContact CE1-CB 4.09Å; F42-A78 HydrophobicContact CG-CB 4.25Å; I65-A78 WeakPolarHBondContact CA-O 3.21Å; V66-A78 PolarHBondContact N-O 3.46Å; V66-A78 PolarHBondContact O-N 2.87Å; V68-A78 HydrophobicContact CG2-CB 3.77Å; Q76-A78 PolarHBondContact O-N 3.15Å
79V93.2Very high87.9Confident46 Ų4659.8 Ų59.828%0.27931%0.314SS..EExtended strand (participates in β ladder)trans-108.3132.3174.6-1760000109.7V40 T41 R43 A64 I65 N81V40-V79 CarbonylContact C-O 3.59Å; V40-V79 VanDerWaalsContact CA-O 3.25Å; V40-V79 WeakPolarHBondContact CA-O 3.48Å; T41-V79 PolarHBondContact N-O 3.06Å; T41-V79 PolarHBondContact O-N 3.42Å; R43-V79 HydrophobicContact CG-CG2 4.15Å; A64-V79 WeakPolarHBondContact O-CA 3.2Å; I65-V79 HydrophobicContact CG1-CG2 4.33Å; V79-N81 PolarHBondContact O-N 3.32Å
80I92.9Very high88.1Confident2 Ų256.9 Ų56.91%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-72.9115.4176.3-60.7-179.7000110V38 V40 L60 V62 G63 A64 V66 L83V38-I80 HydrophobicContact CG1-CB 4.31Å; V38-I80 HydrophobicContact CG1-CD1 3.93Å; V38-I80 HydrophobicContact CG1-CG1 3.83Å; V38-I80 HydrophobicContact CG1-CG2 3.69Å; V40-I80 HydrophobicContact CG1-CG1 4.29Å; L60-I80 HydrophobicContact CD2-CD1 4.48Å; V62-I80 HydrophobicContact CG2-CG2 4.32Å; G63-I80 PolarHBondContact N-O 2.88Å; A64-I80 PolarHBondContact O-N 2.81Å; V66-I80 HydrophobicContact CG1-CD1 3.79Å; V66-I80 HydrophobicContact CG1-CG1 4.18Å; V66-I80 HydrophobicContact CG2-CD1 4.12Å; V66-I80 HydrophobicContact CG2-CG1 3.74Å; I80-L83 HydrophobicContact CG2-CD2 4.14Å; I80-L83 HydrophobicContact CG2-CG 3.99Å
81N90.8Very high88.7Confident74 Ų7454.6 Ų54.640%0.39629%0.291SS..EExtended strand (participates in β ladder)trans-88.6-36.8174.6-49.2-77.3000112.6K39 V40 T41 V62 V79K39-N81 WeakPolarHBondContact O-CB 3.36Å; K39-N81 PolarHBondContact O-N 3.21Å; K39-N81 PolarHBondContact O-ND2 2.89Å; V40-N81 PolarHBondContact O-ND2 2.86Å; T41-N81 PolarHBondContact N-ND2 2.63Å; T41-N81 VanDerWaalsContact N-ND2 3.18Å; T41-N81 PolarHBondContact OG1-ND2 3.17Å; T41-N81 PolarHBondContact OG1-OD1 2.96Å; T41-N81 VanDerWaalsContact OG1-OD1 3.05Å; V62-N81 WeakPolarHBondContact CG1-O 3.31Å; V79-N81 PolarHBondContact O-N 3.32Å
82K88.3Confident89.5Confident114 Ų11447.8 Ų47.850%0.49626%0.257SS..EExtended strand (participates in β ladder)trans-150.8133.1-176.8-169.2-171.2-179.2-142.10110.6K39 T84K39-K82 HydrophobicContact CB-CB 4.27Å; K39-K82 PolarHBondContact N-O 3.29Å; K39-K82 PolarHBondContact O-N 2.72Å; K82-T84 VanDerWaalsContact CE-OG1 3.28Å; K82-T84 WeakPolarHBondContact CE-OG1 3.36Å; K82-T84 PolarHBondContact NZ-OG1 3.18Å
83L88.9Confident90.2Very high37 Ų3740.9 Ų40.919%0.19422%0.22CC..EExtended strand (participates in β ladder)trans-97.4137.6161.9-64.8161.5000107.9P8 V36 V38 L60 V62 I80P8-L83 HydrophobicContact CB-CD1 4.35Å; V36-L83 HydrophobicContact CG1-CD2 4.06Å; V38-L83 HydrophobicContact CB-CD2 4.33Å; V38-L83 HydrophobicContact CG1-CD2 3.81Å; V38-L83 HydrophobicContact CG2-CD2 3.81Å; L60-L83 HydrophobicContact CB-CD2 4.32Å; L60-L83 HydrophobicContact CD2-CD2 4.45Å; L60-L83 VanDerWaalsContact O-CD1 3.3Å; L60-L83 WeakPolarHBondContact O-CD1 3.14Å; V62-L83 HydrophobicContact CG2-CB 4.41Å; V62-L83 HydrophobicContact CG2-CD1 4.05Å; V62-L83 HydrophobicContact CG2-CG 4.07Å; I80-L83 HydrophobicContact CG2-CD2 4.14Å; I80-L83 HydrophobicContact CG2-CG 3.99Å
84T88.6Confident90.6Very high48 Ų4845.6 Ų45.629%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-133.5109.4173.6-52.20000107.8K37 K82 A86K37-T84 PolarHBondContact N-O 3.04Å; K37-T84 PolarHBondContact O-N 3.08Å; K82-T84 VanDerWaalsContact CE-OG1 3.28Å; K82-T84 WeakPolarHBondContact CE-OG1 3.36Å; K82-T84 PolarHBondContact NZ-OG1 3.18Å; T84-A86 PolarHBondContact O-N 3.22Å
85D88.9Confident90.6Very high31 Ų3147.2 Ų47.217%0.16624%0.238CC..EExtended strand (participates in β ladder)trans-68.1116.7173.9-176.217000109.9P8 S87 Y89 R103P8-D85 WeakPolarHBondContact O-CB 3.26Å; D85-S87 WeakPolarHBondContact OD1-CB 3.25Å; D85-S87 PolarHBondContact OD1-N 3.05Å; D85-S87 PolarHBondContact OD1-OG 3.18Å; D85-Y89 PolarHBondContact OD1-OH 3.15Å; D85-Y89 PolarHBondContact OD2-OH 2.84Å; D85-R103 HydrophobicContact CB-CB 4.18Å; D85-R103 HydrophobicContact CB-CG 3.98Å; D85-R103 VanDerWaalsContact OD2-CB 3.31Å; D85-R103 WeakPolarHBondContact OD2-CB 3.5Å; D85-R103 VanDerWaalsContact OD2-CD 3.31Å; D85-R103 WeakPolarHBondContact OD2-CD 3.48Å; D85-R103 WeakPolarHBondContact OD2-CG 3.39Å
86A86.1Confident90.4Very high26 Ų2645 Ų4522%0.21524%0.244CC..  trans-115.316.1174.500000111.4L35 K37 T84L35-A86 HydrophobicContact CD2-CB 4.25Å; L35-A86 HydrophobicContact CG-CB 4.31Å; L35-A86 CarbonylContact O-C 3.48Å; L35-A86 VanDerWaalsContact O-C 3.22Å; L35-A86 VanDerWaalsContact O-CA 3.29Å; L35-A86 WeakPolarHBondContact O-CA 3.29Å; L35-A86 WeakPolarHBondContact O-CB 3.42Å; L35-A86 PolarHBondContact O-N 2.78Å; K37-A86 HydrophobicContact CG-CB 4.12Å; T84-A86 PolarHBondContact O-N 3.22Å
87S90.3Very high90.3Very high0 Ų045 Ų450%025%0.246CC..  trans-64.3155179.8-51.60000112K33 R34 L35 D85 Y89 R103K33-S87 WeakPolarHBondContact O-CA 3.32Å; K33-S87 WeakPolarHBondContact O-CB 3.24Å; R34-S87 WeakPolarHBondContact CA-OG 3.01Å; L35-S87 PolarHBondContact N-OG 3.48Å; L35-S87 PolarHBondContact O-N 2.82Å; L35-S87 VanDerWaalsContact O-N 3.14Å; D85-S87 WeakPolarHBondContact OD1-CB 3.25Å; D85-S87 PolarHBondContact OD1-N 3.05Å; D85-S87 PolarHBondContact OD1-OG 3.18Å; S87-Y89 WeakPolarHBondContact CB-OH 3.31Å; S87-R103 PolarHBondContact O-N 2.99Å
88W91.1Very high90.3Very high101 Ų10146 Ų4638%0.38325%0.25SS..EExtended strand (participates in β ladder)trans-108.1137.3171.6-63.881.3000110K33 T100 L101 R102K33-W88 HydrophobicContact CB-CB 4.42Å; K33-W88 PolarHBondContact N-O 3.33Å; K33-W88 PolarHBondContact O-N 3.49Å; K33-W88 VanDerWaalsContact O-N 3.07Å; W88-T100 HydrophobicContact CB-CG2 4.08Å; W88-T100 HydrophobicContact CE3-CG2 4.1Å; W88-L101 CarbonylContact C-O 3.48Å; W88-L101 WeakPolarHBondContact CA-O 3.49Å; W88-R102 HydrophobicContact CD2-CG 3.89Å; W88-R102 HydrophobicContact CE3-CG 3.72Å; W88-R102 HydrophobicContact CH2-CG 4.16Å; W88-R102 VanDerWaalsContact CH2-NE 3.35Å; W88-R102 HydrophobicContact CZ2-CG 4.26Å; W88-R102 VanDerWaalsContact CZ2-NH2 3.35Å; W88-R102 HydrophobicContact CZ3-CG 3.86Å
89Y93.9Very high90.2Very high0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-125.5121.3-174.9-59.5-74.6000109.3Y9 L10 I29 T31 A32 D85 S87 T100 L101 R103 L106Y9-Y89 WeakPolarHBondContact CA-OH 3.34Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.36Å; L10-Y89 HydrophobicContact CB-CD1 4.49Å; L10-Y89 HydrophobicContact CB-CE1 3.8Å; L10-Y89 PolarHBondContact N-OH 3.05Å; L10-Y89 WeakPolarHBondContact O-CE1 3.36Å; I29-Y89 HydrophobicContact CD1-CD1 3.88Å; I29-Y89 HydrophobicContact CD1-CE1 4.36Å; I29-Y89 HydrophobicContact CD1-CG 4.25Å; I29-Y89 HydrophobicContact CG2-CD1 3.98Å; T31-Y89 WeakPolarHBondContact O-CA 3.23Å; A32-Y89 HydrophobicContact CB-CD1 3.66Å; A32-Y89 HydrophobicContact CB-CE1 3.75Å; D85-Y89 PolarHBondContact OD1-OH 3.15Å; D85-Y89 PolarHBondContact OD2-OH 2.84Å; S87-Y89 WeakPolarHBondContact CB-OH 3.31Å; Y89-T100 CarbonylContact O-C 3.51Å; Y89-T100 WeakPolarHBondContact O-CA 3.37Å; Y89-L101 PolarHBondContact N-O 3.36Å; Y89-L101 PolarHBondContact O-N 2.92Å; Y89-R103 HydrophobicContact CE2-CB 4.05Å; Y89-L106 HydrophobicContact CD2-CD1 3.64Å; Y89-L106 HydrophobicContact CE2-CD1 4.46Å; Y89-L106 HydrophobicContact CG-CD1 3.89Å
90T93.8Very high90.2Very high24 Ų2451.1 Ų51.115%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-84.2114.4165.1-51.80000107.8K30 T31 E98 K99 T100K30-T90 PolarHBondContact N-O 3.23Å; T31-T90 PolarHBondContact N-O 3.21Å; T31-T90 VanDerWaalsContact N-O 3.15Å; T31-T90 PolarHBondContact O-N 2.77Å; T31-T90 VanDerWaalsContact OG1-CB 3.31Å; T31-T90 WeakPolarHBondContact OG1-CB 3.46Å; T31-T90 PolarHBondContact OG1-OG1 2.96Å; T90-E98 HydrophobicContact CG2-CB 4.35Å; T90-K99 WeakPolarHBondContact CA-O 3.33Å; T90-T100 PolarHBondContact OG1-OG1 3.05Å
91V94.6Very high90.2Very high0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-101.9148.3175-59.70000110.3V16 A27 K28 I29 F93 E98 K99 L101 L106V16-V91 HydrophobicContact CG2-CG1 3.84Å; A27-V91 HydrophobicContact CB-CB 3.87Å; A27-V91 HydrophobicContact CB-CG2 3.99Å; K28-V91 WeakPolarHBondContact O-CA 3.28Å; I29-V91 HydrophobicContact CG1-CG1 3.97Å; V91-F93 HydrophobicContact CG2-CE2 3.98Å; V91-F93 HydrophobicContact CG2-CZ 3.97Å; V91-E98 WeakPolarHBondContact O-CA 3.31Å; V91-K99 WeakPolarHBondContact CG2-O 3.5Å; V91-K99 PolarHBondContact N-O 2.99Å; V91-K99 PolarHBondContact O-N 3.41Å; V91-L101 HydrophobicContact CG2-CD1 4.03Å; V91-L106 HydrophobicContact CG1-CD1 4.33Å; V91-L106 HydrophobicContact CG1-CD2 4Å
92V94.3Very high90.1Very high42 Ų4254.8 Ų54.826%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-105.3125.2168.5179.20000107.1A27 K28 K30 E98A27-V92 CarbonylContact C-O 3.52Å; A27-V92 WeakPolarHBondContact CA-O 3.24Å; A27-V92 WeakPolarHBondContact CB-O 3.28Å; K28-V92 PolarHBondContact N-O 3.04Å; K28-V92 PolarHBondContact O-N 3.05Å; K30-V92 HydrophobicContact CB-CG2 3.74Å; K30-V92 HydrophobicContact CD-CG2 3.64Å; K30-V92 HydrophobicContact CG-CG2 4.21Å; V92-E98 HydrophobicContact CG2-CG 3.99Å
93F92.3Very high90.1Very high5 Ų551.1 Ų51.12%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-82.6163.6173.2-69.1-77.9000111.2A18 Y20 C25 E26 A27 V91 D95 G96 D97 K99A18-F93 HydrophobicContact CB-CE1 3.93Å; A18-F93 HydrophobicContact CB-CZ 3.94Å; Y20-F93 HydrophobicContact CD1-CD1 4.25Å; Y20-F93 AromaticContact CD1-CD2 3.82Å; Y20-F93 HydrophobicContact CD1-CD2 3.82Å; Y20-F93 HydrophobicContact CD1-CE1 4.46Å; Y20-F93 HydrophobicContact CD1-CE2 4.05Å; Y20-F93 AromaticContact CD1-CG 3.95Å; Y20-F93 HydrophobicContact CD1-CG 3.95Å; Y20-F93 HydrophobicContact CD1-CZ 4.38Å; Y20-F93 HydrophobicContact CD2-CD2 4.31Å; Y20-F93 AromaticContact CD2-CE2 3.78Å; Y20-F93 HydrophobicContact CD2-CE2 3.78Å; Y20-F93 HydrophobicContact CD2-CZ 4.11Å; Y20-F93 HydrophobicContact CE1-CD2 4.04Å; Y20-F93 HydrophobicContact CE1-CE2 4.46Å; Y20-F93 HydrophobicContact CE1-CG 4.4Å; Y20-F93 HydrophobicContact CE2-CE2 4.3Å; Y20-F93 HydrophobicContact CG-CD1 4.37Å; Y20-F93 AromaticContact CG-CD2 3.98Å; Y20-F93 HydrophobicContact CG-CD2 3.98Å; Y20-F93 HydrophobicContact CG-CE1 4.12Å; Y20-F93 AromaticContact CG-CE2 3.7Å; Y20-F93 HydrophobicContact CG-CE2 3.7Å; Y20-F93 HydrophobicContact CG-CG 4.32Å; Y20-F93 AromaticContact CG-CZ 3.79Å; Y20-F93 HydrophobicContact CG-CZ 3.79Å; C25-F93 HydrophobicContact CB-CD1 3.66Å; C25-F93 HydrophobicContact CB-CE1 3.98Å; E26-F93 WeakPolarHBondContact O-CD1 3.49Å; A27-F93 HydrophobicContact CB-CD1 3.65Å; A27-F93 HydrophobicContact CB-CE1 3.82Å; A27-F93 HydrophobicContact CB-CG 4.22Å; V91-F93 HydrophobicContact CG2-CE2 3.98Å; V91-F93 HydrophobicContact CG2-CZ 3.97Å; F93-D95 VanDerWaalsContact CB-OD1 3.24Å; F93-D95 WeakPolarHBondContact CB-OD1 3.42Å; F93-D95 PolarHBondContact O-N 3.21Å; F93-D95 VanDerWaalsContact O-N 3.17Å; F93-G96 PolarHBondContact O-N 3.49Å; F93-D97 WeakPolarHBondContact CD2-O 3.16Å; F93-D97 PolarHBondContact N-O 3.05Å; F93-K99 HydrophobicContact CE2-CB 3.8Å; F93-K99 HydrophobicContact CE2-CD 4.2Å
94D84.3Confident89.9Confident131 Ų13154.5 Ų54.570%0.70129%0.294SS*.THydrogen-bonded Turntrans-63.6-19-179.7-57.2-42.5000113.9G96D94-G96 VanDerWaalsContact C-N 3.26Å
95D85.4Confident89.8Confident91 Ų9155.1 Ų55.149%0.48730%0.3SS..THydrogen-bonded Turntrans-83.62.817266.2-1.5000113.7R21 F93 D97R21-D95 IonicContact NH1-OD2 2.84Å; R21-D95 PolarHBondContact NH1-OD2 2.81Å; F93-D95 VanDerWaalsContact CB-OD1 3.24Å; F93-D95 WeakPolarHBondContact CB-OD1 3.42Å; F93-D95 PolarHBondContact O-N 3.21Å; F93-D95 VanDerWaalsContact O-N 3.17Å; D95-D97 VanDerWaalsContact C-N 3.31Å; D95-D97 PolarHBondContact O-N 2.9Å; D95-D97 WeakPolarHBondContact OD1-CB 3.27Å; D95-D97 PolarHBondContact OD1-N 3.11Å; D95-D97 VanDerWaalsContact OD1-N 3.17Å
96G84.4Confident89.7Confident48 Ų4853.9 Ų53.950%0.49529%0.293SS..SBendtrans82.8-3.3179.800000114.8F93 D94F93-G96 PolarHBondContact O-N 3.49Å; D94-G96 VanDerWaalsContact C-N 3.26Å
97D88.4Confident89.8Confident46 Ų4654 Ų5425%0.24629%0.292CS..  trans-70.7139.3176.3-83.7-40000111.4Y20 R21 F93 D95Y20-D97 HydrophobicContact CE1-CB 3.86Å; Y20-D97 WeakPolarHBondContact OH-CB 3.42Å; Y20-D97 PolarHBondContact OH-OD2 2.77Å; R21-D97 IonicContact CZ-OD2 3.25Å; R21-D97 IonicContact NH1-OD2 2.72Å; R21-D97 PolarHBondContact NH1-OD2 2.8Å; R21-D97 IonicContact NH2-OD2 3.97Å; R21-D97 PolarHBondContact NH2-OD2 2.98Å; F93-D97 WeakPolarHBondContact CD2-O 3.16Å; F93-D97 PolarHBondContact N-O 3.05Å; D95-D97 VanDerWaalsContact C-N 3.31Å; D95-D97 PolarHBondContact O-N 2.9Å; D95-D97 WeakPolarHBondContact OD1-CB 3.27Å; D95-D97 PolarHBondContact OD1-N 3.11Å; D95-D97 VanDerWaalsContact OD1-N 3.17Å
98E92.9Very high89.6Confident101 Ų10156.2 Ų56.247%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-106.2136.6178-52.9-156.9178.500111.7K30 T90 V91 V92K30-E98 WeakPolarHBondContact CD-OE1 3.32Å; K30-E98 WeakPolarHBondContact CD-OE2 3.48Å; K30-E98 IonicContact NZ-OE1 3.35Å; K30-E98 PolarHBondContact NZ-OE1 2.84Å; K30-E98 IonicContact NZ-OE2 3.52Å; K30-E98 PolarHBondContact NZ-OE2 2.97Å; T90-E98 HydrophobicContact CG2-CB 4.35Å; V91-E98 WeakPolarHBondContact O-CA 3.31Å; V92-E98 HydrophobicContact CG2-CG 3.99Å
99K91.3Very high89.1Confident78 Ų7856.3 Ų56.334%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-145.5131.5-179.3-164.7176.3-178.8-175.70112.4Y20 T90 V91 F93 L101Y20-K99 HydrophobicContact CD2-CD 4.02Å; Y20-K99 HydrophobicContact CE2-CD 4.18Å; T90-K99 WeakPolarHBondContact CA-O 3.33Å; V91-K99 WeakPolarHBondContact CG2-O 3.5Å; V91-K99 PolarHBondContact N-O 2.99Å; V91-K99 PolarHBondContact O-N 3.41Å; F93-K99 HydrophobicContact CE2-CB 3.8Å; F93-K99 HydrophobicContact CE2-CD 4.2Å; K99-L101 HydrophobicContact CD-CD1 4.47Å; K99-L101 HydrophobicContact CD-CD2 3.96Å; K99-L101 HydrophobicContact CD-CG 4.28Å; K99-L101 HydrophobicContact CG-CD2 4.14Å; K99-L101 HydrophobicContact CG-CG 4.16Å
100T93.6Very high87.9Confident74 Ų7460 Ų6045%0.45435%0.345SS..EExtended strand (participates in β ladder)trans-87.7124.4172.9-51.90000110.5W88 Y89 T90W88-T100 HydrophobicContact CB-CG2 4.08Å; W88-T100 HydrophobicContact CE3-CG2 4.1Å; Y89-T100 CarbonylContact O-C 3.51Å; Y89-T100 WeakPolarHBondContact O-CA 3.37Å; T90-T100 PolarHBondContact OG1-OG1 3.05Å
101L91.4Very high86.7Confident18 Ų1863.5 Ų63.59%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-132.5158.9-174-67.6176.4000111A18 W88 Y89 V91 K99 L106A18-L101 HydrophobicContact CB-CD1 3.64Å; W88-L101 CarbonylContact C-O 3.48Å; W88-L101 WeakPolarHBondContact CA-O 3.49Å; Y89-L101 PolarHBondContact N-O 3.36Å; Y89-L101 PolarHBondContact O-N 2.92Å; V91-L101 HydrophobicContact CG2-CD1 4.03Å; K99-L101 HydrophobicContact CD-CD1 4.47Å; K99-L101 HydrophobicContact CD-CD2 3.96Å; K99-L101 HydrophobicContact CD-CG 4.28Å; K99-L101 HydrophobicContact CG-CD2 4.14Å; K99-L101 HydrophobicContact CG-CG 4.16Å; L101-L106 HydrophobicContact CB-CD2 4.12Å; L101-L106 HydrophobicContact CD1-CD2 3.7Å
102R90.1Very high85.2Confident136 Ų13671.2 Ų71.251%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-89.1159170.7-64.5-173.9-177.9-175.94.5110.6W88 S104 S105W88-R102 HydrophobicContact CD2-CG 3.89Å; W88-R102 HydrophobicContact CE3-CG 3.72Å; W88-R102 HydrophobicContact CH2-CG 4.16Å; W88-R102 VanDerWaalsContact CH2-NE 3.35Å; W88-R102 HydrophobicContact CZ2-CG 4.26Å; W88-R102 VanDerWaalsContact CZ2-NH2 3.35Å; W88-R102 HydrophobicContact CZ3-CG 3.86Å; R102-S104 PolarHBondContact O-N 3.4Å; R102-S105 PolarHBondContact O-N 3.34Å
103R87.9Confident83.5Confident37 Ų3771.8 Ų71.814%0.1439%0.389CS..G310 helixtrans-45.4-40.6175.2179.464.3-167.592.9-6.3113.8E6 D85 S87 Y89 S105 L106E6-R103 IonicContact OE1-CZ 3.79Å; E6-R103 IonicContact OE1-NE 3.97Å; E6-R103 PolarHBondContact OE1-NE 2.83Å; E6-R103 IonicContact OE1-NH2 2.67Å; E6-R103 PolarHBondContact OE1-NH2 3.32Å; D85-R103 HydrophobicContact CB-CB 4.18Å; D85-R103 HydrophobicContact CB-CG 3.98Å; D85-R103 VanDerWaalsContact OD2-CB 3.31Å; D85-R103 WeakPolarHBondContact OD2-CB 3.5Å; D85-R103 VanDerWaalsContact OD2-CD 3.31Å; D85-R103 WeakPolarHBondContact OD2-CD 3.48Å; D85-R103 WeakPolarHBondContact OD2-CG 3.39Å; S87-R103 PolarHBondContact O-N 2.99Å; Y89-R103 HydrophobicContact CE2-CB 4.05Å; R103-S105 PolarHBondContact O-N 3.5Å; R103-L106 PolarHBondContact NH1-O 3.31Å; R103-L106 PolarHBondContact O-N 2.91Å
104S84.2Confident81.6Confident108 Ų10878.2 Ų78.276%0.75542%0.417SS*.G310 helixtrans-66.5-9.4-179.656.90000115.2R102R102-S104 PolarHBondContact O-N 3.4Å
105S86.8Confident80.1Confident60 Ų6074.4 Ų74.442%0.4240%0.404SS..G310 helixtrans-110.77.5178.8-55.80000112.7R102 R103R102-S105 PolarHBondContact O-N 3.34Å; R103-S105 PolarHBondContact O-N 3.5Å
106L87.4Confident78.3Confident5 Ų574.6 Ų74.63%0.02640%0.402CS..EExtended strand (participates in β ladder)trans-119146.2175.9-55.5-177.9000110L10 V16 S17 A18 I29 Y89 V91 L101 R103L10-L106 HydrophobicContact CD1-CD1 4.13Å; V16-L106 HydrophobicContact CB-CB 4.45Å; V16-L106 HydrophobicContact CG1-CD1 4.46Å; V16-L106 HydrophobicContact CG2-CD1 4.44Å; V16-L106 HydrophobicContact CG2-CD2 4.19Å; S17-L106 WeakPolarHBondContact O-CA 3.15Å; A18-L106 HydrophobicContact CB-CD2 3.73Å; I29-L106 HydrophobicContact CD1-CD1 4.37Å; Y89-L106 HydrophobicContact CD2-CD1 3.64Å; Y89-L106 HydrophobicContact CE2-CD1 4.46Å; Y89-L106 HydrophobicContact CG-CD1 3.89Å; V91-L106 HydrophobicContact CG1-CD1 4.33Å; V91-L106 HydrophobicContact CG1-CD2 4Å; L101-L106 HydrophobicContact CB-CD2 4.12Å; L101-L106 HydrophobicContact CD1-CD2 3.7Å; R103-L106 PolarHBondContact NH1-O 3.31Å; R103-L106 PolarHBondContact O-N 2.91Å
107C86.9Confident76.7Confident28 Ų2877.6 Ų77.619%0.18942%0.415CS..EExtended strand (participates in β ladder)trans-119158.5160.3-67.20000108.7V16 S17 E111 H113V16-C107 CarbonylContact C-O 3.49Å; V16-C107 WeakPolarHBondContact CA-O 3.41Å; V16-C107 WeakPolarHBondContact CB-O 3.31Å; S17-C107 PolarHBondContact N-O 3.45Å; S17-C107 PolarHBondContact O-N 3.02Å; C107-E111 HydrophobicContact CB-CB 4.32Å; C107-H113 PolarHBondContact SG-ND1 2.96Å
108L87.4Confident74.9Confident48 Ų4882.5 Ų82.525%0.25144%0.436SS..EExtended strand (participates in β ladder)trans-70.3144.7171.2-66.5168.5000109.4L10 T14 G110 E111L10-L108 HydrophobicContact CD2-CD2 3.84Å; T14-L108 HydrophobicContact CG2-CD2 3.84Å; L108-G110 PolarHBondContact O-N 3.47Å; L108-G110 VanDerWaalsContact O-N 3.11Å; L108-E111 HydrophobicContact CB-CG 4.03Å; L108-E111 WeakPolarHBondContact CB-OE2 3.39Å; L108-E111 PolarHBondContact N-OE2 2.93Å; L108-E111 WeakPolarHBondContact O-CB 3.42Å; L108-E111 PolarHBondContact O-N 2.9Å
109K80.9Confident73Confident102 Ų10280.5 Ų80.544%0.44343%0.431SS..THydrogen-bonded Turntrans-57.4119.3179.6175.8167.7172.2156.90110.6D15 E26D15-K109 HydrophobicContact CB-CB 3.75Å; D15-K109 HydrophobicContact CB-CD 3.7Å; D15-K109 HydrophobicContact CB-CG 4.36Å; D15-K109 PolarHBondContact O-N 2.96Å; D15-K109 VanDerWaalsContact O-N 3.1Å; E26-K109 VanDerWaalsContact CD-CE 3.43Å; E26-K109 VanDerWaalsContact CD-NZ 3.35Å; E26-K109 WeakPolarHBondContact OE1-CE 3.38Å; E26-K109 IonicContact OE1-NZ 2.74Å; E26-K109 WeakPolarHBondContact OE2-CE 3.33Å; E26-K109 IonicContact OE2-NZ 3.33Å; E26-K109 PolarHBondContact OE2-NZ 3.11Å
110G66.8Low71.3Confident78 Ų7883.3 Ų83.380%0.80445%0.449SS*.THydrogen-bonded Turntrans100.2-9.7-17500000115.4L108L108-G110 PolarHBondContact O-N 3.47Å; L108-G110 VanDerWaalsContact O-N 3.11Å
111E69.9Low69.5Low97 Ų9786.2 Ų86.245%0.45346%0.462SS..SBendtrans-79.1142.7168.6-66.4-174.3135.800111.3C107 L108C107-E111 HydrophobicContact CB-CB 4.32Å; L108-E111 HydrophobicContact CB-CG 4.03Å; L108-E111 WeakPolarHBondContact CB-OE2 3.39Å; L108-E111 PolarHBondContact N-OE2 2.93Å; L108-E111 WeakPolarHBondContact O-CB 3.42Å; L108-E111 PolarHBondContact O-N 2.9Å
112R63.3Low67.7Low163 Ų16391.8 Ų91.862%0.61549%0.488SS*.  trans-75.4132.7173.9-75.6-179.7-78.4179-1.9109.9F114 E116R112-F114 PolarHBondContact O-N 3.27Å; R112-E116 IonicContact CZ-OE1 2.71Å; R112-E116 VanDerWaalsContact CZ-OE1 3.25Å; R112-E116 IonicContact CZ-OE2 3.13Å; R112-E116 IonicContact NH1-OE1 2.74Å; R112-E116 PolarHBondContact NH1-OE1 2.7Å; R112-E116 IonicContact NH1-OE2 2.59Å; R112-E116 IonicContact NH2-OE1 2.92Å; R112-E116 PolarHBondContact NH2-OE1 2.91Å; R112-E116 IonicContact NH2-OE2 2.77Å; R112-E116 PolarHBondContact NH2-OE2 2.87Å
113H57.8Low66Low53 Ų5390.7 Ų90.725%0.24549%0.491CS..SBendtrans-65.9-4177.2-74.4-67.5000115.3S17 F24 C107S17-H113 WeakPolarHBondContact CB-NE2 3.48Å; S17-H113 PolarHBondContact OG-CE1 2.77Å; S17-H113 PolarHBondContact OG-NE2 3.01Å; F24-H113 HydrophobicContact CD1-CB 4.49Å; F24-H113 AromaticContact CD1-CD2 3.37Å; F24-H113 WeakPolarHBondContact CD1-CD2 3.47Å; F24-H113 AromaticContact CD1-CE1 3.43Å; F24-H113 VanDerWaalsContact CD1-CE1 3.43Å; F24-H113 WeakPolarHBondContact CD1-CE1 3.19Å; F24-H113 AromaticContact CD1-CG 3.61Å; F24-H113 AromaticContact CD1-ND1 3.64Å; F24-H113 AromaticContact CD1-NE2 3.26Å; F24-H113 VanDerWaalsContact CD1-NE2 3.26Å; F24-H113 WeakPolarHBondContact CD1-NE2 3.29Å; F24-H113 HydrophobicContact CD2-CB 4.5Å; F24-H113 AromaticContact CD2-CD2 3.79Å; F24-H113 HydrophobicContact CE1-CB 4.03Å; F24-H113 AromaticContact CE1-CD2 3.79Å; F24-H113 AromaticContact CE1-CE1 3.76Å; F24-H113 AromaticContact CE1-CG 3.51Å; F24-H113 AromaticContact CE1-ND1 3.49Å; F24-H113 WeakPolarHBondContact CE1-ND1 3.44Å; F24-H113 AromaticContact CE1-NE2 3.95Å; F24-H113 HydrophobicContact CE2-CB 4.04Å; F24-H113 AromaticContact CG-CD2 3.36Å; F24-H113 WeakPolarHBondContact CG-CD2 3.48Å; F24-H113 AromaticContact CG-CG 3.95Å; F24-H113 AromaticContact CG-NE2 3.53Å; F24-H113 HydrophobicContact CZ-CB 3.78Å; F24-H113 AromaticContact CZ-CG 3.77Å; C107-H113 PolarHBondContact SG-ND1 2.96Å
114F53.5Low64Low141 Ų14194.1 Ų94.162%0.61852%0.518SS*.SBendtrans-131.1145.8180-60.4-80.7000110F24 R112F24-F114 HydrophobicContact CE2-CE2 4.24Å; F24-F114 HydrophobicContact CE2-CZ 4.38Å; R112-F114 PolarHBondContact O-N 3.27Å
115A52.4Low62.7Low51 Ų5196.8 Ų96.842%0.42152%0.523SS..  trans-71.5132.2173.700000110.2S117 E118A115-S117 PolarHBondContact O-N 3.25Å; A115-E118 HydrophobicContact CB-CG 4.43Å; A115-E118 PolarHBondContact O-N 3.19Å
116E47.7Very low61Low95 Ų9599.1 Ų99.144%0.44454%0.535SS..THydrogen-bonded Turntrans-61.8-13.5179.8-176.8156.7-124.500113.7R112 E118 T119 Q122R112-E116 IonicContact CZ-OE1 2.71Å; R112-E116 VanDerWaalsContact CZ-OE1 3.25Å; R112-E116 IonicContact CZ-OE2 3.13Å; R112-E116 IonicContact NH1-OE1 2.74Å; R112-E116 PolarHBondContact NH1-OE1 2.7Å; R112-E116 IonicContact NH1-OE2 2.59Å; R112-E116 IonicContact NH2-OE1 2.92Å; R112-E116 PolarHBondContact NH2-OE1 2.91Å; R112-E116 IonicContact NH2-OE2 2.77Å; R112-E116 PolarHBondContact NH2-OE2 2.87Å; E116-E118 VanDerWaalsContact C-N 3.31Å; E116-T119 PolarHBondContact O-OG1 3.38Å; E116-T119 VanDerWaalsContact O-OG1 3.09Å; E116-Q122 PolarHBondContact OE1-NE2 3.48Å
117S49.8Very low59.1Low110 Ų110104.8 Ų104.877%0.76957%0.565SS**THydrogen-bonded Turntrans-77.2-8.417153.50000115A115A115-S117 PolarHBondContact O-N 3.25Å
118E50.8Low57.4Low149 Ų149109.2 Ų109.270%0.69659%0.594SS**THydrogen-bonded Turntrans-106.9-14.8-178.2-61.5-174.4142.900113.1A115 E116 L120A115-E118 HydrophobicContact CB-CG 4.43Å; A115-E118 PolarHBondContact O-N 3.19Å; E116-E118 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 3.49Å
119T52.4Low55.8Low59 Ų59115.8 Ų115.836%0.36262%0.623SS.*  trans-75.4116.8173.545.20000110.9E116 D121E116-T119 PolarHBondContact O-OG1 3.38Å; E116-T119 VanDerWaalsContact O-OG1 3.09Å; T119-D121 PolarHBondContact O-N 2.84Å
120L55.6Low54.2Low138 Ų138118.4 Ų118.472%0.72364%0.637SS**G310 helixtrans-69.7-12.1-174.2-153.1136.4000113.2E118 Q122 L123E118-L120 PolarHBondContact O-N 3.49Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 3.4Å; L120-L123 HydrophobicContact CD2-CD1 3.88Å; L120-L123 HydrophobicContact CG-CD1 4.02Å; L120-L123 PolarHBondContact O-N 2.98Å
121D57.6Low53.4Low135 Ų135124.3 Ų124.372%0.72264%0.641SS**G310 helixtrans-69.4-11.6-171.9-48.6-65.4000115.2T119 L123T119-D121 PolarHBondContact O-N 2.84Å; D121-L123 VanDerWaalsContact C-N 3.34Å
122Q53.3Low52.4Low135 Ų135122.7 Ų122.763%0.63165%0.65SS**G310 helixtrans-895.1176.6-61.5-162.713.300113.9E116 L120E116-Q122 PolarHBondContact OE1-NE2 3.48Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 3.4Å
123L54.8Low51.7Low113 Ų113120.3 Ų120.359%0.59265%0.654SS**SBendtrans-74.6130.7167.2-78.3161.3000110.1L120 D121 L125L120-L123 HydrophobicContact CD2-CD1 3.88Å; L120-L123 HydrophobicContact CG-CD1 4.02Å; L120-L123 PolarHBondContact O-N 2.98Å; D121-L123 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 2.84Å
124P45.7Very low51.1Low108 Ų108123.3 Ų123.370%0.70168%0.678SS**  trans-68.8100.8-178.127.2-33.9000110.9T126P124-T126 PolarHBondContact O-N 3.28Å
125L56.8Low50.6Low165 Ų165123 Ų12386%0.86469%0.688SS**  trans-70.134.6-179.5-88.8157.5000114.2L123L123-L125 PolarHBondContact O-N 2.84Å
126T51.3Low50.4Low109 Ų109128.2 Ų128.267%0.66971%0.707SS**  trans-138.970.7-173.458.80000111.8P124P124-T126 PolarHBondContact O-N 3.28Å
127N45.8Very low50.1Low123 Ų123126.8 Ų126.866%0.65872%0.717SS**  trans177.8105.4144.2-92.6-18.3000111.6E129N127-E129 VanDerWaalsContact C-N 3.34Å; N127-E129 PolarHBondContact O-N 2.66Å
128P51.3Low49.7Very low121 Ų121131.4 Ų131.479%0.78672%0.723SS**G310 helixtrans-64.7-28.4180-25.235.8000115.5H130P128-H130 VanDerWaalsContact C-N 3.33Å; P128-H130 PolarHBondContact O-N 3.09Å
129E55.1Low49.8Very low186 Ų186133.5 Ų133.587%0.86973%0.73SS**G310 helixtrans-78.2-10-167.9-60.7-161.8127.300115.1N127 F131N127-E129 VanDerWaalsContact C-N 3.34Å; N127-E129 PolarHBondContact O-N 2.66Å; E129-F131 VanDerWaalsContact C-N 3.3Å; E129-F131 PolarHBondContact O-N 3.12Å
130H46.9Very low49.2Very low157 Ų157137.4 Ų137.473%0.72776%0.755SS**G310 helixtrans-821.5-171.8-110.6-68.7000115.9P128 G132P128-H130 VanDerWaalsContact C-N 3.33Å; P128-H130 PolarHBondContact O-N 3.09Å; H130-G132 VanDerWaalsContact C-N 3.26Å; H130-G132 PolarHBondContact O-N 2.7Å
131F49.3Very low48.8Very low202 Ų202138.2 Ų138.289%0.88676%0.759SS**G310 helixtrans-839176.1-78.1-86.9000114.5E129 T133E129-F131 VanDerWaalsContact C-N 3.3Å; E129-F131 PolarHBondContact O-N 3.12Å; F131-T133 PolarHBondContact O-N 2.95Å
132G49.8Very low48.1Very low64 Ų64143.5 Ų143.566%0.6677%0.769SS**SBendtrans-80.1-7.4-169.800000118.4H130H130-G132 VanDerWaalsContact C-N 3.26Å; H130-G132 PolarHBondContact O-N 2.7Å
133T47.3Very low47.3Very low113 Ų113141 Ų14169%0.69378%0.78SS**  trans-140.9118.6-173.835.20000114.8F131 V135F131-T133 PolarHBondContact O-N 2.95Å; T133-V135 PolarHBondContact O-N 3.17Å
134P46.7Very low46.5Very low116 Ų116147.5 Ų147.575%0.75380%0.797SS**  trans-81.7113.517631.5-32.9000111.9I136P134-I136 HydrophobicContact CB-CD1 4.32Å; P134-I136 PolarHBondContact O-N 2.71Å
135V42.7Very low46.1Very low134 Ų134153.4 Ų153.481%0.81281%0.805SS**  trans-82.279.6-174.7-1700000112.3T133 G137T133-V135 PolarHBondContact O-N 3.17Å; V135-G137 PolarHBondContact O-N 3.28Å
136I48.3Very low45.2Very low160 Ų160150.5 Ų150.582%0.82180%0.798SS**  trans-77.1107.9167.8-85.858.9000108.9P134P134-I136 HydrophobicContact CB-CD1 4.32Å; P134-I136 PolarHBondContact O-N 2.71Å
137G41.7Very low44.3Very low65 Ų65153 Ų15367%0.6781%0.808SS**  trans-141.442.9-162.500000117.7V135V135-G137 PolarHBondContact O-N 3.28Å
138K41.1Very low43.5Very low207 Ų207154.4 Ų154.490%0.981%0.81SS**  trans50.292.1164.1-71.3-177.8176.2175.50119.5
139K52.3Low42.9Very low193 Ų193155.1 Ų155.184%0.83981%0.806SS**  trans14126.6136-64.4179.1178-179.30119.6
140T40Very low41.9Very low142 Ų142150.5 Ų150.587%0.87179%0.792SS**  -126.8163.2123.457.80000109.5
141N47.8Very low41.3Very low154 Ų154150.6 Ų150.682%0.82479%0.793SS**SBendtrans-84.1121.8-161.9-77.9-12.1000115.1
142R42.7Very low40.6Very low246 Ų246148.4 Ų148.493%0.92879%0.785SS**  trans-154.3109.4131.7-104.7164.6-167174.34.3108.5R144R142-R144 PolarHBondContact O-N 3.14Å
143G35.7Very low39.7Very low84 Ų84152.9 Ų152.987%0.86679%0.789SS**  trans-79.2101.1-16600000113.8R145G143-R145 PolarHBondContact O-N 3.25Å
144R38.4Very low39.3Very low248 Ų248152.8 Ų152.894%0.93679%0.793SS**  trans-76.193.8159.4-170.2-177.7-168.4-172.24.5108R142R142-R144 PolarHBondContact O-N 3.14Å
145R37.2Very low38.7Very low233 Ų233152.3 Ų152.388%0.87979%0.792SS**  trans-70.3142.8166.7-144.3172.7-173.1175-0.9107.6G143 N147G143-R145 PolarHBondContact O-N 3.25Å; R145-N147 PolarHBondContact O-N 3.35Å
146S37.3Very low38.7Very low103 Ų103150.9 Ų150.972%0.7279%0.788SS**  trans-68129.4178.5470000110.4H148S146-H148 VanDerWaalsContact C-N 3.26Å; S146-H148 PolarHBondContact O-N 2.94Å
147N33.3Very low38.3Very low163 Ų163149 Ų14987%0.87279%0.789SS**  trans-69.895.6154.5-92.452000107R145R145-N147 PolarHBondContact O-N 3.35Å
148H28.9Very low38.2Very low152 Ų152148 Ų14870%0.70477%0.772SS**  trans-53.7139149.7-158.4-77.9000106.8S146 P150S146-H148 VanDerWaalsContact C-N 3.26Å; S146-H148 PolarHBondContact O-N 2.94Å; H148-P150 WeakPolarHBondContact O-CD 3.49Å
149I39.1Very low38.2Very low136 Ų136140.1 Ų140.170%0.69774%0.743SS**  trans-65.5123.9166.2-66.8167.6000105.8E151I149-E151 PolarHBondContact O-N 3.45Å
150P33.2Very low38.1Very low88 Ų88138 Ų13857%0.57174%0.741SS**  trans-64.1115.2159.9-925.8000106H148 E152H148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-E152 PolarHBondContact O-N 3.44Å
151E34.8Very low38.7Very low159 Ų159136.4 Ų136.474%0.74373%0.727SS**  trans-66125151.2-67.7176.4139.300104.5I149 E153I149-E151 PolarHBondContact O-N 3.45Å; E151-E153 PolarHBondContact O-N 3.48Å
152E34.9Very low39.1Very low157 Ų157132.2 Ų132.273%0.73471%0.705SS**  trans-7653.9-174.5-65.2-72.6164.300110.8P150 S154P150-E152 PolarHBondContact O-N 3.44Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.93Å; E152-S154 PolarHBondContact O-OG 3.49Å
153E31.6Very low39.9Very low158 Ų158124.2 Ų124.274%0.73868%0.678SS**  trans-52.397159.4-78.2-69.3166.300107.5E151 S155E151-E153 PolarHBondContact O-N 3.48Å; E153-S155 PolarHBondContact O-N 2.86Å; E153-S155 PolarHBondContact O-OG 2.99Å
154S37.3Very low41Very low111 Ų111126.3 Ų126.378%0.77667%0.665SS**  trans-75.160.4-167.8-67.80000111.8E152 S156E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.93Å; E152-S154 PolarHBondContact O-OG 3.49Å; S154-S156 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact O-N 3.17Å
155S34.6Very low41.8Very low105 Ų105118 Ų11873%0.73464%0.637SS**  trans-73.798.2172.547.40000108.8E153 S157E153-S155 PolarHBondContact O-N 2.86Å; E153-S155 PolarHBondContact O-OG 2.99Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 2.86Å
156S42.8Very low42.9Very low104 Ų104115.9 Ų115.973%0.72763%0.629SS**  trans-64.584.5-177.554.90000112.2S154 S158S154-S156 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact O-N 3.17Å; S156-S158 PolarHBondContact O-N 3.32Å
157S40.5Very low44Very low120 Ų120116.6 Ų116.684%0.83962%0.619SS**  trans-76.360.2162.1-179.70000109.9S155 S159S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 2.86Å; S157-S159 PolarHBondContact O-N 2.85Å
158S38.7Very low45.3Very low45 Ų45112.5 Ų112.532%0.31560%0.595SS.*  trans-61.2136168.6-159.20000108.9S156 E163S156-S158 PolarHBondContact O-N 3.32Å; S158-E163 VanDerWaalsContact OG-CB 3.3Å; S158-E163 WeakPolarHBondContact OG-CB 3.44Å; S158-E163 WeakPolarHBondContact OG-CG 3.41Å; S158-E163 PolarHBondContact OG-N 2.89Å
159S42.4Very low47.1Very low42 Ų42107 Ų10729%0.29457%0.572SS.*  trans-71.4149.8149.472.40000107.6S157 D161 D162 E163S157-S159 PolarHBondContact O-N 2.85Å; S159-D161 PolarHBondContact O-N 2.68Å; S159-D162 PolarHBondContact O-N 3Å; S159-D162 WeakPolarHBondContact OG-CB 3.28Å; S159-D162 PolarHBondContact OG-N 3.5Å; S159-D162 PolarHBondContact OG-OD2 3.28Å; S159-E163 PolarHBondContact O-N 3.25Å
160D48.6Very low48.6Very low148 Ų148105.9 Ų105.979%0.79157%0.567SS**Hα-helixtrans-58.9-35.8176.7-63-78.9000110.6E163 E164D160-E163 PolarHBondContact O-N 3.48Å; D160-E164 WeakPolarHBondContact O-CB 3.37Å; D160-E164 PolarHBondContact O-N 2.9Å
161D54.1Low51Low109 Ų109107.1 Ų107.158%0.58357%0.565SS**Hα-helixtrans-59.6-46.8174.1-48.4-97.6000112.9S159 E163 E164 E165S159-D161 PolarHBondContact O-N 2.68Å; D161-E163 VanDerWaalsContact C-N 3.3Å; D161-E163 PolarHBondContact O-N 2.93Å; D161-E164 PolarHBondContact O-N 2.98Å; D161-E165 PolarHBondContact O-N 3.12Å
162D55.8Low53.4Low65 Ų65100.4 Ų100.435%0.34854%0.535SS..Hα-helixtrans-66.2-31179.7-73.2-57000112.3S159 R166 K209S159-D162 PolarHBondContact O-N 3Å; S159-D162 WeakPolarHBondContact OG-CB 3.28Å; S159-D162 PolarHBondContact OG-N 3.5Å; S159-D162 PolarHBondContact OG-OD2 3.28Å; D162-R166 WeakPolarHBondContact O-CB 3.2Å; D162-R166 WeakPolarHBondContact O-CD 3.47Å; D162-R166 WeakPolarHBondContact O-CG 3.18Å; D162-R166 PolarHBondContact O-N 2.93Å; D162-K209 IonicContact OD1-NZ 3.7Å; D162-K209 PolarHBondContact OD1-NZ 2.8Å
163E58.9Low56Low79 Ų7994.9 Ų94.937%0.36951%0.51SS..Hα-helixtrans-80.1-36.6176.4-120.7-175.7-123.800112.1S158 S159 D160 D161 R166 K167S158-E163 VanDerWaalsContact OG-CB 3.3Å; S158-E163 WeakPolarHBondContact OG-CB 3.44Å; S158-E163 WeakPolarHBondContact OG-CG 3.41Å; S158-E163 PolarHBondContact OG-N 2.89Å; S159-E163 PolarHBondContact O-N 3.25Å; D160-E163 PolarHBondContact O-N 3.48Å; D161-E163 VanDerWaalsContact C-N 3.3Å; D161-E163 PolarHBondContact O-N 2.93Å; E163-R166 PolarHBondContact O-N 3.26Å; E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 VanDerWaalsContact O-CD 3.25Å; E163-K167 WeakPolarHBondContact O-CD 3.26Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.86Å; E163-K167 VanDerWaalsContact OE2-CE 3.24Å; E163-K167 WeakPolarHBondContact OE2-CE 3.31Å; E163-K167 IonicContact OE2-NZ 2.7Å; E163-K167 PolarHBondContact OE2-NZ 3.46Å
164E58.1Low58.6Low127 Ų12787.4 Ų87.459%0.59348%0.475SS*.Hα-helixtrans-67.9-40.9176.8-167.1165.7-125.400111.8D160 D161 K167 Q168D160-E164 WeakPolarHBondContact O-CB 3.37Å; D160-E164 PolarHBondContact O-N 2.9Å; D161-E164 PolarHBondContact O-N 2.98Å; E164-K167 PolarHBondContact O-N 2.84Å; E164-Q168 WeakPolarHBondContact O-CB 3.35Å; E164-Q168 WeakPolarHBondContact O-CG 3.31Å; E164-Q168 PolarHBondContact O-N 3.08Å
165E56.7Low61.1Low74 Ų7484.4 Ų84.435%0.34645%0.448SS..Hα-helixtrans-67.9-35.2173.3-74.3-175-170.800113.4D161 T169 K209D161-E165 PolarHBondContact O-N 3.12Å; E165-T169 WeakPolarHBondContact O-CB 3.35Å; E165-T169 PolarHBondContact O-N 3.13Å; E165-T169 PolarHBondContact O-OG1 2.78Å; E165-K209 WeakPolarHBondContact OE2-CE 3.47Å; E165-K209 WeakPolarHBondContact OE2-CG 3.49Å; E165-K209 IonicContact OE2-NZ 3.86Å
166R60.2Low63.8Low188 Ų18879.9 Ų79.971%0.70942%0.416SS*.Hα-helixtrans-64.5-50.2172.3-81.3175.9-179.9-153.80.3111.3D162 E163 Q168 T169 D170D162-R166 WeakPolarHBondContact O-CB 3.2Å; D162-R166 WeakPolarHBondContact O-CD 3.47Å; D162-R166 WeakPolarHBondContact O-CG 3.18Å; D162-R166 PolarHBondContact O-N 2.93Å; E163-R166 PolarHBondContact O-N 3.26Å; R166-Q168 VanDerWaalsContact C-N 3.28Å; R166-Q168 PolarHBondContact O-N 3.07Å; R166-T169 WeakPolarHBondContact O-CA 3.06Å; R166-T169 WeakPolarHBondContact O-CB 3.48Å; R166-T169 PolarHBondContact O-N 2.97Å; R166-D170 WeakPolarHBondContact O-CB 2.88Å; R166-D170 PolarHBondContact O-N 2.7Å
167K60.8Low66.2Low118 Ų11875 Ų7551%0.51338%0.381SS..Hα-helixtrans-57.3-41.9176.4-70.5159-165.2165.20111.5E163 E164 T169 D170 E171E163-K167 WeakPolarHBondContact O-CB 3.47Å; E163-K167 VanDerWaalsContact O-CD 3.25Å; E163-K167 WeakPolarHBondContact O-CD 3.26Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.86Å; E163-K167 VanDerWaalsContact OE2-CE 3.24Å; E163-K167 WeakPolarHBondContact OE2-CE 3.31Å; E163-K167 IonicContact OE2-NZ 2.7Å; E163-K167 PolarHBondContact OE2-NZ 3.46Å; E164-K167 PolarHBondContact O-N 2.84Å; K167-T169 VanDerWaalsContact C-N 3.32Å; K167-T169 PolarHBondContact O-N 3.29Å; K167-D170 PolarHBondContact O-N 3.18Å; K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 PolarHBondContact O-N 3.13Å
168Q59.9Low68.6Low78 Ų7869.6 Ų69.636%0.36434%0.344SS..Hα-helixtrans-61.8-36.2173.4-87.4-170.454.700113.5E164 R166 R227E164-Q168 WeakPolarHBondContact O-CB 3.35Å; E164-Q168 WeakPolarHBondContact O-CG 3.31Å; E164-Q168 PolarHBondContact O-N 3.08Å; R166-Q168 VanDerWaalsContact C-N 3.28Å; R166-Q168 PolarHBondContact O-N 3.07Å; Q168-R227 VanDerWaalsContact C-NH1 3.28Å; Q168-R227 PolarHBondContact O-NH1 2.91Å; Q168-R227 PolarHBondContact O-NH2 3.07Å
169T65.4Low71.2Confident37 Ų3767.6 Ų67.623%0.22733%0.33CS..Hα-helixtrans-74.3-42.8178.2-59.10000111.3E165 R166 K167 E171 L172 L173 I212E165-T169 WeakPolarHBondContact O-CB 3.35Å; E165-T169 PolarHBondContact O-N 3.13Å; E165-T169 PolarHBondContact O-OG1 2.78Å; R166-T169 WeakPolarHBondContact O-CA 3.06Å; R166-T169 WeakPolarHBondContact O-CB 3.48Å; R166-T169 PolarHBondContact O-N 2.97Å; K167-T169 VanDerWaalsContact C-N 3.32Å; K167-T169 PolarHBondContact O-N 3.29Å; T169-E171 VanDerWaalsContact C-N 3.35Å; T169-E171 PolarHBondContact O-N 2.99Å; T169-L172 PolarHBondContact O-N 2.87Å; T169-L172 VanDerWaalsContact O-N 3.15Å; T169-L173 PolarHBondContact O-N 3.27Å; T169-I212 HydrophobicContact CG2-CG2 4.04Å
170D72.4Confident73.5Confident111 Ų11168.6 Ų68.659%0.59433%0.332SS*.Hα-helixtrans-57.1-44.8173.4-162.227.3000111.3R166 K167 L172 L173R166-D170 WeakPolarHBondContact O-CB 2.88Å; R166-D170 PolarHBondContact O-N 2.7Å; K167-D170 PolarHBondContact O-N 3.18Å; D170-L172 PolarHBondContact O-N 2.89Å; D170-L173 WeakPolarHBondContact O-CB 3.24Å; D170-L173 PolarHBondContact O-N 3.36Å
171E82.9Confident75.3Confident114 Ų11465.7 Ų65.753%0.53331%0.31SS..THydrogen-bonded Turntrans-62.6-14.3177.3-160.2-123.8127.100114.6K167 T169 K175K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 PolarHBondContact O-N 3.13Å; T169-E171 VanDerWaalsContact C-N 3.35Å; T169-E171 PolarHBondContact O-N 2.99Å; E171-K175 WeakPolarHBondContact O-CD 3.27Å; E171-K175 WeakPolarHBondContact O-CE 3.44Å; E171-K175 PolarHBondContact O-NZ 2.96Å; E171-K175 IonicContact OE1-NZ 3Å; E171-K175 PolarHBondContact OE1-NZ 2.87Å
172L85.8Confident76.7Confident19 Ų1965.8 Ų65.810%0.09932%0.315CS..THydrogen-bonded Turntrans-99.6-11.7173.2-66.6-170.6000114.2T169 D170 G174 K175 V196 I212T169-L172 PolarHBondContact O-N 2.87Å; T169-L172 VanDerWaalsContact O-N 3.15Å; D170-L172 PolarHBondContact O-N 2.89Å; L172-G174 PolarHBondContact O-N 2.91Å; L172-K175 HydrophobicContact CD2-CD 4Å; L172-K175 WeakPolarHBondContact O-CB 3.34Å; L172-K175 PolarHBondContact O-N 3.41Å; L172-V196 HydrophobicContact CB-CG1 4.25Å; L172-V196 HydrophobicContact CB-CG2 4.29Å; L172-V196 VanDerWaalsContact O-CB 3.26Å; L172-V196 WeakPolarHBondContact O-CB 3.49Å; L172-I212 HydrophobicContact CD1-CD1 4.47Å
173L88.2Confident77.6Confident40 Ų4063.3 Ų63.321%0.20930%0.303CS..THydrogen-bonded Turntrans-58140179.7-63.2-177.3000111T169 D170 K175 V196 S399T169-L173 PolarHBondContact O-N 3.27Å; D170-L173 WeakPolarHBondContact O-CB 3.24Å; D170-L173 PolarHBondContact O-N 3.36Å; L173-K175 PolarHBondContact O-N 3.04Å; L173-V196 HydrophobicContact CD2-CG1 4.2Å; L173-S399 CarbonylContact C-O 3.47Å
174G87Confident78.2Confident1 Ų167.5 Ų67.51%0.0133%0.327CS..THydrogen-bonded Turntrans70.1-0.2179.300000115.2L172 V196 R259 S399L172-G174 PolarHBondContact O-N 2.91Å; G174-V196 PolarHBondContact N-O 3.02Å; G174-R259 PolarHBondContact O-NH1 3.14Å; G174-S399 VanDerWaalsContact CA-O 3.29Å; G174-S399 WeakPolarHBondContact CA-O 3.14Å; G174-S399 PolarHBondContact N-O 3.38Å
175K89.9Confident78.8Confident49 Ų4969.6 Ų69.621%0.21334%0.336CS..  trans-87.7147.8175-61.7-171.2175.5170.60112.3E171 L172 L173 L195 V196 E232E171-K175 WeakPolarHBondContact O-CD 3.27Å; E171-K175 WeakPolarHBondContact O-CE 3.44Å; E171-K175 PolarHBondContact O-NZ 2.96Å; E171-K175 IonicContact OE1-NZ 3Å; E171-K175 PolarHBondContact OE1-NZ 2.87Å; L172-K175 HydrophobicContact CD2-CD 4Å; L172-K175 WeakPolarHBondContact O-CB 3.34Å; L172-K175 PolarHBondContact O-N 3.41Å; L173-K175 PolarHBondContact O-N 3.04Å; K175-L195 WeakPolarHBondContact O-CD1 3.46Å; K175-V196 PolarHBondContact O-N 3.26Å; K175-V196 VanDerWaalsContact O-N 3.15Å; K175-E232 VanDerWaalsContact CD-CD 3.49Å; K175-E232 HydrophobicContact CD-CG 4.25Å; K175-E232 VanDerWaalsContact CD-OE2 3.3Å; K175-E232 WeakPolarHBondContact CD-OE2 3.26Å; K175-E232 WeakPolarHBondContact CE-OE2 3.46Å; K175-E232 IonicContact NZ-OE1 3.29Å; K175-E232 IonicContact NZ-OE2 3.8Å; K175-E232 PolarHBondContact NZ-OE2 3.09Å
176V91.1Very high79.4Confident10 Ų1072.7 Ų72.76%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-89.1128174.2178.90000109.3F217 I233 A252 F255 H256V176-F217 HydrophobicContact CG1-CE2 4.03Å; V176-F217 HydrophobicContact CG2-CE2 4.21Å; V176-F217 HydrophobicContact CG2-CZ 4.2Å; V176-I233 HydrophobicContact CG1-CD1 3.83Å; V176-I233 HydrophobicContact CG1-CG1 4.23Å; V176-I233 PolarHBondContact O-N 3.3Å; V176-A252 HydrophobicContact CG1-CB 3.82Å; V176-F255 HydrophobicContact CG2-CD1 3.79Å; V176-F255 HydrophobicContact CG2-CE1 4.43Å; V176-H256 HydrophobicContact CG2-CB 4.18Å
177V92.3Very high80Confident0 Ų072.9 Ų72.90%036%0.355CS..EExtended strand (participates in β ladder)trans-130.5148-171.4-63.90000112.3V179 P193 A194 V196 V214 V230 H231V177-V179 HydrophobicContact CG2-CG2 4.09Å; V177-P193 CarbonylContact O-C 3.57Å; V177-P193 WeakPolarHBondContact O-CA 3.39Å; V177-A194 HydrophobicContact CG2-CB 4.29Å; V177-A194 WeakPolarHBondContact CG2-O 3.45Å; V177-A194 PolarHBondContact N-O 2.98Å; V177-A194 PolarHBondContact O-N 3.5Å; V177-V196 HydrophobicContact CB-CG2 4.34Å; V177-V196 HydrophobicContact CG1-CG2 3.64Å; V177-V196 HydrophobicContact CG2-CG2 3.67Å; V177-V214 HydrophobicContact CG2-CG1 4.33Å; V177-V230 HydrophobicContact CB-CG1 3.53Å; V177-V230 HydrophobicContact CG1-CG1 3.74Å; V177-V230 HydrophobicContact CG2-CG1 3.63Å; V177-H231 CarbonylContact C-O 3.47Å; V177-H231 VanDerWaalsContact CA-O 3.25Å; V177-H231 WeakPolarHBondContact CA-O 3.46Å; V177-H231 WeakPolarHBondContact CB-O 3.49Å
178C91.9Very high80.7Confident7 Ų772.1 Ų72.15%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-83.9133159.1-77.50000108.9W191 V230 H231 I233C178-W191 HydrophobicContact CB-CE3 4.3Å; C178-W191 VanDerWaalsContact SG-CE3 3.54Å; C178-W191 VanDerWaalsContact SG-CZ3 3.57Å; C178-V230 WeakPolarHBondContact O-CA 3.38Å; C178-H231 PolarHBondContact N-O 2.92Å; C178-H231 PolarHBondContact O-N 2.85Å; C178-I233 HydrophobicContact CB-CG1 4.43Å; C178-I233 VanDerWaalsContact SG-CD1 3.51Å
179V92.9Very high81.6Confident4 Ų471.8 Ų71.82%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-114.6119.9173-174.80000109.4V177 W191 F192 A194 V214 V225 D229 V230V177-V179 HydrophobicContact CG2-CG2 4.09Å; V179-W191 CarbonylContact O-C 3.52Å; V179-W191 WeakPolarHBondContact O-CA 3.21Å; V179-F192 HydrophobicContact CB-CD1 4.2Å; V179-F192 HydrophobicContact CB-CE1 3.75Å; V179-F192 HydrophobicContact CB-CE2 4.16Å; V179-F192 HydrophobicContact CB-CZ 3.74Å; V179-F192 HydrophobicContact CG1-CE1 3.81Å; V179-F192 HydrophobicContact CG1-CZ 3.83Å; V179-F192 HydrophobicContact CG2-CE2 4.29Å; V179-F192 HydrophobicContact CG2-CZ 4.21Å; V179-F192 PolarHBondContact N-O 3.4Å; V179-F192 PolarHBondContact O-N 3.22Å; V179-A194 HydrophobicContact CG2-CB 3.99Å; V179-V214 HydrophobicContact CG2-CG1 4.46Å; V179-V214 HydrophobicContact CG2-CG2 4.39Å; V179-V225 HydrophobicContact CG1-CB 4.02Å; V179-V225 HydrophobicContact CG1-CG1 4.01Å; V179-V225 HydrophobicContact CG1-CG2 4.08Å; V179-V225 HydrophobicContact CG2-CG2 4.47Å; V179-D229 WeakPolarHBondContact CA-O 3.32Å; V179-V230 HydrophobicContact CG1-CG2 4.38Å; V179-V230 HydrophobicContact CG2-CG1 4.47Å; V179-V230 HydrophobicContact CG2-CG2 4.25Å
180D90.6Very high82.6Confident62 Ų6271.8 Ų71.833%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-84.9142.7177.7-77-72000112M190 D229 H231D180-M190 CarbonylContact C-O 3.49Å; D180-D229 PolarHBondContact N-O 3.02Å; D180-H231 IonicContact OD2-CE1 2.8Å; D180-H231 PolarHBondContact OD2-CE1 3.23Å; D180-H231 VanDerWaalsContact OD2-CE1 3.29Å; D180-H231 IonicContact OD2-ND1 3.88Å; D180-H231 PolarHBondContact OD2-ND1 2.74Å
181Y87.1Confident83.5Confident87 Ų8768.1 Ų68.134%0.34134%0.338SS..EExtended strand (participates in β ladder)trans-152.6152.1175.375.8-78.2000112.5M190 F192Y181-M190 HydrophobicContact CD1-CB 4.05Å; Y181-M190 VanDerWaalsContact CD1-O 3.26Å; Y181-M190 WeakPolarHBondContact CD1-O 3.38Å; Y181-M190 HydrophobicContact CE1-CB 3.51Å; Y181-M190 HydrophobicContact CE2-CB 4.17Å; Y181-M190 PolarHBondContact N-O 3.41Å; Y181-M190 PolarHBondContact O-N 3Å; Y181-F192 AromaticContact CD1-CD1 3.75Å; Y181-F192 HydrophobicContact CD1-CD1 3.75Å; Y181-F192 HydrophobicContact CD1-CE1 4.03Å; Y181-F192 AromaticContact CE1-CD1 3.8Å; Y181-F192 HydrophobicContact CE1-CD1 3.8Å; Y181-F192 HydrophobicContact CE1-CE1 4.41Å
182V82.4Confident83.9Confident112 Ų11263.9 Ų63.968%0.67932%0.318SS*.EExtended strand (participates in β ladder)trans-92.2117.1177.8-177.20000110L184V182-L184 PolarHBondContact O-N 3.03Å
183S76.4Confident84.2Confident13 Ų1363 Ų639%0.09131%0.313CS..  trans-72.1111.1173.9177.10000110.7E185 K186 K187 K188S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 PolarHBondContact O-N 3.41Å; S183-K186 PolarHBondContact O-N 2.64Å; S183-K186 PolarHBondContact OG-N 2.95Å; S183-K187 WeakPolarHBondContact O-CA 3.46Å; S183-K187 PolarHBondContact O-N 3.34Å; S183-K188 PolarHBondContact N-O 3.45Å; S183-K188 VanDerWaalsContact N-O 3.11Å
184L70.6Confident84.5Confident167 Ų16761 Ų6187%0.87430%0.303SS*.THydrogen-bonded Turntrans-56.3-39.7177-76.1166.4000113V182V182-L184 PolarHBondContact O-N 3.03Å
185E70.3Confident84.8Confident170 Ų17061 Ų6179%0.79430%0.302SS*.THydrogen-bonded Turntrans-68.2-44.9179.9-60.4-179.715400112.7S183S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 PolarHBondContact O-N 3.41Å
186K68.8Low84.9Confident140 Ų14058.7 Ų58.761%0.60929%0.292SS*.THydrogen-bonded Turntrans-103.6-9-166.7-68.2171.6-177.1171.80113.5S183 K188 M190S183-K186 PolarHBondContact O-N 2.64Å; S183-K186 PolarHBondContact OG-N 2.95Å; K186-K188 HydrophobicContact CB-CB 4.42Å; K186-K188 PolarHBondContact O-N 2.93Å; K186-M190 HydrophobicContact CD-CE 3.77Å
187K73.2Confident84.9Confident192 Ų19258.2 Ų58.284%0.83529%0.29SS*.  trans48.825.7-173.6-60.1-175.6178.9-1790113.7S183S183-K187 WeakPolarHBondContact O-CA 3.46Å; S183-K187 PolarHBondContact O-N 3.34Å
188K76.8Confident84.7Confident101 Ų10159 Ų5944%0.43930%0.295SS..  trans-102.5139176.2-164.2-157.7169.4-1780107.8S183 K186 M190 D242S183-K188 PolarHBondContact N-O 3.45Å; S183-K188 VanDerWaalsContact N-O 3.11Å; K186-K188 HydrophobicContact CB-CB 4.42Å; K186-K188 PolarHBondContact O-N 2.93Å; K188-M190 HydrophobicContact CD-CE 4.32Å; K188-M190 PolarHBondContact O-N 3.4Å; K188-D242 IonicContact NZ-OD1 2.65Å; K188-D242 IonicContact NZ-OD2 3.7Å; K188-D242 PolarHBondContact NZ-OD2 3.36Å
189A77.1Confident84.4Confident72 Ų7261 Ų6160%0.59531%0.307SS*.EExtended strand (participates in β ladder)trans-60.3132.2159.100000108.7
190M87.3Confident83.8Confident37 Ų3765.3 Ų65.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-130155.9174.7-72.3-171.9162.900107.8D180 Y181 K186 K188D180-M190 CarbonylContact C-O 3.49Å; Y181-M190 HydrophobicContact CD1-CB 4.05Å; Y181-M190 VanDerWaalsContact CD1-O 3.26Å; Y181-M190 WeakPolarHBondContact CD1-O 3.38Å; Y181-M190 HydrophobicContact CE1-CB 3.51Å; Y181-M190 HydrophobicContact CE2-CB 4.17Å; Y181-M190 PolarHBondContact N-O 3.41Å; Y181-M190 PolarHBondContact O-N 3Å; K186-M190 HydrophobicContact CD-CE 3.77Å; K188-M190 HydrophobicContact CD-CE 4.32Å; K188-M190 PolarHBondContact O-N 3.4Å
191W90.5Very high83.4Confident34 Ų3462.4 Ų62.413%0.12932%0.315CS..EExtended strand (participates in β ladder)trans-132165.7175.161.4-89.6000110C178 V179 P239 P241 L245 F249C178-W191 HydrophobicContact CB-CE3 4.3Å; C178-W191 VanDerWaalsContact SG-CE3 3.54Å; C178-W191 VanDerWaalsContact SG-CZ3 3.57Å; V179-W191 CarbonylContact O-C 3.52Å; V179-W191 WeakPolarHBondContact O-CA 3.21Å; W191-P239 HydrophobicContact CH2-CB 4.42Å; W191-P239 HydrophobicContact CZ2-CB 3.74Å; W191-P239 HydrophobicContact CZ2-CG 4.43Å; W191-P239 WeakPolarHBondContact CZ2-O 3.27Å; W191-P241 HydrophobicContact CH2-CB 4.05Å; W191-P241 HydrophobicContact CZ2-CB 4.06Å; W191-L245 HydrophobicContact CD2-CD1 4.47Å; W191-L245 WeakPolarHBondContact O-CD1 3.24Å; W191-F249 AromaticContact CH2-CD2 3.68Å; W191-F249 HydrophobicContact CH2-CD2 3.68Å; W191-F249 HydrophobicContact CH2-CE2 4.23Å; W191-F249 HydrophobicContact CH2-CG 4.24Å; W191-F249 AromaticContact CZ3-CD2 3.87Å; W191-F249 HydrophobicContact CZ3-CD2 3.87Å; W191-F249 HydrophobicContact CZ3-CE2 4.49Å
192F91.8Very high83Confident24 Ų2458.6 Ų58.611%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-144.7146.916861.9-80.4000110.8V179 Y181 A194 K218 L245V179-F192 HydrophobicContact CB-CD1 4.2Å; V179-F192 HydrophobicContact CB-CE1 3.75Å; V179-F192 HydrophobicContact CB-CE2 4.16Å; V179-F192 HydrophobicContact CB-CZ 3.74Å; V179-F192 HydrophobicContact CG1-CE1 3.81Å; V179-F192 HydrophobicContact CG1-CZ 3.83Å; V179-F192 HydrophobicContact CG2-CE2 4.29Å; V179-F192 HydrophobicContact CG2-CZ 4.21Å; V179-F192 PolarHBondContact N-O 3.4Å; V179-F192 PolarHBondContact O-N 3.22Å; Y181-F192 AromaticContact CD1-CD1 3.75Å; Y181-F192 HydrophobicContact CD1-CD1 3.75Å; Y181-F192 HydrophobicContact CD1-CE1 4.03Å; Y181-F192 AromaticContact CE1-CD1 3.8Å; Y181-F192 HydrophobicContact CE1-CD1 3.8Å; Y181-F192 HydrophobicContact CE1-CE1 4.41Å; F192-A194 HydrophobicContact CD2-CB 4.17Å; F192-A194 HydrophobicContact CE2-CB 3.95Å; F192-K218 HydrophobicContact CB-CD 4.45Å; F192-L245 HydrophobicContact CB-CD2 4.24Å
193P92.8Very high82.4Confident0 Ų059.9 Ų59.90%030%0.304CS..EExtended strand (participates in β ladder)trans-73.9137.3170.829.1-31.2000110.5V177 F217 I233 A248 F249 A252V177-P193 CarbonylContact O-C 3.57Å; V177-P193 WeakPolarHBondContact O-CA 3.39Å; P193-F217 HydrophobicContact CB-CB 4.48Å; P193-F217 HydrophobicContact CB-CD2 4.31Å; P193-F217 HydrophobicContact CG-CB 4.23Å; P193-F217 PolarHBondContact O-N 3.24Å; P193-I233 HydrophobicContact CB-CD1 4.26Å; P193-A248 HydrophobicContact CG-CB 3.96Å; P193-A248 WeakPolarHBondContact CG-O 3.49Å; P193-F249 HydrophobicContact CG-CB 4.39Å; P193-A252 HydrophobicContact CB-CB 3.7Å; P193-A252 HydrophobicContact CG-CB 4.35Å
194A94.1Very high82.5Confident0 Ų066.4 Ų66.40%033%0.333CS..EExtended strand (participates in β ladder)trans-144165.5177.400000111.3V177 V179 F192 V214 R215V177-A194 HydrophobicContact CG2-CB 4.29Å; V177-A194 WeakPolarHBondContact CG2-O 3.45Å; V177-A194 PolarHBondContact N-O 2.98Å; V177-A194 PolarHBondContact O-N 3.5Å; V179-A194 HydrophobicContact CG2-CB 3.99Å; F192-A194 HydrophobicContact CD2-CB 4.17Å; F192-A194 HydrophobicContact CE2-CB 3.95Å; A194-V214 HydrophobicContact CB-CB 3.83Å; A194-V214 HydrophobicContact CB-CG1 4.42Å; A194-V214 HydrophobicContact CB-CG2 4.13Å; A194-R215 CarbonylContact C-O 3.6Å; A194-R215 VanDerWaalsContact CA-O 3.29Å; A194-R215 WeakPolarHBondContact CA-O 3.44Å; A194-R215 WeakPolarHBondContact CB-O 3.47Å
195L93.1Very high83.1Confident0 Ų060.5 Ų60.50%030%0.302CS..EExtended strand (participates in β ladder)trans-108.4130.7171.8174.162.7000108.5K175 V197 V214 R215 F217 F255 W265 A400K175-L195 WeakPolarHBondContact O-CD1 3.46Å; L195-V197 HydrophobicContact CG-CG1 4.3Å; L195-V214 CarbonylContact O-C 3.55Å; L195-V214 VanDerWaalsContact O-CA 3.23Å; L195-V214 WeakPolarHBondContact O-CA 3.25Å; L195-R215 PolarHBondContact N-O 3.29Å; L195-R215 PolarHBondContact O-N 2.98Å; L195-F217 HydrophobicContact CB-CE2 3.86Å; L195-F217 HydrophobicContact CB-CZ 4.16Å; L195-F255 HydrophobicContact CD1-CD1 4.42Å; L195-F255 HydrophobicContact CD1-CE1 3.65Å; L195-F255 HydrophobicContact CD1-CZ 4.3Å; L195-F255 HydrophobicContact CD2-CE1 3.82Å; L195-F255 HydrophobicContact CD2-CE2 4.46Å; L195-F255 HydrophobicContact CD2-CZ 3.71Å; L195-F255 HydrophobicContact CG-CE1 4.36Å; L195-W265 HydrophobicContact CB-CH2 3.83Å; L195-W265 HydrophobicContact CD2-CH2 3.7Å; L195-W265 HydrophobicContact CD2-CZ3 3.7Å; L195-W265 HydrophobicContact CG-CH2 4.46Å; L195-A400 HydrophobicContact CD2-CB 3.93Å
196V92.9Very high83.7Confident0 Ų056.8 Ų56.80%030%0.301CS..EExtended strand (participates in β ladder)trans-77.9138.2174.5-172.30000109.9L172 L173 G174 K175 V177 I212 V214L172-V196 HydrophobicContact CB-CG1 4.25Å; L172-V196 HydrophobicContact CB-CG2 4.29Å; L172-V196 VanDerWaalsContact O-CB 3.26Å; L172-V196 WeakPolarHBondContact O-CB 3.49Å; L173-V196 HydrophobicContact CD2-CG1 4.2Å; G174-V196 PolarHBondContact N-O 3.02Å; K175-V196 PolarHBondContact O-N 3.26Å; K175-V196 VanDerWaalsContact O-N 3.15Å; V177-V196 HydrophobicContact CB-CG2 4.34Å; V177-V196 HydrophobicContact CG1-CG2 3.64Å; V177-V196 HydrophobicContact CG2-CG2 3.67Å; V196-I212 HydrophobicContact CG1-CB 4.46Å; V196-I212 HydrophobicContact CG1-CD1 3.89Å; V196-I212 HydrophobicContact CG2-CD1 3.87Å; V196-V214 HydrophobicContact CG2-CG1 4.14Å
197V91Very high84.5Confident1 Ų152.2 Ų52.21%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-138.3158.7-174.8-62.30000111L195 L213 R215 F222 Y396L195-V197 HydrophobicContact CG-CG1 4.3Å; V197-L213 HydrophobicContact CG2-CB 3.98Å; V197-L213 HydrophobicContact CG2-CD2 3.84Å; V197-L213 HydrophobicContact CG2-CG 3.72Å; V197-L213 PolarHBondContact N-O 3.19Å; V197-R215 HydrophobicContact CG1-CB 4.49Å; V197-F222 HydrophobicContact CG2-CD1 4.07Å; V197-F222 HydrophobicContact CG2-CE1 4.11Å; V197-Y396 HydrophobicContact CB-CD2 4.45Å; V197-Y396 HydrophobicContact CG1-CD2 3.84Å; V197-Y396 HydrophobicContact CG1-CE2 3.69Å
198C87.9Confident85.2Confident17 Ų1750 Ų5012%0.11528%0.275CS..  trans-62.6136.9176.2179.20000111.1D200 C201 E395 S399C198-D200 PolarHBondContact O-N 3.3Å; C198-D200 VanDerWaalsContact O-N 3.13Å; C198-C201 VanDerWaalsContact O-CB 3.26Å; C198-C201 WeakPolarHBondContact O-CB 3.15Å; C198-C201 PolarHBondContact O-N 2.68Å; C198-C201 PolarHBondContact O-SG 2.96Å; C198-E395 HydrophobicContact CB-CG 3.97Å; C198-E395 VanDerWaalsContact CB-OE1 3.22Å; C198-E395 WeakPolarHBondContact CB-OE1 3.14Å; C198-E395 PolarHBondContact SG-OE1 3.02Å; C198-S399 VanDerWaalsContact CB-CB 3.5Å; C198-S399 WeakPolarHBondContact CB-OG 3.26Å; C198-S399 PolarHBondContact N-OG 2.72Å
199P85.1Confident85.4Confident47 Ų4750.7 Ų50.731%0.30528%0.277SS..G310 helixtrans-49.4-36.5176-31.738000114.8C201 S202 V207P199-C201 PolarHBondContact O-N 2.85Å; P199-S202 PolarHBondContact O-N 2.82Å; P199-V207 HydrophobicContact CB-CB 4.29Å; P199-V207 HydrophobicContact CB-CG2 3.89Å; P199-V207 HydrophobicContact CG-CG1 4.49Å; P199-V207 HydrophobicContact CG-CG2 4.33Å
200D81.1Confident85.9Confident96 Ų9652.6 Ų52.651%0.51328%0.278SS..G310 helixtrans-68.6-4.3-177.4-701.2000113.8C198 S202 E395C198-D200 PolarHBondContact O-N 3.3Å; C198-D200 VanDerWaalsContact O-N 3.13Å; D200-S202 PolarHBondContact O-N 2.92Å; D200-E395 HydrophobicContact CB-CG 4.25Å
201C80.8Confident86.1Confident0 Ų052.1 Ų52.10%028%0.276CS..G310 helixtrans-62.6-21.4169.4-64.30000113.3C198 P199 L213 F222 F319 R323 Y396C198-C201 VanDerWaalsContact O-CB 3.26Å; C198-C201 WeakPolarHBondContact O-CB 3.15Å; C198-C201 PolarHBondContact O-N 2.68Å; C198-C201 PolarHBondContact O-SG 2.96Å; P199-C201 PolarHBondContact O-N 2.85Å; C201-L213 HydrophobicContact CB-CD2 4.16Å; C201-F222 HydrophobicContact CB-CE1 4.48Å; C201-F319 HydrophobicContact CB-CE2 4.32Å; C201-F319 HydrophobicContact CB-CZ 4.42Å; C201-F319 WeakPolarHBondContact O-CZ 3.49Å; C201-R323 PolarHBondContact O-NH1 2.9Å; C201-Y396 WeakPolarHBondContact SG-CA 3.38Å
202S78.5Confident86.2Confident8 Ų850.7 Ų50.76%0.05627%0.271CS..  trans-142.3110.4-175.7-172.80000113.9P199 D200 E204P199-S202 PolarHBondContact O-N 2.82Å; D200-S202 PolarHBondContact O-N 2.92Å; S202-E204 PolarHBondContact O-N 2.72Å
203D71.2Confident86.3Confident138 Ų13849.6 Ų49.674%0.73827%0.266SS*.SBendtrans-66.3-19.2174.2-52.3-63.9000113.4R323D203-R323 IonicContact OD1-NH2 2.64Å; D203-R323 IonicContact OD2-CZ 3.85Å; D203-R323 IonicContact OD2-NE 2.68Å; D203-R323 IonicContact OD2-NH2 3.68Å; D203-R323 PolarHBondContact OD2-NH2 3.5Å
204E78.3Confident86.3Confident150 Ų15049.6 Ų49.670%0.70127%0.266SS*.SBendtrans-84.5-32.6-177-175.3168.8-159.700112.3S202 A206S202-E204 PolarHBondContact O-N 2.72Å; E204-A206 PolarHBondContact O-N 3.12Å
205I82.7Confident86.2Confident44 Ų4449.7 Ų49.723%0.22627%0.267CS..SBendtrans-9990.3-172.1-57.2176.8000110.1V207 L213 F222I205-V207 PolarHBondContact O-N 3.41Å; I205-L213 HydrophobicContact CB-CD1 4.13Å; I205-L213 HydrophobicContact CD1-CD1 4.22Å; I205-L213 HydrophobicContact CG2-CD1 3.71Å; I205-F222 HydrophobicContact CD1-CB 3.51Å; I205-F222 WeakPolarHBondContact CD1-O 3.34Å
206A83.4Confident86.2Confident92 Ų9249.9 Ų49.976%0.7627%0.268SS*.  trans-63.3100.917300000111.6E204E204-A206 PolarHBondContact O-N 3.12Å
207V85.3Confident86.1Confident43 Ų4349.9 Ų49.926%0.26127%0.268SS..  trans-71.3139.1175-1740000110P199 I205 N211 L213P199-V207 HydrophobicContact CB-CB 4.29Å; P199-V207 HydrophobicContact CB-CG2 3.89Å; P199-V207 HydrophobicContact CG-CG1 4.49Å; P199-V207 HydrophobicContact CG-CG2 4.33Å; I205-V207 PolarHBondContact O-N 3.41Å; V207-N211 HydrophobicContact CG1-CB 4.04Å; V207-N211 WeakPolarHBondContact CG1-O 3.36Å; V207-L213 HydrophobicContact CG2-CB 3.99Å; V207-L213 HydrophobicContact CG2-CD1 4.22Å
208K87.1Confident86.1Confident146 Ų14654.3 Ų54.364%0.63529%0.287SS*.  trans-93.4159.3174.9-61.9178.6-178.7176.60110.3D210 N211K208-D210 VanDerWaalsContact C-N 3.33Å; K208-D210 PolarHBondContact O-N 2.83Å; K208-N211 HydrophobicContact CB-CB 4.19Å; K208-N211 WeakPolarHBondContact O-CB 3.41Å; K208-N211 PolarHBondContact O-N 3.28Å
209K81.6Confident86Confident115 Ų11557 Ų5750%0.530%0.301SS..THydrogen-bonded Turntrans-47.7-50.9178.5-176.8166.1173.3167.60112.9D162 E165 N211D162-K209 IonicContact OD1-NZ 3.7Å; D162-K209 PolarHBondContact OD1-NZ 2.8Å; E165-K209 WeakPolarHBondContact OE2-CE 3.47Å; E165-K209 WeakPolarHBondContact OE2-CG 3.49Å; E165-K209 IonicContact OE2-NZ 3.86Å; K209-N211 PolarHBondContact O-N 3.33Å
210D87Confident86.1Confident113 Ų11354.9 Ų54.960%0.60429%0.286SS*.THydrogen-bonded Turntrans-81.15.5-178.4-20.4-43.8000114.5K208 R227K208-D210 VanDerWaalsContact C-N 3.33Å; K208-D210 PolarHBondContact O-N 2.83Å; D210-R227 PolarHBondContact O-N 3.41Å
211N92.1Very high86.4Confident27 Ų2755.8 Ų55.814%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-113.6153.9-177.7-78.126.4000111.5V207 K208 K209 S224 V225 P226V207-N211 HydrophobicContact CG1-CB 4.04Å; V207-N211 WeakPolarHBondContact CG1-O 3.36Å; K208-N211 HydrophobicContact CB-CB 4.19Å; K208-N211 WeakPolarHBondContact O-CB 3.41Å; K208-N211 PolarHBondContact O-N 3.28Å; K209-N211 PolarHBondContact O-N 3.33Å; N211-S224 VanDerWaalsContact CB-OG 3.31Å; N211-S224 WeakPolarHBondContact CB-OG 3.25Å; N211-S224 PolarHBondContact ND2-OG 3.28Å; N211-V225 CarbonylContact C-O 3.57Å; N211-V225 WeakPolarHBondContact CA-O 3.19Å; N211-V225 WeakPolarHBondContact CB-O 3.37Å; N211-P226 WeakPolarHBondContact OD1-CA 3.41Å
212I92.7Very high86.8Confident3 Ų356.3 Ų56.32%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-113.4163166.866.7177.1000110.4T169 L172 V196 V214 S224 V225 R227 V230T169-I212 HydrophobicContact CG2-CG2 4.04Å; L172-I212 HydrophobicContact CD1-CD1 4.47Å; V196-I212 HydrophobicContact CG1-CB 4.46Å; V196-I212 HydrophobicContact CG1-CD1 3.89Å; V196-I212 HydrophobicContact CG2-CD1 3.87Å; I212-V214 HydrophobicContact CD1-CG1 4.04Å; I212-V214 HydrophobicContact CG1-CG1 4.1Å; I212-S224 WeakPolarHBondContact O-CA 3.32Å; I212-V225 HydrophobicContact CG1-CG2 3.91Å; I212-V225 PolarHBondContact N-O 3.24Å; I212-V225 PolarHBondContact O-N 3.26Å; I212-R227 HydrophobicContact CG2-CB 4.4Å; I212-R227 HydrophobicContact CG2-CG 4.49Å; I212-V230 HydrophobicContact CD1-CB 4.25Å; I212-V230 HydrophobicContact CD1-CG1 3.95Å; I212-V230 HydrophobicContact CD1-CG2 3.89Å; I212-V230 HydrophobicContact CG1-CG2 4.32Å
213L92.7Very high87.5Confident1 Ų158.8 Ų58.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-95.4133.1170-168.366000109.4V197 C201 I205 V207 F222V197-L213 HydrophobicContact CG2-CB 3.98Å; V197-L213 HydrophobicContact CG2-CD2 3.84Å; V197-L213 HydrophobicContact CG2-CG 3.72Å; V197-L213 PolarHBondContact N-O 3.19Å; C201-L213 HydrophobicContact CB-CD2 4.16Å; I205-L213 HydrophobicContact CB-CD1 4.13Å; I205-L213 HydrophobicContact CD1-CD1 4.22Å; I205-L213 HydrophobicContact CG2-CD1 3.71Å; V207-L213 HydrophobicContact CG2-CB 3.99Å; V207-L213 HydrophobicContact CG2-CD1 4.22Å; L213-F222 HydrophobicContact CD1-CB 4.32Å; L213-F222 HydrophobicContact CD2-CD1 4.43Å
214V93.8Very high88.6Confident1 Ų153.6 Ų53.61%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-130.1145.6177-65.60000111.7V177 V179 A194 L195 V196 I212 F222 T223 V225V177-V214 HydrophobicContact CG2-CG1 4.33Å; V179-V214 HydrophobicContact CG2-CG1 4.46Å; V179-V214 HydrophobicContact CG2-CG2 4.39Å; A194-V214 HydrophobicContact CB-CB 3.83Å; A194-V214 HydrophobicContact CB-CG1 4.42Å; A194-V214 HydrophobicContact CB-CG2 4.13Å; L195-V214 CarbonylContact O-C 3.55Å; L195-V214 VanDerWaalsContact O-CA 3.23Å; L195-V214 WeakPolarHBondContact O-CA 3.25Å; V196-V214 HydrophobicContact CG2-CG1 4.14Å; I212-V214 HydrophobicContact CD1-CG1 4.04Å; I212-V214 HydrophobicContact CG1-CG1 4.1Å; V214-F222 CarbonylContact O-C 3.55Å; V214-F222 VanDerWaalsContact O-CA 3.27Å; V214-F222 WeakPolarHBondContact O-CA 3.49Å; V214-T223 WeakPolarHBondContact CG2-O 3.45Å; V214-T223 PolarHBondContact N-O 2.85Å; V214-T223 PolarHBondContact O-N 2.67Å; V214-V225 HydrophobicContact CG1-CG2 3.94Å; V214-V225 HydrophobicContact CG2-CG1 3.87Å; V214-V225 HydrophobicContact CG2-CG2 3.76Å
215R92.8Very high89.3Confident2 Ų246.9 Ų46.91%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-101.1117.7167.7-161.7-177.7-172.4-170.42.1109.9A194 L195 V197 G220 K221 F222 W265 D322 Y396A194-R215 CarbonylContact C-O 3.6Å; A194-R215 VanDerWaalsContact CA-O 3.29Å; A194-R215 WeakPolarHBondContact CA-O 3.44Å; A194-R215 WeakPolarHBondContact CB-O 3.47Å; L195-R215 PolarHBondContact N-O 3.29Å; L195-R215 PolarHBondContact O-N 2.98Å; V197-R215 HydrophobicContact CG1-CB 4.49Å; R215-G220 WeakPolarHBondContact CG-O 3.22Å; R215-G220 PolarHBondContact NE-O 2.89Å; R215-K221 WeakPolarHBondContact CA-O 2.7Å; R215-F222 HydrophobicContact CB-CD1 4Å; R215-F222 HydrophobicContact CB-CE1 3.85Å; R215-F222 HydrophobicContact CG-CD1 4.14Å; R215-F222 HydrophobicContact CG-CE1 3.88Å; R215-F222 HydrophobicContact CG-CZ 4.13Å; R215-W265 HydrophobicContact CB-CZ2 4.42Å; R215-W265 HydrophobicContact CG-CZ2 4.17Å; R215-D322 IonicContact CZ-OD2 2.85Å; R215-D322 IonicContact NE-OD2 3.79Å; R215-D322 IonicContact NH2-OD2 2.76Å; R215-D322 PolarHBondContact NH2-OD2 3.04Å; R215-Y396 PolarHBondContact NH1-OH 3.18Å
216S92.9Very high89.8Confident4 Ų446.8 Ų46.83%0.02825%0.249CC..EExtended strand (participates in β ladder)trans-67.5126.4-179161.60000111.8K218 D219 G220 K221 W265S216-K218 PolarHBondContact O-N 3.42Å; S216-K218 PolarHBondContact OG-N 3.22Å; S216-D219 WeakPolarHBondContact CB-OD1 3.36Å; S216-D219 PolarHBondContact OG-N 2.67Å; S216-D219 VanDerWaalsContact OG-N 3.17Å; S216-D219 PolarHBondContact OG-OD1 2.86Å; S216-G220 WeakPolarHBondContact O-CA 3.2Å; S216-G220 PolarHBondContact O-N 2.95Å; S216-K221 PolarHBondContact N-O 3.24Å; S216-W265 PolarHBondContact O-NE1 3.22Å
217F91Very high90.1Very high0 Ų045.3 Ų45.30%022%0.224CC..THydrogen-bonded Turntrans-68.1-27.9169.9-78.3-84.8000111.6V176 P193 L195 A248 Q251 A252 F255 P262 N264 W265V176-F217 HydrophobicContact CG1-CE2 4.03Å; V176-F217 HydrophobicContact CG2-CE2 4.21Å; V176-F217 HydrophobicContact CG2-CZ 4.2Å; P193-F217 HydrophobicContact CB-CB 4.48Å; P193-F217 HydrophobicContact CB-CD2 4.31Å; P193-F217 HydrophobicContact CG-CB 4.23Å; P193-F217 PolarHBondContact O-N 3.24Å; L195-F217 HydrophobicContact CB-CE2 3.86Å; L195-F217 HydrophobicContact CB-CZ 4.16Å; F217-A248 HydrophobicContact CB-CB 4.35Å; F217-Q251 HydrophobicContact CD1-CB 4.38Å; F217-A252 HydrophobicContact CB-CB 4.41Å; F217-A252 HydrophobicContact CD1-CB 4.12Å; F217-A252 HydrophobicContact CD2-CB 3.63Å; F217-A252 HydrophobicContact CE1-CB 4.32Å; F217-A252 HydrophobicContact CE2-CB 3.85Å; F217-A252 HydrophobicContact CG-CB 3.79Å; F217-A252 HydrophobicContact CZ-CB 4.2Å; F217-F255 HydrophobicContact CE1-CB 3.73Å; F217-F255 HydrophobicContact CE1-CG 4.07Å; F217-F255 HydrophobicContact CZ-CB 3.82Å; F217-F255 AromaticContact CZ-CD1 3.91Å; F217-F255 HydrophobicContact CZ-CD1 3.91Å; F217-F255 AromaticContact CZ-CG 3.89Å; F217-F255 HydrophobicContact CZ-CG 3.89Å; F217-P262 HydrophobicContact CD1-CG 3.64Å; F217-P262 HydrophobicContact CE1-CG 3.76Å; F217-N264 PolarHBondContact O-ND2 2.91Å; F217-W265 AromaticContact CD1-CH2 3.93Å; F217-W265 HydrophobicContact CD1-CH2 3.93Å; F217-W265 AromaticContact CD1-CZ2 3.63Å; F217-W265 HydrophobicContact CD1-CZ2 3.63Å; F217-W265 HydrophobicContact CD2-CH2 4.45Å; F217-W265 HydrophobicContact CD2-CZ2 4.24Å; F217-W265 AromaticContact CE1-CH2 3.49Å; F217-W265 HydrophobicContact CE1-CH2 3.49Å; F217-W265 VanDerWaalsContact CE1-CH2 3.49Å; F217-W265 AromaticContact CE1-CZ2 3.72Å; F217-W265 HydrophobicContact CE1-CZ2 3.72Å; F217-W265 HydrophobicContact CE1-CZ3 4.18Å; F217-W265 HydrophobicContact CE2-CH2 4.07Å; F217-W265 HydrophobicContact CE2-CZ2 4.32Å; F217-W265 HydrophobicContact CG-CH2 4.38Å; F217-W265 AromaticContact CG-CZ2 3.9Å; F217-W265 HydrophobicContact CG-CZ2 3.9Å; F217-W265 AromaticContact CZ-CH2 3.56Å; F217-W265 HydrophobicContact CZ-CH2 3.56Å; F217-W265 HydrophobicContact CZ-CZ2 4.07Å; F217-W265 HydrophobicContact CZ-CZ3 4.4Å
218K89.6Confident90.3Very high93 Ų9350.8 Ų50.840%0.40424%0.244SC..THydrogen-bonded Turntrans-69.3-35.9-175.6179.5-169.4174.4-169.50114.1F192 S216 L245 A248F192-K218 HydrophobicContact CB-CD 4.45Å; S216-K218 PolarHBondContact O-N 3.42Å; S216-K218 PolarHBondContact OG-N 3.22Å; K218-L245 HydrophobicContact CD-CD2 3.97Å; K218-A248 HydrophobicContact CB-CB 3.97Å
219D86.4Confident90.5Very high75 Ų7545.9 Ų45.940%0.40123%0.225SC..THydrogen-bonded Turntrans-144.29.7-176.674.5-33.9000114.9S216 K221S216-D219 WeakPolarHBondContact CB-OD1 3.36Å; S216-D219 PolarHBondContact OG-N 2.67Å; S216-D219 VanDerWaalsContact OG-N 3.17Å; S216-D219 PolarHBondContact OG-OD1 2.86Å; D219-K221 PolarHBondContact O-N 3.26Å; D219-K221 VanDerWaalsContact OD2-CD 3.31Å; D219-K221 WeakPolarHBondContact OD2-CD 3.37Å; D219-K221 WeakPolarHBondContact OD2-CE 3.37Å; D219-K221 IonicContact OD2-NZ 3.13Å; D219-K221 PolarHBondContact OD2-NZ 2.93Å
220G86.3Confident91Very high1 Ų141.2 Ų41.21%0.0121%0.206CC..  trans79.8-10.9173.500000115.9R215 S216R215-G220 WeakPolarHBondContact CG-O 3.22Å; R215-G220 PolarHBondContact NE-O 2.89Å; S216-G220 WeakPolarHBondContact O-CA 3.2Å; S216-G220 PolarHBondContact O-N 2.95Å
221K88.1Confident91Very high115 Ų11540.7 Ų40.750%0.520%0.2SC..  trans-83.3148.8-167.3-63.7-178-163.3134.60113.7R215 S216 D219R215-K221 WeakPolarHBondContact CA-O 2.7Å; S216-K221 PolarHBondContact N-O 3.24Å; D219-K221 PolarHBondContact O-N 3.26Å; D219-K221 VanDerWaalsContact OD2-CD 3.31Å; D219-K221 WeakPolarHBondContact OD2-CD 3.37Å; D219-K221 WeakPolarHBondContact OD2-CE 3.37Å; D219-K221 IonicContact OD2-NZ 3.13Å; D219-K221 PolarHBondContact OD2-NZ 2.93Å
222F90.4Very high90.8Very high11 Ų1143.3 Ų43.35%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-74.9143.2166.2-61.2-77.7000110.8V197 C201 I205 L213 V214 R215 F319 D322 Y396V197-F222 HydrophobicContact CG2-CD1 4.07Å; V197-F222 HydrophobicContact CG2-CE1 4.11Å; C201-F222 HydrophobicContact CB-CE1 4.48Å; I205-F222 HydrophobicContact CD1-CB 3.51Å; I205-F222 WeakPolarHBondContact CD1-O 3.34Å; L213-F222 HydrophobicContact CD1-CB 4.32Å; L213-F222 HydrophobicContact CD2-CD1 4.43Å; V214-F222 CarbonylContact O-C 3.55Å; V214-F222 VanDerWaalsContact O-CA 3.27Å; V214-F222 WeakPolarHBondContact O-CA 3.49Å; R215-F222 HydrophobicContact CB-CD1 4Å; R215-F222 HydrophobicContact CB-CE1 3.85Å; R215-F222 HydrophobicContact CG-CD1 4.14Å; R215-F222 HydrophobicContact CG-CE1 3.88Å; R215-F222 HydrophobicContact CG-CZ 4.13Å; F222-F319 HydrophobicContact CE2-CD2 4.03Å; F222-F319 HydrophobicContact CE2-CE2 4.1Å; F222-F319 AromaticContact CZ-CD2 3.7Å; F222-F319 HydrophobicContact CZ-CD2 3.7Å; F222-F319 AromaticContact CZ-CE2 3.64Å; F222-F319 HydrophobicContact CZ-CE2 3.64Å; F222-D322 HydrophobicContact CD2-CB 4.18Å; F222-D322 HydrophobicContact CE2-CB 3.91Å; F222-Y396 HydrophobicContact CE1-CD2 4.34Å; F222-Y396 HydrophobicContact CE1-CE2 4.35Å; F222-Y396 HydrophobicContact CZ-CD2 4.44Å; F222-Y396 HydrophobicContact CZ-CE2 4.47Å
223T91.6Very high90.2Very high61 Ų6143.5 Ų43.537%0.37421%0.212SC..EExtended strand (participates in β ladder)trans-152.4139.1175.4-63.80000109.5V214 V225V214-T223 WeakPolarHBondContact CG2-O 3.45Å; V214-T223 PolarHBondContact N-O 2.85Å; V214-T223 PolarHBondContact O-N 2.67Å; T223-V225 HydrophobicContact CG2-CG1 3.75Å
224S94.1Very high89Confident28 Ų2846.3 Ų46.320%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-89.3123.9172.4-178.50000110.2N211 I212N211-S224 VanDerWaalsContact CB-OG 3.31Å; N211-S224 WeakPolarHBondContact CB-OG 3.25Å; N211-S224 PolarHBondContact ND2-OG 3.28Å; I212-S224 WeakPolarHBondContact O-CA 3.32Å
225V93.6Very high87.6Confident10 Ų1051.1 Ų51.16%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-130.4144.7-171.3-58.30000110.7V179 N211 I212 V214 T223 R227 V230V179-V225 HydrophobicContact CG1-CB 4.02Å; V179-V225 HydrophobicContact CG1-CG1 4.01Å; V179-V225 HydrophobicContact CG1-CG2 4.08Å; V179-V225 HydrophobicContact CG2-CG2 4.47Å; N211-V225 CarbonylContact C-O 3.57Å; N211-V225 WeakPolarHBondContact CA-O 3.19Å; N211-V225 WeakPolarHBondContact CB-O 3.37Å; I212-V225 HydrophobicContact CG1-CG2 3.91Å; I212-V225 PolarHBondContact N-O 3.24Å; I212-V225 PolarHBondContact O-N 3.26Å; V214-V225 HydrophobicContact CG1-CG2 3.94Å; V214-V225 HydrophobicContact CG2-CG1 3.87Å; V214-V225 HydrophobicContact CG2-CG2 3.76Å; T223-V225 HydrophobicContact CG2-CG1 3.75Å; V225-R227 PolarHBondContact O-N 2.7Å; V225-V230 HydrophobicContact CG2-CG2 3.7Å
226P92.8Very high85.9Confident42 Ų4258.1 Ų58.127%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-66.8133.8-179.5-18.433.1000111.1N211 K228 D229N211-P226 WeakPolarHBondContact OD1-CA 3.41Å; P226-K228 HydrophobicContact CB-CG 3.97Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.11Å; P226-D229 WeakPolarHBondContact CB-OD2 3.41Å; P226-D229 VanDerWaalsContact CG-OD2 3.28Å; P226-D229 WeakPolarHBondContact CG-OD2 3.39Å; P226-D229 PolarHBondContact O-N 2.98Å
227R89.8Confident84.4Confident60 Ų6062.3 Ų62.323%0.22633%0.326CS..G310 helixtrans-54.2-37-175.6-176-177.9175.376.710.7113.1Q168 D210 I212 V225 D229 V230Q168-R227 VanDerWaalsContact C-NH1 3.28Å; Q168-R227 PolarHBondContact O-NH1 2.91Å; Q168-R227 PolarHBondContact O-NH2 3.07Å; D210-R227 PolarHBondContact O-N 3.41Å; I212-R227 HydrophobicContact CG2-CB 4.4Å; I212-R227 HydrophobicContact CG2-CG 4.49Å; V225-R227 PolarHBondContact O-N 2.7Å; R227-D229 PolarHBondContact O-N 2.76Å; R227-V230 WeakPolarHBondContact O-CB 3.5Å; R227-V230 PolarHBondContact O-N 3.25Å
228K90.3Very high83Confident158 Ų15865 Ų6569%0.68734%0.342SS*.G310 helixtrans-63.7-14.617758.4157.8-17685.80115.6P226P226-K228 HydrophobicContact CB-CG 3.97Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.11Å
229D91.3Very high82Confident44 Ų4462.9 Ų62.924%0.23534%0.338CS..G310 helixtrans-103.315.5-178.8-55.3-34.3000110.7V179 D180 P226 R227V179-D229 WeakPolarHBondContact CA-O 3.32Å; D180-D229 PolarHBondContact N-O 3.02Å; P226-D229 WeakPolarHBondContact CB-OD2 3.41Å; P226-D229 VanDerWaalsContact CG-OD2 3.28Å; P226-D229 WeakPolarHBondContact CG-OD2 3.39Å; P226-D229 PolarHBondContact O-N 2.98Å; R227-D229 PolarHBondContact O-N 2.76Å
230V91.4Very high81.5Confident16 Ų1668.7 Ų68.710%0.09736%0.36CS..EExtended strand (participates in β ladder)trans-124.6132.8-173.4-174.50000111.1V177 C178 V179 I212 V225 R227V177-V230 HydrophobicContact CB-CG1 3.53Å; V177-V230 HydrophobicContact CG1-CG1 3.74Å; V177-V230 HydrophobicContact CG2-CG1 3.63Å; C178-V230 WeakPolarHBondContact O-CA 3.38Å; V179-V230 HydrophobicContact CG1-CG2 4.38Å; V179-V230 HydrophobicContact CG2-CG1 4.47Å; V179-V230 HydrophobicContact CG2-CG2 4.25Å; I212-V230 HydrophobicContact CD1-CB 4.25Å; I212-V230 HydrophobicContact CD1-CG1 3.95Å; I212-V230 HydrophobicContact CD1-CG2 3.89Å; I212-V230 HydrophobicContact CG1-CG2 4.32Å; V225-V230 HydrophobicContact CG2-CG2 3.7Å; R227-V230 WeakPolarHBondContact O-CB 3.5Å; R227-V230 PolarHBondContact O-N 3.25Å
231H88.3Confident81.2Confident103 Ų10370.4 Ų70.448%0.47737%0.371SS..EExtended strand (participates in β ladder)trans-133.3130.6-175.6-57.9106.6000110.9V177 C178 D180V177-H231 CarbonylContact C-O 3.47Å; V177-H231 VanDerWaalsContact CA-O 3.25Å; V177-H231 WeakPolarHBondContact CA-O 3.46Å; V177-H231 WeakPolarHBondContact CB-O 3.49Å; C178-H231 PolarHBondContact N-O 2.92Å; C178-H231 PolarHBondContact O-N 2.85Å; D180-H231 IonicContact OD2-CE1 2.8Å; D180-H231 PolarHBondContact OD2-CE1 3.23Å; D180-H231 VanDerWaalsContact OD2-CE1 3.29Å; D180-H231 IonicContact OD2-ND1 3.88Å; D180-H231 PolarHBondContact OD2-ND1 2.74Å
232E86.6Confident81Confident82 Ų8269 Ų6938%0.38337%0.369SS..EExtended strand (participates in β ladder)trans-67.7132.4178.5-174.7173.716200112.2K175 T234K175-E232 VanDerWaalsContact CD-CD 3.49Å; K175-E232 HydrophobicContact CD-CG 4.25Å; K175-E232 VanDerWaalsContact CD-OE2 3.3Å; K175-E232 WeakPolarHBondContact CD-OE2 3.26Å; K175-E232 WeakPolarHBondContact CE-OE2 3.46Å; K175-E232 IonicContact NZ-OE1 3.29Å; K175-E232 IonicContact NZ-OE2 3.8Å; K175-E232 PolarHBondContact NZ-OE2 3.09Å; E232-T234 VanDerWaalsContact C-N 3.29Å; E232-T234 HydrophobicContact CG-CG2 4.42Å; E232-T234 PolarHBondContact O-N 3.04Å
233I80.9Confident80.6Confident6 Ų673.1 Ų73.13%0.03141%0.405CS..  trans-8078.3180-48.5-167.7000110.3V176 C178 P193 V238 F249 L253V176-I233 HydrophobicContact CG1-CD1 3.83Å; V176-I233 HydrophobicContact CG1-CG1 4.23Å; V176-I233 PolarHBondContact O-N 3.3Å; C178-I233 HydrophobicContact CB-CG1 4.43Å; C178-I233 VanDerWaalsContact SG-CD1 3.51Å; P193-I233 HydrophobicContact CB-CD1 4.26Å; I233-V238 HydrophobicContact CG2-CG2 4.16Å; I233-F249 HydrophobicContact CD1-CD2 4.48Å; I233-F249 HydrophobicContact CD1-CE2 4.1Å; I233-F249 HydrophobicContact CG2-CE2 4.09Å; I233-F249 HydrophobicContact CG2-CZ 4.47Å; I233-L253 HydrophobicContact CG2-CD2 4.45Å
234T67.7Low80.3Confident61 Ų6176.2 Ų76.237%0.37442%0.424SS..  trans-75.3150.8167.851.30000111E232 D236 T237E232-T234 VanDerWaalsContact C-N 3.29Å; E232-T234 HydrophobicContact CG-CG2 4.42Å; E232-T234 PolarHBondContact O-N 3.04Å; T234-D236 PolarHBondContact O-N 2.92Å; T234-T237 PolarHBondContact O-N 2.96Å; T234-T237 PolarHBondContact O-OG1 3.09Å; T234-T237 PolarHBondContact OG1-OG1 2.98Å
235S63.6Low80Confident102 Ų10275.6 Ų75.671%0.71342%0.418SS*.THydrogen-bonded Turntrans-53.3-30.3-176.349.40000114.3
236D57.5Low79.7Confident149 Ų14980.4 Ų80.480%0.79744%0.438SS*.THydrogen-bonded Turntrans-98.9-8.7-165.8-60.48.5000112.4T234T234-D236 PolarHBondContact O-N 2.92Å
237T60.6Low79.6Confident91 Ų9185.3 Ų85.356%0.55846%0.457SS*.THydrogen-bonded Turntrans-115.44.4-17662.40000114.5T234 P239T234-T237 PolarHBondContact O-N 2.96Å; T234-T237 PolarHBondContact O-OG1 3.09Å; T234-T237 PolarHBondContact OG1-OG1 2.98Å; T237-P239 VanDerWaalsContact O-CD 3.28Å; T237-P239 WeakPolarHBondContact O-CD 3.29Å; T237-P239 VanDerWaalsContact O-N 3.15Å
238V62.9Low79.6Confident56 Ų5682.7 Ų82.734%0.33945%0.449SS..  trans-47.1113.8-177.1169.10000113.4I233 F249I233-V238 HydrophobicContact CG2-CG2 4.16Å; V238-F249 HydrophobicContact CB-CZ 4.29Å; V238-F249 HydrophobicContact CG1-CE1 3.82Å; V238-F249 HydrophobicContact CG1-CE2 4.14Å; V238-F249 HydrophobicContact CG1-CZ 3.31Å; V238-F249 HydrophobicContact CG2-CZ 4.05Å
239P68.7Low79.6Confident50 Ų5075.6 Ų75.633%0.32542%0.418SS..PPolyproline II helixtrans-70.3136.9169.4-12.928.5000109.8W191 T237 P241W191-P239 HydrophobicContact CH2-CB 4.42Å; W191-P239 HydrophobicContact CZ2-CB 3.74Å; W191-P239 HydrophobicContact CZ2-CG 4.43Å; W191-P239 WeakPolarHBondContact CZ2-O 3.27Å; T237-P239 VanDerWaalsContact O-CD 3.28Å; T237-P239 WeakPolarHBondContact O-CD 3.29Å; T237-P239 VanDerWaalsContact O-N 3.15Å; P239-P241 VanDerWaalsContact O-CD 3.31Å; P239-P241 WeakPolarHBondContact O-CD 3.15Å
240K76.1Confident79.5Confident196 Ų19676.9 Ų76.985%0.85243%0.425SS*.PPolyproline II helixtrans-66.7120.1177.3-70-179.6179.3175.90109.9
241P79.5Confident79.4Confident38 Ų3877.5 Ų77.525%0.24743%0.427CS..PPolyproline II helixtrans-70.9133.8-179.427.6-34.2000111.6W191 P239 L245 K246 F249W191-P241 HydrophobicContact CH2-CB 4.05Å; W191-P241 HydrophobicContact CZ2-CB 4.06Å; P239-P241 VanDerWaalsContact O-CD 3.31Å; P239-P241 WeakPolarHBondContact O-CD 3.15Å; P241-L245 HydrophobicContact CB-CB 4.04Å; P241-K246 HydrophobicContact CG-CB 4.35Å; P241-K246 HydrophobicContact CG-CG 4.17Å; P241-F249 HydrophobicContact CB-CB 4.15Å; P241-F249 HydrophobicContact CB-CG 4.39Å; P241-F249 HydrophobicContact CG-CB 4.22Å; P241-F249 HydrophobicContact CG-CD1 3.92Å; P241-F249 HydrophobicContact CG-CG 4.16Å
242D82.4Confident79.5Confident84 Ų8472.7 Ų72.745%0.44940%0.404SS..PPolyproline II helixtrans-57.3150.6161.7-80.3-26.3000108.6K188 V244 L245 K246K188-D242 IonicContact NZ-OD1 2.65Å; K188-D242 IonicContact NZ-OD2 3.7Å; K188-D242 PolarHBondContact NZ-OD2 3.36Å; D242-V244 PolarHBondContact O-N 2.79Å; D242-L245 PolarHBondContact O-N 3.47Å; D242-K246 PolarHBondContact O-N 2.7Å
243A83.7Confident79.6Confident99 Ų9971 Ų7182%0.81840%0.398SS*.THydrogen-bonded Turntrans-54.5-27.2-170.900000115.2
244V84.9Confident79.9Confident125 Ų12576 Ų7676%0.75842%0.421SS*.THydrogen-bonded Turntrans-74-25.9176.6-177.70000112.9D242D242-V244 PolarHBondContact O-N 2.79Å
245L87.4Confident81Confident15 Ų1573 Ų738%0.07940%0.403CS..THydrogen-bonded Turntrans-94.3-15.5179.4-70.7166.8000112.8W191 F192 K218 P241 D242 Q247 A248 F249W191-L245 HydrophobicContact CD2-CD1 4.47Å; W191-L245 WeakPolarHBondContact O-CD1 3.24Å; F192-L245 HydrophobicContact CB-CD2 4.24Å; K218-L245 HydrophobicContact CD-CD2 3.97Å; P241-L245 HydrophobicContact CB-CB 4.04Å; D242-L245 PolarHBondContact O-N 3.47Å; L245-Q247 PolarHBondContact O-N 2.74Å; L245-A248 PolarHBondContact O-N 2.99Å; L245-A248 VanDerWaalsContact O-N 3.15Å; L245-F249 WeakPolarHBondContact O-CB 3.39Å; L245-F249 PolarHBondContact O-N 2.92Å
246K88.1Confident82Confident111 Ų11172.8 Ų72.848%0.48339%0.39SS..Hα-helixtrans-54.9-48.5-171.6-163.8-158171.5-146.80112.7P241 D242 A248 F249 D250P241-K246 HydrophobicContact CG-CB 4.35Å; P241-K246 HydrophobicContact CG-CG 4.17Å; D242-K246 PolarHBondContact O-N 2.7Å; K246-A248 PolarHBondContact O-N 2.87Å; K246-F249 PolarHBondContact O-N 2.71Å; K246-F249 VanDerWaalsContact O-N 3.16Å; K246-D250 WeakPolarHBondContact CE-OD2 3.3Å; K246-D250 IonicContact NZ-OD2 3.33Å; K246-D250 PolarHBondContact NZ-OD2 3.33Å; K246-D250 WeakPolarHBondContact O-CB 3.4Å; K246-D250 VanDerWaalsContact O-CG 3.24Å; K246-D250 PolarHBondContact O-N 3.48Å
247Q90.3Very high83.3Confident145 Ų14573.7 Ų73.768%0.67839%0.387SS*.Hα-helixtrans-59.1-46.4178.9-179.2178.7-300112.3L245 F249 D250 Q251L245-Q247 PolarHBondContact O-N 2.74Å; Q247-F249 VanDerWaalsContact C-N 3.26Å; Q247-F249 PolarHBondContact O-N 2.59Å; Q247-D250 PolarHBondContact O-N 2.59Å; Q247-Q251 WeakPolarHBondContact O-CB 3.48Å; Q247-Q251 VanDerWaalsContact O-CG 3.29Å; Q247-Q251 WeakPolarHBondContact O-CG 3.41Å; Q247-Q251 PolarHBondContact O-N 3.11Å
248A90Very high84.5Confident5 Ų572.8 Ų72.84%0.04139%0.385CS..Hα-helixtrans-65-31.7178.400000112.5P193 F217 K218 L245 K246 A252P193-A248 HydrophobicContact CG-CB 3.96Å; P193-A248 WeakPolarHBondContact CG-O 3.49Å; F217-A248 HydrophobicContact CB-CB 4.35Å; K218-A248 HydrophobicContact CB-CB 3.97Å; L245-A248 PolarHBondContact O-N 2.99Å; L245-A248 VanDerWaalsContact O-N 3.15Å; K246-A248 PolarHBondContact O-N 2.87Å; A248-A252 WeakPolarHBondContact O-CB 3.39Å; A248-A252 PolarHBondContact O-N 3.19Å
249F89.7Confident85.5Confident9 Ų974.9 Ų74.94%0.03939%0.386CS..Hα-helixtrans-76.4-42.4176.4-178.1-97.9000112.3W191 P193 I233 V238 P241 L245 K246 Q247 Q251 A252 L253W191-F249 AromaticContact CH2-CD2 3.68Å; W191-F249 HydrophobicContact CH2-CD2 3.68Å; W191-F249 HydrophobicContact CH2-CE2 4.23Å; W191-F249 HydrophobicContact CH2-CG 4.24Å; W191-F249 AromaticContact CZ3-CD2 3.87Å; W191-F249 HydrophobicContact CZ3-CD2 3.87Å; W191-F249 HydrophobicContact CZ3-CE2 4.49Å; P193-F249 HydrophobicContact CG-CB 4.39Å; I233-F249 HydrophobicContact CD1-CD2 4.48Å; I233-F249 HydrophobicContact CD1-CE2 4.1Å; I233-F249 HydrophobicContact CG2-CE2 4.09Å; I233-F249 HydrophobicContact CG2-CZ 4.47Å; V238-F249 HydrophobicContact CB-CZ 4.29Å; V238-F249 HydrophobicContact CG1-CE1 3.82Å; V238-F249 HydrophobicContact CG1-CE2 4.14Å; V238-F249 HydrophobicContact CG1-CZ 3.31Å; V238-F249 HydrophobicContact CG2-CZ 4.05Å; P241-F249 HydrophobicContact CB-CB 4.15Å; P241-F249 HydrophobicContact CB-CG 4.39Å; P241-F249 HydrophobicContact CG-CB 4.22Å; P241-F249 HydrophobicContact CG-CD1 3.92Å; P241-F249 HydrophobicContact CG-CG 4.16Å; L245-F249 WeakPolarHBondContact O-CB 3.39Å; L245-F249 PolarHBondContact O-N 2.92Å; K246-F249 PolarHBondContact O-N 2.71Å; K246-F249 VanDerWaalsContact O-N 3.16Å; Q247-F249 VanDerWaalsContact C-N 3.26Å; Q247-F249 PolarHBondContact O-N 2.59Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.42Å; F249-A252 PolarHBondContact O-N 3.11Å; F249-L253 HydrophobicContact CD1-CD1 4.13Å; F249-L253 HydrophobicContact CD1-CG 4.39Å; F249-L253 HydrophobicContact CE1-CD1 3.38Å; F249-L253 HydrophobicContact CE1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CG 3.81Å; F249-L253 HydrophobicContact CE2-CG 4.43Å; F249-L253 HydrophobicContact CZ-CD1 3.75Å; F249-L253 HydrophobicContact CZ-CD2 3.99Å; F249-L253 HydrophobicContact CZ-CG 3.79Å; F249-L253 PolarHBondContact O-N 3.01Å
250D88.8Confident86.2Confident71 Ų7174.5 Ų74.538%0.3839%0.387SS..Hα-helixtrans-59.5-43.2173.9-67.5-20.9000109.7K246 Q247 L253 E254K246-D250 WeakPolarHBondContact CE-OD2 3.3Å; K246-D250 IonicContact NZ-OD2 3.33Å; K246-D250 PolarHBondContact NZ-OD2 3.33Å; K246-D250 WeakPolarHBondContact O-CB 3.4Å; K246-D250 VanDerWaalsContact O-CG 3.24Å; K246-D250 PolarHBondContact O-N 3.48Å; Q247-D250 PolarHBondContact O-N 2.59Å; D250-L253 PolarHBondContact O-N 3.44Å; D250-E254 PolarHBondContact O-N 2.79Å
251Q90.9Very high86.6Confident30 Ų3066.4 Ų66.414%0.1435%0.353CS..Hα-helixtrans-62.1-41.2172.3-74.7174.9-41.700113.6F217 Q247 F249 E254 F255 P262 N264F217-Q251 HydrophobicContact CD1-CB 4.38Å; Q247-Q251 WeakPolarHBondContact O-CB 3.48Å; Q247-Q251 VanDerWaalsContact O-CG 3.29Å; Q247-Q251 WeakPolarHBondContact O-CG 3.41Å; Q247-Q251 PolarHBondContact O-N 3.11Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.42Å; Q251-E254 PolarHBondContact O-N 2.93Å; Q251-F255 PolarHBondContact O-N 3.31Å; Q251-P262 HydrophobicContact CB-CG 4.35Å; Q251-N264 PolarHBondContact NE2-OD1 3.01Å
252A89.4Confident86.8Confident1 Ų165 Ų651%0.00834%0.344CS..Hα-helixtrans-66.9-37.7178.800000112.1V176 P193 F217 A248 F249 E254 H256V176-A252 HydrophobicContact CG1-CB 3.82Å; P193-A252 HydrophobicContact CB-CB 3.7Å; P193-A252 HydrophobicContact CG-CB 4.35Å; F217-A252 HydrophobicContact CB-CB 4.41Å; F217-A252 HydrophobicContact CD1-CB 4.12Å; F217-A252 HydrophobicContact CD2-CB 3.63Å; F217-A252 HydrophobicContact CE1-CB 4.32Å; F217-A252 HydrophobicContact CE2-CB 3.85Å; F217-A252 HydrophobicContact CG-CB 3.79Å; F217-A252 HydrophobicContact CZ-CB 4.2Å; A248-A252 WeakPolarHBondContact O-CB 3.39Å; A248-A252 PolarHBondContact O-N 3.19Å; F249-A252 PolarHBondContact O-N 3.11Å; A252-E254 VanDerWaalsContact C-N 3.34Å; A252-H256 PolarHBondContact O-N 2.74Å
253L87.8Confident86.7Confident46 Ų4664.8 Ų64.824%0.24135%0.354CS..Hα-helixtrans-67.7-31.9171.1-73.1-174.8000112.9I233 F249 D250 K257I233-L253 HydrophobicContact CG2-CD2 4.45Å; F249-L253 HydrophobicContact CD1-CD1 4.13Å; F249-L253 HydrophobicContact CD1-CG 4.39Å; F249-L253 HydrophobicContact CE1-CD1 3.38Å; F249-L253 HydrophobicContact CE1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CG 3.81Å; F249-L253 HydrophobicContact CE2-CG 4.43Å; F249-L253 HydrophobicContact CZ-CD1 3.75Å; F249-L253 HydrophobicContact CZ-CD2 3.99Å; F249-L253 HydrophobicContact CZ-CG 3.79Å; F249-L253 PolarHBondContact O-N 3.01Å; D250-L253 PolarHBondContact O-N 3.44Å; L253-K257 WeakPolarHBondContact O-CD 3.33Å; L253-K257 VanDerWaalsContact O-CG 3.23Å; L253-K257 WeakPolarHBondContact O-CG 3.43Å; L253-K257 PolarHBondContact O-N 2.77Å
254E89.1Confident86.5Confident111 Ų11162.7 Ų62.752%0.51933%0.329SS..Hα-helixtrans-69.2-49.2175.4-166.9170.8-160.600110.8D250 Q251 A252 H256 K257 S258 A260D250-E254 PolarHBondContact O-N 2.79Å; Q251-E254 PolarHBondContact O-N 2.93Å; A252-E254 VanDerWaalsContact C-N 3.34Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.99Å; E254-K257 PolarHBondContact O-N 3.44Å; E254-S258 PolarHBondContact O-N 2.92Å; E254-S258 PolarHBondContact O-OG 3.4Å; E254-S258 VanDerWaalsContact O-OG 3.06Å; E254-A260 HydrophobicContact CG-CB 4.27Å
255F88.9Confident86.4Confident0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-57-40.7174-176.4-90.3000112.3V176 L195 F217 Q251 K257 R259 I261 W265 I402V176-F255 HydrophobicContact CG2-CD1 3.79Å; V176-F255 HydrophobicContact CG2-CE1 4.43Å; L195-F255 HydrophobicContact CD1-CD1 4.42Å; L195-F255 HydrophobicContact CD1-CE1 3.65Å; L195-F255 HydrophobicContact CD1-CZ 4.3Å; L195-F255 HydrophobicContact CD2-CE1 3.82Å; L195-F255 HydrophobicContact CD2-CE2 4.46Å; L195-F255 HydrophobicContact CD2-CZ 3.71Å; L195-F255 HydrophobicContact CG-CE1 4.36Å; F217-F255 HydrophobicContact CE1-CB 3.73Å; F217-F255 HydrophobicContact CE1-CG 4.07Å; F217-F255 HydrophobicContact CZ-CB 3.82Å; F217-F255 AromaticContact CZ-CD1 3.91Å; F217-F255 HydrophobicContact CZ-CD1 3.91Å; F217-F255 AromaticContact CZ-CG 3.89Å; F217-F255 HydrophobicContact CZ-CG 3.89Å; Q251-F255 PolarHBondContact O-N 3.31Å; F255-K257 VanDerWaalsContact C-N 3.3Å; F255-K257 PolarHBondContact O-N 3.26Å; F255-R259 WeakPolarHBondContact O-CA 3.45Å; F255-R259 PolarHBondContact O-N 2.62Å; F255-I261 HydrophobicContact CD2-CG1 4.23Å; F255-I261 HydrophobicContact CE2-CG1 3.99Å; F255-W265 HydrophobicContact CE2-CZ3 4.47Å; F255-I402 HydrophobicContact CE2-CD1 4.46Å; F255-I402 HydrophobicContact CE2-CG1 4.2Å; F255-I402 HydrophobicContact CZ-CG1 4.23Å
256H85.5Confident86.1Confident97 Ų9758.5 Ų58.545%0.44930%0.3SS..Hα-helixtrans-60.6-37.3174.2-174.5-19.3000112.4V176 A252 E254V176-H256 HydrophobicContact CG2-CB 4.18Å; A252-H256 PolarHBondContact O-N 2.74Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.99Å
257K85.6Confident85.7Confident168 Ų16855.1 Ų55.173%0.7329%0.289SS*.Hα-helixtrans-83.7-38-174.2-73.3167.9-173.7171.70114.4L253 E254 F255L253-K257 WeakPolarHBondContact O-CD 3.33Å; L253-K257 VanDerWaalsContact O-CG 3.23Å; L253-K257 WeakPolarHBondContact O-CG 3.43Å; L253-K257 PolarHBondContact O-N 2.77Å; E254-K257 PolarHBondContact O-N 3.44Å; F255-K257 VanDerWaalsContact C-N 3.3Å; F255-K257 PolarHBondContact O-N 3.26Å
258S84.8Confident84.8Confident72 Ų7256.8 Ų56.850%0.50330%0.297SS..Hα-helixtrans-130.91-169.4590000114.1E254 A260E254-S258 PolarHBondContact O-N 2.92Å; E254-S258 PolarHBondContact O-OG 3.4Å; E254-S258 VanDerWaalsContact O-OG 3.06Å; S258-A260 PolarHBondContact O-N 2.99Å; S258-A260 VanDerWaalsContact OG-CB 3.26Å; S258-A260 WeakPolarHBondContact OG-CB 3.06Å; S258-A260 PolarHBondContact OG-N 3.14Å
259R84.5Confident83.4Confident99 Ų9959.3 Ų59.337%0.37431%0.309SS..  trans53.916.5-167.9-60.2-69.2177.4170.8-6.7113.6G174 F255 I261 A400G174-R259 PolarHBondContact O-NH1 3.14Å; F255-R259 WeakPolarHBondContact O-CA 3.45Å; F255-R259 PolarHBondContact O-N 2.62Å; R259-I261 PolarHBondContact O-N 3.02Å; R259-A400 PolarHBondContact NH1-O 3.06Å
260A83.1Confident81.4Confident42 Ų4266.5 Ų66.535%0.34734%0.34SS..PPolyproline II helixtrans-65.3126.617800000110.9E254 S258E254-A260 HydrophobicContact CG-CB 4.27Å; S258-A260 PolarHBondContact O-N 2.99Å; S258-A260 VanDerWaalsContact OG-CB 3.26Å; S258-A260 WeakPolarHBondContact OG-CB 3.06Å; S258-A260 PolarHBondContact OG-N 3.14Å
261I83.5Confident79.2Confident26 Ų2671.7 Ų71.713%0.13336%0.362CS..PPolyproline II helixtrans-88.8127.4-169.9-72.5172000111F255 R259 W265 K266 Q315 I402F255-I261 HydrophobicContact CD2-CG1 4.23Å; F255-I261 HydrophobicContact CE2-CG1 3.99Å; R259-I261 PolarHBondContact O-N 3.02Å; I261-W265 HydrophobicContact CG2-CB 3.87Å; I261-W265 HydrophobicContact CG2-CE3 4.2Å; I261-K266 HydrophobicContact CG2-CG 4.36Å; I261-Q315 VanDerWaalsContact CD1-CD 3.48Å; I261-Q315 HydrophobicContact CG2-CG 4.32Å; I261-I402 HydrophobicContact CD1-CB 4.43Å; I261-I402 HydrophobicContact CD1-CD1 3.69Å; I261-I402 HydrophobicContact CD1-CG1 3.92Å; I261-I402 HydrophobicContact CD1-CG2 3.64Å; I261-I402 HydrophobicContact CG1-CD1 4.45Å
262P84.8Confident76.4Confident9 Ų976.4 Ų76.46%0.05839%0.388CS..PPolyproline II helixtrans-52.9141.7-179.3-26.532.5000113.5F217 Q251 N264 W265F217-P262 HydrophobicContact CD1-CG 3.64Å; F217-P262 HydrophobicContact CE1-CG 3.76Å; Q251-P262 HydrophobicContact CB-CG 4.35Å; P262-N264 VanDerWaalsContact CB-OD1 3.24Å; P262-N264 WeakPolarHBondContact CB-OD1 3.43Å; P262-N264 PolarHBondContact O-N 2.95Å; P262-W265 HydrophobicContact CB-CD2 4.39Å; P262-W265 HydrophobicContact CB-CG 4.16Å; P262-W265 HydrophobicContact CG-CD2 3.99Å; P262-W265 HydrophobicContact CG-CE3 4.29Å; P262-W265 HydrophobicContact CG-CG 4.29Å; P262-W265 WeakPolarHBondContact O-CA 3.42Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 2.83Å
263A80.3Confident74.2Confident80 Ų8080.2 Ų80.266%0.66142%0.415SS*.G310 helixtrans-57.2-34.9177.600000112.8W265 K266A263-W265 PolarHBondContact O-N 3.33Å; A263-K266 PolarHBondContact O-N 3Å; A263-K266 VanDerWaalsContact O-N 3.08Å
264N79.4Confident72Confident54 Ų5483 Ų8329%0.28944%0.438SS..G310 helixtrans-70.5-3.6174.955-60.9000114.6F217 Q251 P262F217-N264 PolarHBondContact O-ND2 2.91Å; Q251-N264 PolarHBondContact NE2-OD1 3.01Å; P262-N264 VanDerWaalsContact CB-OD1 3.24Å; P262-N264 WeakPolarHBondContact CB-OD1 3.43Å; P262-N264 PolarHBondContact O-N 2.95Å
265W82.8Confident69.3Low0 Ų083.5 Ų83.50%045%0.454CS..G310 helixtrans-102.17.3171.2-65.97.8000112.5L195 R215 S216 F217 F255 I261 P262 A263 K318 Y396L195-W265 HydrophobicContact CB-CH2 3.83Å; L195-W265 HydrophobicContact CD2-CH2 3.7Å; L195-W265 HydrophobicContact CD2-CZ3 3.7Å; L195-W265 HydrophobicContact CG-CH2 4.46Å; R215-W265 HydrophobicContact CB-CZ2 4.42Å; R215-W265 HydrophobicContact CG-CZ2 4.17Å; S216-W265 PolarHBondContact O-NE1 3.22Å; F217-W265 AromaticContact CD1-CH2 3.93Å; F217-W265 HydrophobicContact CD1-CH2 3.93Å; F217-W265 AromaticContact CD1-CZ2 3.63Å; F217-W265 HydrophobicContact CD1-CZ2 3.63Å; F217-W265 HydrophobicContact CD2-CH2 4.45Å; F217-W265 HydrophobicContact CD2-CZ2 4.24Å; F217-W265 AromaticContact CE1-CH2 3.49Å; F217-W265 HydrophobicContact CE1-CH2 3.49Å; F217-W265 VanDerWaalsContact CE1-CH2 3.49Å; F217-W265 AromaticContact CE1-CZ2 3.72Å; F217-W265 HydrophobicContact CE1-CZ2 3.72Å; F217-W265 HydrophobicContact CE1-CZ3 4.18Å; F217-W265 HydrophobicContact CE2-CH2 4.07Å; F217-W265 HydrophobicContact CE2-CZ2 4.32Å; F217-W265 HydrophobicContact CG-CH2 4.38Å; F217-W265 AromaticContact CG-CZ2 3.9Å; F217-W265 HydrophobicContact CG-CZ2 3.9Å; F217-W265 AromaticContact CZ-CH2 3.56Å; F217-W265 HydrophobicContact CZ-CH2 3.56Å; F217-W265 HydrophobicContact CZ-CZ2 4.07Å; F217-W265 HydrophobicContact CZ-CZ3 4.4Å; F255-W265 HydrophobicContact CE2-CZ3 4.47Å; I261-W265 HydrophobicContact CG2-CB 3.87Å; I261-W265 HydrophobicContact CG2-CE3 4.2Å; P262-W265 HydrophobicContact CB-CD2 4.39Å; P262-W265 HydrophobicContact CB-CG 4.16Å; P262-W265 HydrophobicContact CG-CD2 3.99Å; P262-W265 HydrophobicContact CG-CE3 4.29Å; P262-W265 HydrophobicContact CG-CG 4.29Å; P262-W265 WeakPolarHBondContact O-CA 3.42Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 2.83Å; A263-W265 PolarHBondContact O-N 3.33Å; W265-K318 WeakPolarHBondContact O-CB 3.15Å; W265-Y396 WeakPolarHBondContact CZ3-OH 3.35Å
266K81.4Confident66.4Low52 Ų5288.6 Ų88.623%0.22649%0.49CS..SBendtrans-120.3146.5176.1-56.2-164.9-166.7-168.70110.1I261 A263 N311 Q314 Q315I261-K266 HydrophobicContact CG2-CG 4.36Å; A263-K266 PolarHBondContact O-N 3Å; A263-K266 VanDerWaalsContact O-N 3.08Å; K266-N311 WeakPolarHBondContact CE-OD1 3.11Å; K266-N311 VanDerWaalsContact NZ-CG 3.35Å; K266-N311 PolarHBondContact NZ-ND2 2.65Å; K266-N311 PolarHBondContact NZ-OD1 3.38Å; K266-Q314 HydrophobicContact CB-CB 4.07Å; K266-Q315 HydrophobicContact CG-CG 4.15Å
267T80Confident64.2Low40 Ų4093.9 Ų93.925%0.24552%0.515CS..  trans-92.8137.7171.1-59.40000109.8L269 Q314 K318T267-L269 PolarHBondContact O-N 2.93Å; T267-L269 VanDerWaalsContact O-N 3.09Å; T267-Q314 PolarHBondContact N-O 2.81Å; T267-Q314 WeakPolarHBondContact O-CB 3.5Å; T267-Q314 VanDerWaalsContact O-CG 3.32Å; T267-Q314 WeakPolarHBondContact O-CG 3.29Å; T267-K318 VanDerWaalsContact OG1-CA 3.31Å; T267-K318 WeakPolarHBondContact OG1-CA 3.39Å; T267-K318 WeakPolarHBondContact OG1-CB 3.36Å; T267-K318 WeakPolarHBondContact OG1-CD 3.4Å; T267-K318 PolarHBondContact OG1-N 3.08Å
268E70.3Confident61.7Low181 Ų18189.8 Ų89.885%0.84651%0.512SS*.  trans-66105.4166.4-70.3177.4-172.100109.4
269L61.7Low59.3Low58 Ų5894.6 Ų94.630%0.30453%0.527SS..  trans-79.3116.4167.6-65.6176.2000107.6T267 E310 L313 Q314T267-L269 PolarHBondContact O-N 2.93Å; T267-L269 VanDerWaalsContact O-N 3.09Å; L269-E310 HydrophobicContact CD1-CG 4.08Å; L269-L313 HydrophobicContact CD1-CB 3.88Å; L269-Q314 HydrophobicContact CD1-CG 3.81Å; L269-Q314 HydrophobicContact CG-CG 3.95Å
270K46.5Very low56.9Low160 Ų16099.4 Ų99.470%0.69655%0.554SS**  trans-71.7139.9173-68.1-162.3176.9-1700110.6D272K270-D272 HydrophobicContact CB-CB 4.32Å; K270-D272 WeakPolarHBondContact CD-OD2 3.46Å; K270-D272 PolarHBondContact O-N 2.99Å; K270-D272 VanDerWaalsContact O-N 3.14Å
271E42.1Very low54.5Low180 Ų180105.6 Ų105.684%0.84158%0.575SS**SBendtrans-66.5-11.2178-62.1-178.7125.500113.3S273 S274E271-S273 PolarHBondContact O-N 2.96Å; E271-S274 PolarHBondContact O-N 3.29Å
272D33.7Very low52.2Low128 Ų128113.7 Ų113.768%0.68461%0.612SS**THydrogen-bonded Turntrans-58.324.6174.8-48.6-31.2000115K270K270-D272 HydrophobicContact CB-CB 4.32Å; K270-D272 WeakPolarHBondContact CD-OD2 3.46Å; K270-D272 PolarHBondContact O-N 2.99Å; K270-D272 VanDerWaalsContact O-N 3.14Å
273S43.1Very low50Low81 Ų81122 Ų12257%0.56665%0.651SS**THydrogen-bonded Turntrans-145.929178.4-63.30000112.9E271 R330E271-S273 PolarHBondContact O-N 2.96Å; S273-R330 PolarHBondContact O-NH2 3.07Å
274S41.7Very low47.9Very low105 Ų105127.4 Ų127.473%0.73466%0.662SS**SBendtrans-130.7136.3162.3-168.10000108.9E271E271-S274 PolarHBondContact O-N 3.29Å
275S32.3Very low46Very low121 Ų121133.8 Ų133.885%0.84669%0.69SS**SBendtrans59.782177.9-161.80000117.7
276S27.5Very low43.6Very low108 Ų108141.2 Ų141.276%0.75573%0.73SS**  -170.799.3119.461.20000110.6A278S276-A278 PolarHBondContact O-N 3.07Å
277E39.5Very low41.4Very low208 Ų208145.1 Ų145.197%0.97275%0.753SS**  trans-81.2105.4157.8-69.2-173.8163.700107
278A31.8Very low39.7Very low82 Ų82150.8 Ų150.868%0.67878%0.777SS**  trans-149.588.5176.400000106.6S276S276-A278 PolarHBondContact O-N 3.07Å
279E35.5Very low38.1Very low173 Ų173150.5 Ų150.581%0.80877%0.773SS**  trans-78.8121.4177-57.7-162.7143.400108.8E281E279-E281 HydrophobicContact CB-CG 4.41Å; E279-E281 PolarHBondContact O-N 2.79Å; E279-E281 VanDerWaalsContact O-N 3.11Å
280E33.4Very low37.2Very low200 Ų200156.6 Ų156.694%0.93580%0.8SS**  trans-80.674.7167-68.9-176.3156.400108.4
281E33.9Very low36.9Very low171 Ų171158.4 Ų158.480%0.79981%0.808SS**  trans-77.5118.3163.8-67.7-156.1125.100109.2E279E279-E281 HydrophobicContact CB-CG 4.41Å; E279-E281 PolarHBondContact O-N 2.79Å; E279-E281 VanDerWaalsContact O-N 3.11Å
282E35.5Very low36.5Very low196 Ų196158.4 Ų158.492%0.91681%0.808SS**  trans-79.3119.8172.7-73.5-169.4149.400111
283E38.4Very low36.5Very low185 Ų185159 Ų15986%0.86481%0.811SS**  trans-7.8119.7167.2-59174.2176.600119.3
284E36.1Very low35.8Very low193 Ų193162.3 Ų162.390%0.90282%0.822SS**  trans-136.8132.6138.9-77-73.4-171.600107.8
285E38.3Very low35.4Very low187 Ų187161.7 Ų161.787%0.87482%0.818SS**  trans-93167.7-176.6-72.7-171.1120.500113.7
286D33.3Very low35.5Very low157 Ų157159.3 Ų159.384%0.8480%0.802SS**  trans74131.3165.3-132.117.3000115.6
287D35.9Very low36Very low133 Ų133162.6 Ų162.671%0.71181%0.805SS**  cis-149.5162.323.5178.94.7000110
288E42.3Very low36Very low159 Ų159159.6 Ų159.674%0.74379%0.791SS**  trans-73.9136.8-166.4-59179.815200115.3
289K38.5Very low36.3Very low176 Ų176163.5 Ų163.577%0.76580%0.795SS**  -164.6130.9126.7-112.5149.7-134.469.10116.5
290E42.3Very low36.7Very low186 Ų186163.2 Ų163.287%0.86979%0.794SS**  trans-46129.1175.8-53.8164137.800114.5
291K40.2Very low37.5Very low198 Ų198156.8 Ų156.886%0.86176%0.764SS**  trans-140.7120.1148.5-91.2-72.5163-177.30109.3
292E33.1Very low38.2Very low179 Ų179156.1 Ų156.184%0.83676%0.764SS**  trans-60156.5-169.7-60.9151.812200114.6
293D33.5Very low39.2Very low141 Ų141148.1 Ų148.175%0.75473%0.726SS**  trans-24129.5172.2-70.8-72.3000117.1
294N29.6Very low40Very low150 Ų150141.1 Ų141.180%0.80270%0.697SS**  trans-148.258.7136.2-111.1-87.4000110S296N294-S296 PolarHBondContact O-N 3.05Å; N294-S296 PolarHBondContact O-OG 3.47Å
295S33.4Very low41.1Very low92 Ų92135.2 Ų135.264%0.64367%0.669SS**  trans-63.290158.8-172.20000107.9E297S295-E297 PolarHBondContact O-N 2.85Å
296S34.1Very low42.5Very low72 Ų72130.8 Ų130.850%0.50366%0.656SS.*  trans-84.470.9177.931.20000108.4N294 E298N294-S296 PolarHBondContact O-N 3.05Å; N294-S296 PolarHBondContact O-OG 3.47Å; S296-E298 PolarHBondContact O-N 2.95Å
297E38.1Very low44.3Very low177 Ų177131.3 Ų131.383%0.82765%0.654SS**  trans-63.965.1152.2-68.7-179.9105.600108.3S295 E299S295-E297 PolarHBondContact O-N 2.85Å; E297-E299 PolarHBondContact O-N 2.87Å
298E39.6Very low46.2Very low145 Ų145126.9 Ų126.968%0.67863%0.628SS**  trans-61.4104.9168.2-78.4-174.6142.100107.1S296 E300S296-E298 PolarHBondContact O-N 2.95Å; E298-E300 PolarHBondContact O-N 3.09Å
299E37.8Very low48.1Very low163 Ų163123.4 Ų123.476%0.76261%0.609SS**  trans-7.5108176.1-61.2-177168.400113.1E297 E301E297-E299 PolarHBondContact O-N 2.87Å; E299-E301 VanDerWaalsContact C-N 3.27Å; E299-E301 PolarHBondContact O-N 2.93Å
300E43.8Very low50.2Low168 Ų168119 Ų11979%0.78559%0.591SS**  trans-56103.6158.8-90.3-147126.200106.1E298 I302E298-E300 PolarHBondContact O-N 3.09Å; E300-I302 PolarHBondContact O-N 3.39Å
301E50.7Low52.1Low64 Ų64112.4 Ų112.430%0.29956%0.562SS.*  trans-64.385-173.4179.3-162-152.700108.2E299 E303 R345 L408E299-E301 VanDerWaalsContact C-N 3.27Å; E299-E301 PolarHBondContact O-N 2.93Å; E301-E303 VanDerWaalsContact C-N 3.34Å; E301-E303 VanDerWaalsContact O-CA 3.31Å; E301-E303 WeakPolarHBondContact O-CA 3.41Å; E301-E303 WeakPolarHBondContact O-CG 3.2Å; E301-E303 PolarHBondContact O-N 2.83Å; E301-R345 IonicContact OE1-NH2 3.59Å; E301-R345 IonicContact OE2-CZ 3.47Å; E301-R345 IonicContact OE2-NH1 3.43Å; E301-R345 IonicContact OE2-NH2 2.71Å; E301-R345 PolarHBondContact OE2-NH2 2.94Å; E301-L408 WeakPolarHBondContact OE1-CD1 3.08Å
302I48.5Very low54.4Low157 Ų157103 Ų10381%0.80552%0.521SS*.  trans-34.596.1-162.8-59.3176.7000109.8E300 P304E300-I302 PolarHBondContact O-N 3.39Å; I302-P304 WeakPolarHBondContact O-CD 3.44Å
303E56.5Low57Low28 Ų2895.9 Ų95.913%0.13149%0.488CS..  trans-69.4113.7-165.7-78.1-174.5151.700106.7E301 F305 P306 R309 N339E301-E303 VanDerWaalsContact C-N 3.34Å; E301-E303 VanDerWaalsContact O-CA 3.31Å; E301-E303 WeakPolarHBondContact O-CA 3.41Å; E301-E303 WeakPolarHBondContact O-CG 3.2Å; E301-E303 PolarHBondContact O-N 2.83Å; E303-F305 PolarHBondContact O-N 3.07Å; E303-P306 WeakPolarHBondContact O-CD 3.26Å; E303-R309 WeakPolarHBondContact OE2-CD 3.3Å; E303-R309 IonicContact OE2-CZ 2.74Å; E303-R309 IonicContact OE2-NE 2.62Å; E303-R309 IonicContact OE2-NH1 2.82Å; E303-R309 PolarHBondContact OE2-NH1 2.9Å; E303-N339 PolarHBondContact OE1-ND2 2.81Å
304P53.6Low59.6Low39 Ų3991.1 Ų91.125%0.25346%0.461SS..SBendtrans-71.3-9.1-149.225.3-37.2000114.5I302 L408 P409I302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-L408 HydrophobicContact CG-CD2 3.93Å; P304-P409 VanDerWaalsContact CB-CD 3.41Å; P304-P409 HydrophobicContact CB-CG 3.77Å; P304-P409 VanDerWaalsContact CG-CD 3.44Å; P304-P409 HydrophobicContact CG-CG 4.35Å
305F59.8Low62.3Low68 Ų6884.2 Ų84.230%0.29842%0.424SS..  trans-136.276.3178.5-55.7-68000108.9E303 E307 E308 R309 Q405E303-F305 PolarHBondContact O-N 3.07Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 3.48Å; F305-E308 HydrophobicContact CB-CB 3.81Å; F305-E308 PolarHBondContact O-N 2.9Å; F305-R309 PolarHBondContact O-N 3.14Å; F305-Q405 WeakPolarHBondContact CD2-O 3.48Å; F305-Q405 HydrophobicContact CE2-CG 4.24Å
306P66.9Low65Low94 Ų9479.8 Ų79.861%0.6139%0.394SS*.Hα-helixtrans-63.4-37.7-175.924.7-33.3000112.1E303 E308 R309 E310E303-P306 WeakPolarHBondContact O-CD 3.26Å; P306-E308 PolarHBondContact O-N 2.81Å; P306-R309 PolarHBondContact O-N 2.91Å; P306-E310 PolarHBondContact O-N 3.17Å
307E72.1Confident67.5Low169 Ų16978.8 Ų78.879%0.7938%0.379SS*.Hα-helixtrans-58.4-35.1172.5-62.5-178.8-174.700112.1F305 E310 N311F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 3.48Å; E307-E310 PolarHBondContact O-N 2.82Å; E307-N311 VanDerWaalsContact O-CB 3.24Å; E307-N311 WeakPolarHBondContact O-CB 3.45Å; E307-N311 PolarHBondContact O-N 2.88Å
308E76.6Confident69.8Low39 Ų3972 Ų7218%0.18235%0.347CS..Hα-helixtrans-81.8-36.2-179.5-169.2170.9-139.900112.6F305 P306 E310 N311 F312 F404 Q405F305-E308 HydrophobicContact CB-CB 3.81Å; F305-E308 PolarHBondContact O-N 2.9Å; P306-E308 PolarHBondContact O-N 2.81Å; E308-E310 PolarHBondContact O-N 2.87Å; E308-N311 PolarHBondContact O-N 2.88Å; E308-F312 VanDerWaalsContact O-CB 3.28Å; E308-F312 WeakPolarHBondContact O-CB 3.28Å; E308-F312 PolarHBondContact O-N 2.88Å; E308-F404 HydrophobicContact CG-CD1 4.02Å; E308-F404 VanDerWaalsContact OE1-CA 3.31Å; E308-F404 WeakPolarHBondContact OE1-CA 3.04Å; E308-Q405 PolarHBondContact OE1-N 3.38Å; E308-Q405 VanDerWaalsContact OE2-C 3.23Å; E308-Q405 VanDerWaalsContact OE2-CA 3.25Å; E308-Q405 WeakPolarHBondContact OE2-CA 3.44Å; E308-Q405 VanDerWaalsContact OE2-CB 3.24Å; E308-Q405 WeakPolarHBondContact OE2-CB 3.37Å; E308-Q405 PolarHBondContact OE2-N 3.31Å
309R80.9Confident72Confident86 Ų8665 Ų6533%0.32531%0.314SS..Hα-helixtrans-53.2-46.8164.6158.5167.7154-170.8-7.6110.2E303 F305 P306 L313 F341E303-R309 WeakPolarHBondContact OE2-CD 3.3Å; E303-R309 IonicContact OE2-CZ 2.74Å; E303-R309 IonicContact OE2-NE 2.62Å; E303-R309 IonicContact OE2-NH1 2.82Å; E303-R309 PolarHBondContact OE2-NH1 2.9Å; F305-R309 PolarHBondContact O-N 3.14Å; P306-R309 PolarHBondContact O-N 2.91Å; R309-L313 HydrophobicContact CG-CD1 3.89Å; R309-L313 WeakPolarHBondContact O-CB 3.43Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.44Å; R309-L313 PolarHBondContact O-N 2.9Å; R309-F341 HydrophobicContact CB-CD1 3.74Å; R309-F341 HydrophobicContact CB-CD2 4.45Å; R309-F341 HydrophobicContact CB-CE1 3.83Å; R309-F341 HydrophobicContact CB-CG 4.06Å; R309-F341 HydrophobicContact CB-CZ 4.22Å; R309-F341 HydrophobicContact CG-CB 4.33Å; R309-F341 HydrophobicContact CG-CD1 4.1Å; R309-F341 HydrophobicContact CG-CG 4.22Å
310E82.4Confident74.4Confident83 Ų8357.4 Ų57.439%0.38828%0.279SS..Hα-helixtrans-65.9-48.5180-154.3-156.6146.300111.1L269 P306 E307 E308 F312 L313 Q314L269-E310 HydrophobicContact CD1-CG 4.08Å; P306-E310 PolarHBondContact O-N 3.17Å; E307-E310 PolarHBondContact O-N 2.82Å; E308-E310 PolarHBondContact O-N 2.87Å; E310-F312 VanDerWaalsContact C-N 3.31Å; E310-F312 PolarHBondContact O-N 3.15Å; E310-L313 CarbonylContact O-C 3.6Å; E310-L313 PolarHBondContact O-N 2.96Å; E310-Q314 HydrophobicContact CG-CG 4.36Å; E310-Q314 VanDerWaalsContact O-CG 3.31Å; E310-Q314 WeakPolarHBondContact O-CG 3.36Å; E310-Q314 PolarHBondContact O-N 3.39Å; E310-Q314 PolarHBondContact OE1-NE2 2.96Å
311N84.1Confident76.3Confident49 Ų4954.3 Ų54.326%0.26226%0.264SS..Hα-helixtrans-56.3-41.8177.1-170.6-6.6000112.4K266 E307 E308 Q315K266-N311 WeakPolarHBondContact CE-OD1 3.11Å; K266-N311 VanDerWaalsContact NZ-CG 3.35Å; K266-N311 PolarHBondContact NZ-ND2 2.65Å; K266-N311 PolarHBondContact NZ-OD1 3.38Å; E307-N311 VanDerWaalsContact O-CB 3.24Å; E307-N311 WeakPolarHBondContact O-CB 3.45Å; E307-N311 PolarHBondContact O-N 2.88Å; E308-N311 PolarHBondContact O-N 2.88Å; N311-Q315 WeakPolarHBondContact O-CB 3.37Å; N311-Q315 VanDerWaalsContact O-CG 3.28Å; N311-Q315 WeakPolarHBondContact O-CG 3.4Å; N311-Q315 PolarHBondContact O-N 2.55Å; N311-Q315 VanDerWaalsContact O-N 3.11Å; N311-Q315 PolarHBondContact O-NE2 2.89Å; N311-Q315 PolarHBondContact OD1-NE2 2.81Å
312F88.1Confident77.8Confident0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-60-48.8171.2170.5-90.9000111.8E308 E310 Q315 L316 F341 F344 L390 F393 F404E308-F312 VanDerWaalsContact O-CB 3.28Å; E308-F312 WeakPolarHBondContact O-CB 3.28Å; E308-F312 PolarHBondContact O-N 2.88Å; E310-F312 VanDerWaalsContact C-N 3.31Å; E310-F312 PolarHBondContact O-N 3.15Å; F312-Q315 PolarHBondContact O-N 2.81Å; F312-L316 HydrophobicContact CE1-CD2 3.82Å; F312-L316 HydrophobicContact CZ-CD2 4.07Å; F312-L316 VanDerWaalsContact O-CB 3.24Å; F312-L316 WeakPolarHBondContact O-CB 3.39Å; F312-L316 PolarHBondContact O-N 3.17Å; F312-F341 HydrophobicContact CB-CD2 4.03Å; F312-F341 HydrophobicContact CB-CE2 4.26Å; F312-F341 HydrophobicContact CD1-CB 4.05Å; F312-F341 AromaticContact CD1-CD2 3.64Å; F312-F341 HydrophobicContact CD1-CD2 3.64Å; F312-F341 HydrophobicContact CD1-CG 4.32Å; F312-F341 HydrophobicContact CD2-CD2 4.38Å; F312-F341 HydrophobicContact CE1-CB 4.16Å; F312-F341 HydrophobicContact CE1-CD2 4.19Å; F312-F341 AromaticContact CG-CD2 3.76Å; F312-F341 HydrophobicContact CG-CD2 3.76Å; F312-F341 HydrophobicContact CG-CE2 4.33Å; F312-F344 HydrophobicContact CD2-CD1 4.05Å; F312-F344 HydrophobicContact CD2-CE1 4.25Å; F312-F344 HydrophobicContact CE1-CB 4.41Å; F312-F344 HydrophobicContact CE2-CB 4.1Å; F312-F344 AromaticContact CE2-CD1 3.23Å; F312-F344 HydrophobicContact CE2-CD1 3.23Å; F312-F344 HydrophobicContact CE2-CD2 4.16Å; F312-F344 AromaticContact CE2-CE1 3.57Å; F312-F344 HydrophobicContact CE2-CE1 3.57Å; F312-F344 HydrophobicContact CE2-CE2 4.43Å; F312-F344 AromaticContact CE2-CG 3.57Å; F312-F344 HydrophobicContact CE2-CG 3.57Å; F312-F344 HydrophobicContact CE2-CZ 4.18Å; F312-F344 HydrophobicContact CZ-CB 3.61Å; F312-F344 AromaticContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD2 4.19Å; F312-F344 HydrophobicContact CZ-CE1 4.42Å; F312-F344 AromaticContact CZ-CG 3.57Å; F312-F344 HydrophobicContact CZ-CG 3.57Å; F312-L390 HydrophobicContact CZ-CD2 3.92Å; F312-F393 AromaticContact CD2-CE1 3.77Å; F312-F393 HydrophobicContact CD2-CE1 3.77Å; F312-F393 AromaticContact CE2-CD1 3.88Å; F312-F393 HydrophobicContact CE2-CD1 3.88Å; F312-F393 AromaticContact CE2-CE1 3.48Å; F312-F393 HydrophobicContact CE2-CE1 3.48Å; F312-F393 VanDerWaalsContact CE2-CE1 3.48Å; F312-F393 HydrophobicContact CZ-CD1 4.39Å; F312-F393 HydrophobicContact CZ-CE1 4.29Å; F312-F404 HydrophobicContact CB-CD1 4.08Å; F312-F404 HydrophobicContact CB-CE1 3.77Å; F312-F404 HydrophobicContact CB-CZ 4.28Å; F312-F404 HydrophobicContact CD2-CD1 4.41Å; F312-F404 HydrophobicContact CD2-CD2 4.23Å; F312-F404 HydrophobicContact CD2-CE1 4.17Å; F312-F404 AromaticContact CD2-CE2 3.98Å; F312-F404 HydrophobicContact CD2-CE2 3.98Å; F312-F404 HydrophobicContact CD2-CG 4.44Å; F312-F404 AromaticContact CD2-CZ 3.94Å; F312-F404 HydrophobicContact CD2-CZ 3.94Å; F312-F404 HydrophobicContact CG-CE1 4.49Å
313L87.6Confident79.1Confident30 Ų3046.8 Ų46.816%0.15723%0.226CC..Hα-helixtrans-65.8-43.7179.9-69.8170.8000112L269 R309 E310 Q315 L316 Y317 L340L269-L313 HydrophobicContact CD1-CB 3.88Å; R309-L313 HydrophobicContact CG-CD1 3.89Å; R309-L313 WeakPolarHBondContact O-CB 3.43Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.44Å; R309-L313 PolarHBondContact O-N 2.9Å; E310-L313 CarbonylContact O-C 3.6Å; E310-L313 PolarHBondContact O-N 2.96Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.34Å; L313-L316 PolarHBondContact O-N 3.48Å; L313-Y317 HydrophobicContact CD2-CE2 4.39Å; L313-Y317 WeakPolarHBondContact O-CB 3.29Å; L313-Y317 VanDerWaalsContact O-CD2 3.27Å; L313-Y317 WeakPolarHBondContact O-CD2 3.43Å; L313-Y317 PolarHBondContact O-N 3.39Å; L313-L340 HydrophobicContact CD2-CB 4.34Å
314Q87Confident80Confident40 Ų4047.8 Ų47.819%0.18724%0.244CC..Hα-helixtrans-57.5-42.6175.9-68.8179.7-0.600111.6K266 T267 L269 E310 K318K266-Q314 HydrophobicContact CB-CB 4.07Å; T267-Q314 PolarHBondContact N-O 2.81Å; T267-Q314 WeakPolarHBondContact O-CB 3.5Å; T267-Q314 VanDerWaalsContact O-CG 3.32Å; T267-Q314 WeakPolarHBondContact O-CG 3.29Å; L269-Q314 HydrophobicContact CD1-CG 3.81Å; L269-Q314 HydrophobicContact CG-CG 3.95Å; E310-Q314 HydrophobicContact CG-CG 4.36Å; E310-Q314 VanDerWaalsContact O-CG 3.31Å; E310-Q314 WeakPolarHBondContact O-CG 3.36Å; E310-Q314 PolarHBondContact O-N 3.39Å; E310-Q314 PolarHBondContact OE1-NE2 2.96Å; Q314-K318 WeakPolarHBondContact O-CB 3.44Å; Q314-K318 PolarHBondContact O-N 2.85Å
315Q87.4Confident81.3Confident5 Ų549 Ų492%0.02325%0.25CS..Hα-helixtrans-69.6-45175.6-73.1178.754.600112.4I261 K266 N311 F312 L313 Y317 K318 F319 F393I261-Q315 VanDerWaalsContact CD1-CD 3.48Å; I261-Q315 HydrophobicContact CG2-CG 4.32Å; K266-Q315 HydrophobicContact CG-CG 4.15Å; N311-Q315 WeakPolarHBondContact O-CB 3.37Å; N311-Q315 VanDerWaalsContact O-CG 3.28Å; N311-Q315 WeakPolarHBondContact O-CG 3.4Å; N311-Q315 PolarHBondContact O-N 2.55Å; N311-Q315 VanDerWaalsContact O-N 3.11Å; N311-Q315 PolarHBondContact O-NE2 2.89Å; N311-Q315 PolarHBondContact OD1-NE2 2.81Å; F312-Q315 PolarHBondContact O-N 2.81Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.34Å; Q315-Y317 PolarHBondContact O-N 3.31Å; Q315-K318 PolarHBondContact O-N 2.87Å; Q315-F319 WeakPolarHBondContact O-CB 3.33Å; Q315-F319 PolarHBondContact O-N 3.15Å; Q315-F393 HydrophobicContact CB-CE2 4.03Å; Q315-F393 HydrophobicContact CB-CZ 3.87Å
316L89.2Confident82.4Confident0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-61.8-44.2-178.9176.962000111.4F312 L313 F319 M320 L340 Y389 L390 F393F312-L316 HydrophobicContact CE1-CD2 3.82Å; F312-L316 HydrophobicContact CZ-CD2 4.07Å; F312-L316 VanDerWaalsContact O-CB 3.24Å; F312-L316 WeakPolarHBondContact O-CB 3.39Å; F312-L316 PolarHBondContact O-N 3.17Å; L313-L316 PolarHBondContact O-N 3.48Å; L316-F319 PolarHBondContact O-N 3.27Å; L316-M320 HydrophobicContact CD1-CE 4.3Å; L316-M320 HydrophobicContact CD1-CG 4.26Å; L316-M320 WeakPolarHBondContact O-CB 3.44Å; L316-M320 WeakPolarHBondContact O-CG 3.49Å; L316-M320 PolarHBondContact O-N 3.12Å; L316-L340 HydrophobicContact CD2-CB 4.23Å; L316-L340 HydrophobicContact CD2-CD1 3.95Å; L316-Y389 WeakPolarHBondContact CD1-O 3.48Å; L316-L390 HydrophobicContact CD1-CD2 4.27Å; L316-L390 HydrophobicContact CD2-CD2 3.69Å; L316-F393 HydrophobicContact CB-CE2 4.46Å; L316-F393 HydrophobicContact CB-CZ 4.45Å; L316-F393 HydrophobicContact CD1-CB 3.58Å; L316-F393 HydrophobicContact CD1-CD1 3.94Å; L316-F393 HydrophobicContact CD1-CD2 3.95Å; L316-F393 HydrophobicContact CD1-CG 3.54Å
317Y87.6Confident83.1Confident51 Ų5144.8 Ų44.820%0.223%0.229CC..Hα-helixtrans-65.2-40.8176.5-86.3-112.3000111.5L313 Q315 M320 E321 I327L313-Y317 HydrophobicContact CD2-CE2 4.39Å; L313-Y317 WeakPolarHBondContact O-CB 3.29Å; L313-Y317 VanDerWaalsContact O-CD2 3.27Å; L313-Y317 WeakPolarHBondContact O-CD2 3.43Å; L313-Y317 PolarHBondContact O-N 3.39Å; Q315-Y317 PolarHBondContact O-N 3.31Å; Y317-M320 PolarHBondContact O-N 3.23Å; Y317-E321 PolarHBondContact O-N 2.82Å; Y317-I327 HydrophobicContact CD1-CB 4.2Å; Y317-I327 HydrophobicContact CE1-CB 3.78Å; Y317-I327 HydrophobicContact CE1-CG2 3.96Å; Y317-I327 WeakPolarHBondContact CE1-O 3.31Å; Y317-I327 HydrophobicContact CE2-CD1 4.49Å
318K85.6Confident83.3Confident33 Ų3343.5 Ų43.514%0.14323%0.227CC..Hα-helixtrans-63.6-44.2174.6-165.679.2-16478.10112.1W265 T267 Q314 Q315 M320 E321 D322W265-K318 WeakPolarHBondContact O-CB 3.15Å; T267-K318 VanDerWaalsContact OG1-CA 3.31Å; T267-K318 WeakPolarHBondContact OG1-CA 3.39Å; T267-K318 WeakPolarHBondContact OG1-CB 3.36Å; T267-K318 WeakPolarHBondContact OG1-CD 3.4Å; T267-K318 PolarHBondContact OG1-N 3.08Å; Q314-K318 WeakPolarHBondContact O-CB 3.44Å; Q314-K318 PolarHBondContact O-N 2.85Å; Q315-K318 PolarHBondContact O-N 2.87Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 3.2Å; K318-E321 IonicContact NZ-OE2 2.79Å; K318-E321 PolarHBondContact NZ-OE2 3.2Å; K318-E321 WeakPolarHBondContact O-CB 3.4Å; K318-E321 PolarHBondContact O-N 3.35Å; K318-D322 IonicContact NZ-OD1 2.76Å; K318-D322 PolarHBondContact NZ-OD1 3.38Å; K318-D322 IonicContact NZ-OD2 2.68Å; K318-D322 WeakPolarHBondContact O-CB 3.39Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 3.12Å
319F86.3Confident83.4Confident0 Ų049.9 Ų49.90%026%0.255CS..Hα-helixtrans-61.5-41.2176.7175.8-99.6000112.1C201 F222 Q315 L316 D322 R323 G392 F393 Y396C201-F319 HydrophobicContact CB-CE2 4.32Å; C201-F319 HydrophobicContact CB-CZ 4.42Å; C201-F319 WeakPolarHBondContact O-CZ 3.49Å; F222-F319 HydrophobicContact CE2-CD2 4.03Å; F222-F319 HydrophobicContact CE2-CE2 4.1Å; F222-F319 AromaticContact CZ-CD2 3.7Å; F222-F319 HydrophobicContact CZ-CD2 3.7Å; F222-F319 AromaticContact CZ-CE2 3.64Å; F222-F319 HydrophobicContact CZ-CE2 3.64Å; Q315-F319 WeakPolarHBondContact O-CB 3.33Å; Q315-F319 PolarHBondContact O-N 3.15Å; L316-F319 PolarHBondContact O-N 3.27Å; F319-D322 PolarHBondContact O-N 2.94Å; F319-R323 VanDerWaalsContact CE1-NH1 3.32Å; F319-R323 VanDerWaalsContact CZ-NH1 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.03Å; F319-R323 PolarHBondContact O-N 3.49Å; F319-G392 VanDerWaalsContact CE1-C 3.48Å; F319-G392 WeakPolarHBondContact CE1-O 3.4Å; F319-G392 WeakPolarHBondContact CZ-O 3.39Å; F319-F393 HydrophobicContact CB-CD2 3.79Å; F319-F393 HydrophobicContact CB-CE2 4.14Å; F319-F393 HydrophobicContact CD1-CB 3.9Å; F319-F393 AromaticContact CD1-CD2 3.75Å; F319-F393 HydrophobicContact CD1-CD2 3.75Å; F319-F393 HydrophobicContact CD1-CG 4.32Å; F319-F393 HydrophobicContact CD2-CD2 4.37Å; F319-F393 HydrophobicContact CE1-CB 3.95Å; F319-F393 HydrophobicContact CE1-CD2 4.42Å; F319-F393 AromaticContact CG-CD2 3.71Å; F319-F393 HydrophobicContact CG-CD2 3.71Å; F319-F393 HydrophobicContact CG-CE2 4.46Å; F319-Y396 AromaticContact CD2-CD1 3.98Å; F319-Y396 HydrophobicContact CD2-CD1 3.98Å; F319-Y396 HydrophobicContact CD2-CG 4.02Å; F319-Y396 HydrophobicContact CE2-CD1 4.23Å; F319-Y396 HydrophobicContact CE2-CD2 4.35Å; F319-Y396 AromaticContact CE2-CG 3.81Å; F319-Y396 HydrophobicContact CE2-CG 3.81Å
320M87.1Confident83.3Confident3 Ų352.7 Ų52.72%0.01527%0.265CS..Hα-helixtrans-66.1-36.8175.9-73.4-78.5137.500112.5L316 Y317 K318 T325 I327 Y389L316-M320 HydrophobicContact CD1-CE 4.3Å; L316-M320 HydrophobicContact CD1-CG 4.26Å; L316-M320 WeakPolarHBondContact O-CB 3.44Å; L316-M320 WeakPolarHBondContact O-CG 3.49Å; L316-M320 PolarHBondContact O-N 3.12Å; Y317-M320 PolarHBondContact O-N 3.23Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 3.2Å; M320-T325 CarbonylContact O-C 3.47Å; M320-T325 WeakPolarHBondContact O-CA 3.31Å; M320-T325 PolarHBondContact O-N 3.04Å; M320-I327 HydrophobicContact CB-CD1 4.39Å; M320-I327 HydrophobicContact CB-CG1 4.05Å; M320-I327 HydrophobicContact CG-CD1 3.83Å; M320-I327 HydrophobicContact CG-CG1 3.97Å; M320-I327 HydrophobicContact SD-CD1 4.33Å; M320-I327 HydrophobicContact SD-CG1 4.38Å; M320-Y389 VanDerWaalsContact CE-O 3.26Å; M320-Y389 WeakPolarHBondContact CE-O 3.3Å
321E84.8Confident83.5Confident103 Ų10349.1 Ų49.148%0.48125%0.249SC..Hα-helixtrans-66.1-49.6170.2-175.8-175.8-135.200111.7Y317 K318 R323 G324 P326Y317-E321 PolarHBondContact O-N 2.82Å; K318-E321 IonicContact NZ-OE2 2.79Å; K318-E321 PolarHBondContact NZ-OE2 3.2Å; K318-E321 WeakPolarHBondContact O-CB 3.4Å; K318-E321 PolarHBondContact O-N 3.35Å; E321-R323 VanDerWaalsContact C-N 3.26Å; E321-R323 PolarHBondContact O-N 3.48Å; E321-G324 PolarHBondContact O-N 2.87Å; E321-P326 HydrophobicContact CB-CB 4.46Å
322D81.4Confident83.6Confident38 Ų3851.3 Ų51.320%0.20326%0.264CS..Hα-helixtrans-65.6-23.9-176.1-71.4-18.7000113.7R215 F222 K318 F319R215-D322 IonicContact CZ-OD2 2.85Å; R215-D322 IonicContact NE-OD2 3.79Å; R215-D322 IonicContact NH2-OD2 2.76Å; R215-D322 PolarHBondContact NH2-OD2 3.04Å; F222-D322 HydrophobicContact CD2-CB 4.18Å; F222-D322 HydrophobicContact CE2-CB 3.91Å; K318-D322 IonicContact NZ-OD1 2.76Å; K318-D322 PolarHBondContact NZ-OD1 3.38Å; K318-D322 IonicContact NZ-OD2 2.68Å; K318-D322 WeakPolarHBondContact O-CB 3.39Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 3.12Å; F319-D322 PolarHBondContact O-N 2.94Å
323R76.5Confident83.5Confident24 Ų2452.2 Ų52.29%0.09127%0.269CS..THydrogen-bonded Turntrans-92.26.3172.478.5-175.9-74.8138.6-6.1114.4C201 D203 F319 E321 T325C201-R323 PolarHBondContact O-NH1 2.9Å; D203-R323 IonicContact OD1-NH2 2.64Å; D203-R323 IonicContact OD2-CZ 3.85Å; D203-R323 IonicContact OD2-NE 2.68Å; D203-R323 IonicContact OD2-NH2 3.68Å; D203-R323 PolarHBondContact OD2-NH2 3.5Å; F319-R323 VanDerWaalsContact CE1-NH1 3.32Å; F319-R323 VanDerWaalsContact CZ-NH1 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.03Å; F319-R323 PolarHBondContact O-N 3.49Å; E321-R323 VanDerWaalsContact C-N 3.26Å; E321-R323 PolarHBondContact O-N 3.48Å; R323-T325 WeakPolarHBondContact CD-OG1 3.46Å; R323-T325 HydrophobicContact CG-CG2 4.48Å; R323-T325 VanDerWaalsContact CG-OG1 3.29Å; R323-T325 WeakPolarHBondContact CG-OG1 3.36Å
324G75.3Confident83.3Confident49 Ų4952 Ų5251%0.50527%0.274SS..THydrogen-bonded Turntrans77.914.5178.300000115.8E321E321-G324 PolarHBondContact O-N 2.87Å
325T81.3Confident83.1Confident65 Ų6560.4 Ų60.440%0.39931%0.306SS..  trans-124.654.7179.665.70000113.2M320 R323M320-T325 CarbonylContact O-C 3.47Å; M320-T325 WeakPolarHBondContact O-CA 3.31Å; M320-T325 PolarHBondContact O-N 3.04Å; R323-T325 WeakPolarHBondContact CD-OG1 3.46Å; R323-T325 HydrophobicContact CG-CG2 4.48Å; R323-T325 VanDerWaalsContact CG-OG1 3.29Å; R323-T325 WeakPolarHBondContact CG-OG1 3.36Å
326P81.6Confident83Confident59 Ų5965.3 Ų65.338%0.38332%0.324SS..  trans-63142-172.426.9-36.3000113.4E321 N328E321-P326 HydrophobicContact CB-CB 4.46Å; P326-N328 VanDerWaalsContact C-N 3.31Å; P326-N328 PolarHBondContact O-N 2.76Å
327I81.9Confident82.9Confident15 Ų1570.5 Ų70.58%0.07735%0.352CS..  trans-84.573.1-179.7-55.1-177.4000109.7Y317 M320 K329 P331 L340 Y389Y317-I327 HydrophobicContact CD1-CB 4.2Å; Y317-I327 HydrophobicContact CE1-CB 3.78Å; Y317-I327 HydrophobicContact CE1-CG2 3.96Å; Y317-I327 WeakPolarHBondContact CE1-O 3.31Å; Y317-I327 HydrophobicContact CE2-CD1 4.49Å; M320-I327 HydrophobicContact CB-CD1 4.39Å; M320-I327 HydrophobicContact CB-CG1 4.05Å; M320-I327 HydrophobicContact CG-CD1 3.83Å; M320-I327 HydrophobicContact CG-CG1 3.97Å; M320-I327 HydrophobicContact SD-CD1 4.33Å; M320-I327 HydrophobicContact SD-CG1 4.38Å; I327-K329 VanDerWaalsContact CG2-O 3.27Å; I327-K329 WeakPolarHBondContact CG2-O 3.49Å; I327-K329 PolarHBondContact O-N 2.91Å; I327-P331 HydrophobicContact CG2-CG 4.07Å; I327-L340 HydrophobicContact CD1-CD1 4.12Å; I327-Y389 HydrophobicContact CD1-CD1 3.76Å; I327-Y389 HydrophobicContact CD1-CE1 4.28Å; I327-Y389 HydrophobicContact CG1-CD1 4.1Å; I327-Y389 HydrophobicContact CG1-CE1 4.21Å
328N77.1Confident82.9Confident141 Ų14168.8 Ų68.875%0.75435%0.346SS*.  trans-69-12.2-177.3-64-14.6000114.7P326P326-N328 VanDerWaalsContact C-N 3.31Å; P326-N328 PolarHBondContact O-N 2.76Å
329K77.7Confident83.1Confident174 Ų17469.5 Ų69.576%0.75735%0.352SS*.SBendtrans-142.7140.5173.4-67-173.6178.3-178.40108.1I327I327-K329 VanDerWaalsContact CG2-O 3.27Å; I327-K329 WeakPolarHBondContact CG2-O 3.49Å; I327-K329 PolarHBondContact O-N 2.91Å
330R79.6Confident83.3Confident144 Ų14469.9 Ų69.954%0.54335%0.353SS..  trans-52.8130.4174.9-72-176.6175.9179.5-0.5109.3S273S273-R330 PolarHBondContact O-NH2 3.07Å
331P86.1Confident83.4Confident8 Ų870 Ų705%0.05235%0.354CS..  trans-65.1137.3179.2-22.935.4000111.3I327 L338 L340 Y389I327-P331 HydrophobicContact CG2-CG 4.07Å; P331-L338 HydrophobicContact CB-CB 4.25Å; P331-L338 HydrophobicContact CB-CD2 4.31Å; P331-L338 VanDerWaalsContact O-CB 3.28Å; P331-L338 WeakPolarHBondContact O-CB 3.35Å; P331-L338 PolarHBondContact O-N 3.18Å; P331-L340 HydrophobicContact CG-CD1 4.22Å; P331-L340 HydrophobicContact CG-CD2 4.37Å; P331-Y389 HydrophobicContact CB-CD2 4.23Å; P331-Y389 HydrophobicContact CB-CE1 4.47Å; P331-Y389 HydrophobicContact CB-CE2 3.71Å; P331-Y389 HydrophobicContact CG-CD1 4.15Å; P331-Y389 HydrophobicContact CG-CD2 4.2Å; P331-Y389 HydrophobicContact CG-CE1 3.82Å; P331-Y389 HydrophobicContact CG-CE2 3.91Å; P331-Y389 HydrophobicContact CG-CG 4.32Å
332V86.1Confident83.7Confident96 Ų9667.2 Ų67.258%0.58234%0.34SS*.EExtended strand (participates in β ladder)trans-112.6135.2178.8178.30000109.2R336V332-R336 WeakPolarHBondContact CA-O 3.5Å
333L87Confident84.2Confident19 Ų1965.4 Ų65.410%0.09933%0.33CS..EExtended strand (participates in β ladder)trans-139125.9178.6-176.563.5000109.4Y335 R336 L338 Y366 I371 N381 V382L333-Y335 VanDerWaalsContact C-N 3.26Å; L333-Y335 PolarHBondContact O-N 3.29Å; L333-R336 PolarHBondContact N-O 2.8Å; L333-R336 PolarHBondContact O-N 2.91Å; L333-R336 VanDerWaalsContact O-O 3.13Å; L333-L338 HydrophobicContact CB-CB 4.38Å; L333-L338 HydrophobicContact CB-CD1 4.29Å; L333-L338 HydrophobicContact CD2-CD1 3.94Å; L333-Y366 HydrophobicContact CD1-CE2 4.14Å; L333-Y366 HydrophobicContact CD2-CD2 4.12Å; L333-Y366 HydrophobicContact CD2-CE2 3.91Å; L333-Y366 HydrophobicContact CG-CE2 3.87Å; L333-I371 HydrophobicContact CB-CD1 4.14Å; L333-I371 HydrophobicContact CD2-CD1 3.97Å; L333-I371 HydrophobicContact CG-CD1 4.09Å; L333-N381 HydrophobicContact CD1-CB 3.87Å; L333-V382 HydrophobicContact CD2-CB 4.05Å; L333-V382 HydrophobicContact CD2-CG2 4.42Å
334G82.9Confident84.9Confident26 Ų2664.4 Ų64.427%0.26833%0.327SS..THydrogen-bonded Turntrans58.236.4-17900000113.9R336G334-R336 PolarHBondContact O-N 2.88Å
335Y83.7Confident85.6Confident216 Ų21663 Ų6385%0.84731%0.306SS*.THydrogen-bonded Turntrans63.77-174.6-49.3-85.8000115.8L333L333-Y335 VanDerWaalsContact C-N 3.26Å; L333-Y335 PolarHBondContact O-N 3.29Å
336R84.3Confident86.1Confident108 Ų10861 Ų6141%0.40829%0.293SS..EExtended strand (participates in β ladder)trans-107.9151.5171.5-68.7-174.8168.6-162.7-13.7110.9V332 L333 G334 L338 G370V332-R336 WeakPolarHBondContact CA-O 3.5Å; L333-R336 PolarHBondContact N-O 2.8Å; L333-R336 PolarHBondContact O-N 2.91Å; L333-R336 VanDerWaalsContact O-O 3.13Å; G334-R336 PolarHBondContact O-N 2.88Å; R336-L338 PolarHBondContact O-N 3.49Å; R336-G370 PolarHBondContact NH1-O 2.87Å
337N86.4Confident86.6Confident109 Ų10958.2 Ų58.258%0.58328%0.275SS*.EExtended strand (participates in β ladder)trans-63.7130.4170.7-79.7-56.1000109.7N339N337-N339 PolarHBondContact O-N 3.24Å
338L88.6Confident86.9Confident14 Ų1461.9 Ų61.97%0.07329%0.291CS..  trans-84108.4-177.6-177.161.3000110.7P331 L333 R336 L340 L343 L369 I371 A385P331-L338 HydrophobicContact CB-CB 4.25Å; P331-L338 HydrophobicContact CB-CD2 4.31Å; P331-L338 VanDerWaalsContact O-CB 3.28Å; P331-L338 WeakPolarHBondContact O-CB 3.35Å; P331-L338 PolarHBondContact O-N 3.18Å; L333-L338 HydrophobicContact CB-CB 4.38Å; L333-L338 HydrophobicContact CB-CD1 4.29Å; L333-L338 HydrophobicContact CD2-CD1 3.94Å; R336-L338 PolarHBondContact O-N 3.49Å; L338-L340 HydrophobicContact CD2-CD2 4.08Å; L338-L340 HydrophobicContact CG-CD2 4.32Å; L338-L340 PolarHBondContact O-N 3.05Å; L338-L343 HydrophobicContact CD1-CD2 4.2Å; L338-L343 HydrophobicContact CD2-CD2 4.04Å; L338-L343 HydrophobicContact CG-CD2 4.39Å; L338-L369 HydrophobicContact CD1-CD1 3.7Å; L338-I371 HydrophobicContact CD1-CD1 4.37Å; L338-A385 HydrophobicContact CD2-CB 3.96Å
339N89.4Confident87.5Confident49 Ų4963.7 Ų63.726%0.26229%0.293SS..  trans-67.999.5168.8-178.4-17.1000109.5E303 N337 F341 K342 L343E303-N339 PolarHBondContact OE1-ND2 2.81Å; N337-N339 PolarHBondContact O-N 3.24Å; N339-F341 VanDerWaalsContact C-N 3.32Å; N339-F341 PolarHBondContact O-N 2.85Å; N339-F341 PolarHBondContact OD1-N 3.39Å; N339-K342 HydrophobicContact CB-CB 4Å; N339-K342 VanDerWaalsContact CG-CB 3.46Å; N339-K342 WeakPolarHBondContact ND2-CB 3.41Å; N339-K342 PolarHBondContact OD1-N 3.05Å; N339-L343 WeakPolarHBondContact O-CB 3.49Å; N339-L343 PolarHBondContact O-N 3.25Å
340L91.4Very high88Confident7 Ų759.1 Ų59.14%0.03728%0.276CS..Hα-helixtrans-64.2-33.9-179.3-68.8172.8000112.7L313 L316 I327 P331 L338 F344 Y389 L390L313-L340 HydrophobicContact CD2-CB 4.34Å; L316-L340 HydrophobicContact CD2-CB 4.23Å; L316-L340 HydrophobicContact CD2-CD1 3.95Å; I327-L340 HydrophobicContact CD1-CD1 4.12Å; P331-L340 HydrophobicContact CG-CD1 4.22Å; P331-L340 HydrophobicContact CG-CD2 4.37Å; L338-L340 HydrophobicContact CD2-CD2 4.08Å; L338-L340 HydrophobicContact CG-CD2 4.32Å; L338-L340 PolarHBondContact O-N 3.05Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 PolarHBondContact O-N 2.91Å; L340-Y389 HydrophobicContact CD2-CG 4.49Å; L340-L390 HydrophobicContact CB-CD2 4.44Å; L340-L390 HydrophobicContact CD2-CD1 4.42Å; L340-L390 HydrophobicContact CD2-CG 4.37Å
341F89.1Confident88.2Confident6 Ų654.2 Ų54.23%0.02627%0.27CS..Hα-helixtrans-70.8-47178.4179.6-112.9000111.3R309 F312 N339 L343 F344 R345 M406R309-F341 HydrophobicContact CB-CD1 3.74Å; R309-F341 HydrophobicContact CB-CD2 4.45Å; R309-F341 HydrophobicContact CB-CE1 3.83Å; R309-F341 HydrophobicContact CB-CG 4.06Å; R309-F341 HydrophobicContact CB-CZ 4.22Å; R309-F341 HydrophobicContact CG-CB 4.33Å; R309-F341 HydrophobicContact CG-CD1 4.1Å; R309-F341 HydrophobicContact CG-CG 4.22Å; F312-F341 HydrophobicContact CB-CD2 4.03Å; F312-F341 HydrophobicContact CB-CE2 4.26Å; F312-F341 HydrophobicContact CD1-CB 4.05Å; F312-F341 AromaticContact CD1-CD2 3.64Å; F312-F341 HydrophobicContact CD1-CD2 3.64Å; F312-F341 HydrophobicContact CD1-CG 4.32Å; F312-F341 HydrophobicContact CD2-CD2 4.38Å; F312-F341 HydrophobicContact CE1-CB 4.16Å; F312-F341 HydrophobicContact CE1-CD2 4.19Å; F312-F341 AromaticContact CG-CD2 3.76Å; F312-F341 HydrophobicContact CG-CD2 3.76Å; F312-F341 HydrophobicContact CG-CE2 4.33Å; N339-F341 VanDerWaalsContact C-N 3.32Å; N339-F341 PolarHBondContact O-N 2.85Å; N339-F341 PolarHBondContact OD1-N 3.39Å; F341-L343 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 2.82Å; F341-F344 PolarHBondContact O-N 2.89Å; F341-R345 WeakPolarHBondContact O-CB 3.34Å; F341-R345 PolarHBondContact O-N 3.34Å; F341-M406 HydrophobicContact CE2-CG 4.1Å; F341-M406 HydrophobicContact CZ-CG 4.38Å
342K89.8Confident88.4Confident44 Ų4454 Ų5419%0.19127%0.269CS..Hα-helixtrans-60.6-40.6174-170176.2-177.6-174.20111.6N339 L346 D368 L369N339-K342 HydrophobicContact CB-CB 4Å; N339-K342 VanDerWaalsContact CG-CB 3.46Å; N339-K342 WeakPolarHBondContact ND2-CB 3.41Å; N339-K342 PolarHBondContact OD1-N 3.05Å; K342-L346 HydrophobicContact CG-CD1 4.18Å; K342-L346 WeakPolarHBondContact O-CB 3.41Å; K342-L346 WeakPolarHBondContact O-CD1 3.25Å; K342-L346 WeakPolarHBondContact O-CG 3.28Å; K342-L346 PolarHBondContact O-N 2.82Å; K342-D368 WeakPolarHBondContact CE-O 3.42Å; K342-D368 PolarHBondContact NZ-O 3.25Å; K342-D368 VanDerWaalsContact NZ-O 3.08Å; K342-L369 HydrophobicContact CB-CD2 4.17Å; K342-L369 HydrophobicContact CD-CD2 4.34Å; K342-L369 HydrophobicContact CG-CD2 4.11Å
343L91.9Very high88.5Confident0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-63.2-45.6174.317556.3000112.1L338 N339 F341 L346 V347 V365 L369 V382 Y386 L390L338-L343 HydrophobicContact CD1-CD2 4.2Å; L338-L343 HydrophobicContact CD2-CD2 4.04Å; L338-L343 HydrophobicContact CG-CD2 4.39Å; N339-L343 WeakPolarHBondContact O-CB 3.49Å; N339-L343 PolarHBondContact O-N 3.25Å; F341-L343 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 2.82Å; L343-L346 PolarHBondContact O-N 2.97Å; L343-V347 HydrophobicContact CD1-CG2 4.18Å; L343-V347 PolarHBondContact O-N 2.68Å; L343-V347 VanDerWaalsContact O-N 3.14Å; L343-V365 HydrophobicContact CD1-CG1 3.58Å; L343-L369 HydrophobicContact CB-CD1 4.4Å; L343-L369 HydrophobicContact CB-CD2 4.03Å; L343-L369 HydrophobicContact CD1-CD1 4.15Å; L343-V382 HydrophobicContact CD1-CG2 3.52Å; L343-V382 HydrophobicContact CD2-CG2 4.19Å; L343-Y386 HydrophobicContact CD1-CD2 3.92Å; L343-Y386 HydrophobicContact CD2-CD2 4.09Å; L343-Y386 HydrophobicContact CG-CD2 3.75Å; L343-Y386 HydrophobicContact CG-CE2 4.31Å; L343-L390 HydrophobicContact CB-CD1 4.07Å; L343-L390 HydrophobicContact CD2-CD1 3.68Å; L343-L390 HydrophobicContact CG-CD1 3.63Å
344F91.6Very high88.6Confident4 Ų452.8 Ų52.82%0.01826%0.259CS..Hα-helixtrans-61.1-49.7176.8-172.4-108.8000111.4F312 L340 F341 L346 V347 H348 Y386 L390 E394 M406F312-F344 HydrophobicContact CD2-CD1 4.05Å; F312-F344 HydrophobicContact CD2-CE1 4.25Å; F312-F344 HydrophobicContact CE1-CB 4.41Å; F312-F344 HydrophobicContact CE2-CB 4.1Å; F312-F344 AromaticContact CE2-CD1 3.23Å; F312-F344 HydrophobicContact CE2-CD1 3.23Å; F312-F344 HydrophobicContact CE2-CD2 4.16Å; F312-F344 AromaticContact CE2-CE1 3.57Å; F312-F344 HydrophobicContact CE2-CE1 3.57Å; F312-F344 HydrophobicContact CE2-CE2 4.43Å; F312-F344 AromaticContact CE2-CG 3.57Å; F312-F344 HydrophobicContact CE2-CG 3.57Å; F312-F344 HydrophobicContact CE2-CZ 4.18Å; F312-F344 HydrophobicContact CZ-CB 3.61Å; F312-F344 AromaticContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD2 4.19Å; F312-F344 HydrophobicContact CZ-CE1 4.42Å; F312-F344 AromaticContact CZ-CG 3.57Å; F312-F344 HydrophobicContact CZ-CG 3.57Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 PolarHBondContact O-N 2.91Å; F341-F344 PolarHBondContact O-N 2.89Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.81Å; F344-V347 PolarHBondContact O-N 3.29Å; F344-H348 VanDerWaalsContact O-CB 3.25Å; F344-H348 WeakPolarHBondContact O-CB 3.17Å; F344-H348 PolarHBondContact O-N 2.83Å; F344-Y386 HydrophobicContact CD2-CE2 4.46Å; F344-Y386 WeakPolarHBondContact CD2-OH 3.49Å; F344-L390 HydrophobicContact CB-CD1 4.12Å; F344-L390 HydrophobicContact CB-CD2 4.28Å; F344-L390 HydrophobicContact CD2-CB 4.48Å; F344-L390 HydrophobicContact CD2-CD2 4.29Å; F344-E394 HydrophobicContact CE2-CB 3.91Å; F344-E394 HydrophobicContact CE2-CG 4.05Å; F344-M406 HydrophobicContact CD1-CE 4.28Å; F344-M406 HydrophobicContact CD1-SD 3.32Å; F344-M406 WeakPolarHBondContact CD1-SD 3.41Å; F344-M406 HydrophobicContact CE1-CE 3.79Å; F344-M406 HydrophobicContact CE1-SD 3.45Å; F344-M406 WeakPolarHBondContact CE1-SD 3.2Å
345R90.4Very high88.9Confident20 Ų2057.5 Ų57.58%0.07528%0.278CS..Hα-helixtrans-53.1-45.7174.6-179.9-179.785.6-170.312.1112.8E301 F341 K349 M406E301-R345 IonicContact OE1-NH2 3.59Å; E301-R345 IonicContact OE2-CZ 3.47Å; E301-R345 IonicContact OE2-NH1 3.43Å; E301-R345 IonicContact OE2-NH2 2.71Å; E301-R345 PolarHBondContact OE2-NH2 2.94Å; F341-R345 WeakPolarHBondContact O-CB 3.34Å; F341-R345 PolarHBondContact O-N 3.34Å; R345-K349 WeakPolarHBondContact O-CB 3.31Å; R345-K349 PolarHBondContact O-N 2.76Å; R345-M406 HydrophobicContact CB-CB 4.4Å; R345-M406 WeakPolarHBondContact CD-O 3.4Å; R345-M406 HydrophobicContact CG-CB 4.1Å; R345-M406 WeakPolarHBondContact CG-O 3.36Å
346L91.2Very high89.2Confident23 Ų2347.5 Ų47.512%0.1224%0.239CC..Hα-helixtrans-64.6-46-179.4-75.6166.6000112.1K342 L343 F344 L350 V365 D368 L369K342-L346 HydrophobicContact CG-CD1 4.18Å; K342-L346 WeakPolarHBondContact O-CB 3.41Å; K342-L346 WeakPolarHBondContact O-CD1 3.25Å; K342-L346 WeakPolarHBondContact O-CG 3.28Å; K342-L346 PolarHBondContact O-N 2.82Å; L343-L346 PolarHBondContact O-N 2.97Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.81Å; L346-L350 WeakPolarHBondContact O-CD1 3.45Å; L346-L350 WeakPolarHBondContact O-CG 3.46Å; L346-L350 PolarHBondContact O-N 2.79Å; L346-V365 HydrophobicContact CB-CG1 4.14Å; L346-V365 HydrophobicContact CD1-CG1 4.32Å; L346-D368 HydrophobicContact CD1-CB 3.75Å; L346-D368 HydrophobicContact CD2-CB 3.71Å; L346-D368 HydrophobicContact CG-CB 4.41Å; L346-L369 HydrophobicContact CD1-CD2 4.14Å; L346-L369 HydrophobicContact CD1-CG 4.06Å
347V91.8Very high89.3Confident0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-71.9-39.5179169.50000111.6L343 F344 K349 L350 G351 G352 I356 W362 V365 Y386L343-V347 HydrophobicContact CD1-CG2 4.18Å; L343-V347 PolarHBondContact O-N 2.68Å; L343-V347 VanDerWaalsContact O-N 3.14Å; F344-V347 PolarHBondContact O-N 3.29Å; V347-K349 VanDerWaalsContact C-N 3.34Å; V347-K349 PolarHBondContact O-N 2.61Å; V347-L350 CarbonylContact O-C 3.57Å; V347-L350 WeakPolarHBondContact O-CA 3.37Å; V347-L350 WeakPolarHBondContact O-CB 3.37Å; V347-L350 PolarHBondContact O-N 2.58Å; V347-G351 PolarHBondContact O-N 3.48Å; V347-G352 PolarHBondContact O-N 3.46Å; V347-I356 HydrophobicContact CB-CD1 4.24Å; V347-I356 HydrophobicContact CG1-CD1 3.83Å; V347-I356 HydrophobicContact CG2-CD1 4.08Å; V347-W362 HydrophobicContact CG1-CH2 4.21Å; V347-W362 HydrophobicContact CG2-CH2 3.76Å; V347-W362 HydrophobicContact CG2-CZ3 3.63Å; V347-V365 HydrophobicContact CG2-CG1 4.24Å; V347-Y386 HydrophobicContact CB-CD2 4.06Å; V347-Y386 HydrophobicContact CB-CE2 3.43Å; V347-Y386 VanDerWaalsContact CB-CE2 3.43Å; V347-Y386 HydrophobicContact CG1-CD2 4.25Å; V347-Y386 HydrophobicContact CG1-CE1 4.16Å; V347-Y386 HydrophobicContact CG1-CE2 3.61Å; V347-Y386 HydrophobicContact CG2-CD2 3.64Å; V347-Y386 HydrophobicContact CG2-CE2 3.56Å
348H89.1Confident89.4Confident91 Ų9148.6 Ų48.642%0.42125%0.253SS..Hα-helixtrans-61.1-41.6175.4-170.6-86.5000111.9F344 L350 G351 M406F344-H348 VanDerWaalsContact O-CB 3.25Å; F344-H348 WeakPolarHBondContact O-CB 3.17Å; F344-H348 PolarHBondContact O-N 2.83Å; H348-L350 PolarHBondContact O-N 2.85Å; H348-G351 PolarHBondContact O-N 2.94Å; H348-M406 HydrophobicContact CB-CE 4.08Å; H348-M406 HydrophobicContact CB-SD 4.31Å; H348-M406 VanDerWaalsContact CG-CE 3.47Å; H348-M406 WeakPolarHBondContact ND1-CE 3.37Å
349K88.6Confident89.3Confident180 Ų18050.4 Ų50.478%0.78328%0.275SS*.Hα-helixtrans-60.9-23.8173.5-175.6176.1179.2-178.80113.3R345 V347R345-K349 WeakPolarHBondContact O-CB 3.31Å; R345-K349 PolarHBondContact O-N 2.76Å; V347-K349 VanDerWaalsContact C-N 3.34Å; V347-K349 PolarHBondContact O-N 2.61Å
350L88.7Confident89.3Confident78 Ų7851.7 Ų51.741%0.40829%0.293SS..THydrogen-bonded Turntrans-93.88176.6-65.9165.6000113L346 V347 H348 I356 V361 V365L346-L350 WeakPolarHBondContact O-CD1 3.45Å; L346-L350 WeakPolarHBondContact O-CG 3.46Å; L346-L350 PolarHBondContact O-N 2.79Å; V347-L350 CarbonylContact O-C 3.57Å; V347-L350 WeakPolarHBondContact O-CA 3.37Å; V347-L350 WeakPolarHBondContact O-CB 3.37Å; V347-L350 PolarHBondContact O-N 2.58Å; H348-L350 PolarHBondContact O-N 2.85Å; L350-I356 HydrophobicContact CB-CD1 3.75Å; L350-I356 HydrophobicContact CB-CG1 4.14Å; L350-I356 HydrophobicContact CD1-CD1 3.91Å; L350-V361 HydrophobicContact CD1-CG1 3.69Å; L350-V361 HydrophobicContact CD2-CG1 4.32Å; L350-V365 HydrophobicContact CD1-CG2 3.55Å
351G84.7Confident89.4Confident41 Ų4153.8 Ų53.842%0.42331%0.305SS..THydrogen-bonded Turntrans96.112.3177.900000115.3V347 H348 N355V347-G351 PolarHBondContact O-N 3.48Å; H348-G351 PolarHBondContact O-N 2.94Å; G351-N355 PolarHBondContact O-ND2 3.48Å
352G89.3Confident89.6Confident2 Ų253.5 Ų53.52%0.02130%0.304CS..  trans87.3172.5-178.100000113.6V347 D354 N355 E394V347-G352 PolarHBondContact O-N 3.46Å; G352-D354 VanDerWaalsContact C-N 3.31Å; G352-D354 PolarHBondContact O-N 3.08Å; G352-N355 PolarHBondContact O-N 2.82Å; G352-E394 WeakPolarHBondContact CA-OE1 3.47Å
353F89.4Confident89.7Confident17 Ų1756 Ų568%0.07532%0.315CS..SBendtrans-57.2-41.4-170.8179.8-93.5000113.8N355 I356 W362 K383 Y386 K387 Y391 E394F353-N355 PolarHBondContact O-N 3.17Å; F353-I356 PolarHBondContact O-N 2.91Å; F353-I356 VanDerWaalsContact O-N 3.15Å; F353-W362 AromaticContact CD2-CH2 3.53Å; F353-W362 HydrophobicContact CD2-CH2 3.53Å; F353-W362 AromaticContact CD2-CZ2 3.57Å; F353-W362 HydrophobicContact CD2-CZ2 3.57Å; F353-W362 AromaticContact CE2-CH2 3.95Å; F353-W362 HydrophobicContact CE2-CH2 3.95Å; F353-W362 AromaticContact CE2-CZ2 3.81Å; F353-W362 HydrophobicContact CE2-CZ2 3.81Å; F353-W362 HydrophobicContact CG-CH2 4.5Å; F353-W362 HydrophobicContact CG-CZ2 4.34Å; F353-K383 HydrophobicContact CE2-CD 4.48Å; F353-K383 HydrophobicContact CE2-CG 3.7Å; F353-K383 HydrophobicContact CZ-CD 4.39Å; F353-K383 VanDerWaalsContact CZ-CE 3.5Å; F353-K383 HydrophobicContact CZ-CG 3.97Å; F353-Y386 HydrophobicContact CB-CD1 4.12Å; F353-Y386 HydrophobicContact CB-CE1 3.82Å; F353-Y386 AromaticContact CD2-CD1 3.42Å; F353-Y386 HydrophobicContact CD2-CD1 3.42Å; F353-Y386 VanDerWaalsContact CD2-CD1 3.42Å; F353-Y386 HydrophobicContact CD2-CE1 4.04Å; F353-Y386 HydrophobicContact CD2-CG 4.12Å; F353-Y386 HydrophobicContact CE2-CD1 4.23Å; F353-Y386 HydrophobicContact CG-CD1 4.15Å; F353-Y386 HydrophobicContact CG-CE1 4.35Å; F353-K387 HydrophobicContact CE1-CD 4.36Å; F353-K387 HydrophobicContact CE2-CB 3.96Å; F353-K387 HydrophobicContact CZ-CB 3.99Å; F353-K387 HydrophobicContact CZ-CD 3.95Å; F353-K387 HydrophobicContact CZ-CG 4.37Å; F353-Y391 HydrophobicContact CB-CD2 3.77Å; F353-Y391 HydrophobicContact CB-CE2 4.34Å; F353-Y391 AromaticContact CD1-CD2 3.49Å; F353-Y391 HydrophobicContact CD1-CD2 3.49Å; F353-Y391 VanDerWaalsContact CD1-CD2 3.49Å; F353-Y391 AromaticContact CD1-CE2 3.67Å; F353-Y391 HydrophobicContact CD1-CE2 3.67Å; F353-Y391 HydrophobicContact CD2-CD2 4.42Å; F353-Y391 HydrophobicContact CE1-CD2 4.17Å; F353-Y391 HydrophobicContact CE1-CE2 4.32Å; F353-Y391 AromaticContact CG-CD2 3.64Å; F353-Y391 HydrophobicContact CG-CD2 3.64Å; F353-Y391 HydrophobicContact CG-CE2 4.23Å; F353-E394 WeakPolarHBondContact CB-OE2 3.31Å; F353-E394 PolarHBondContact N-OE1 3.03Å; F353-E394 PolarHBondContact N-OE2 2.86Å; F353-E394 VanDerWaalsContact N-OE2 3.14Å
354D87.8Confident89.7Confident74 Ų7460.5 Ų60.540%0.39634%0.336SS..THydrogen-bonded Turntrans-71.5-31.5-169.6-54.7-57.6000112.3G352 I356 Y391 R398G352-D354 VanDerWaalsContact C-N 3.31Å; G352-D354 PolarHBondContact O-N 3.08Å; D354-I356 PolarHBondContact O-N 3.17Å; D354-Y391 WeakPolarHBondContact OD1-CE2 3.33Å; D354-R398 IonicContact OD2-CZ 2.7Å; D354-R398 IonicContact OD2-NH1 2.72Å; D354-R398 PolarHBondContact OD2-NH1 3.5Å; D354-R398 IonicContact OD2-NH2 3.58Å; D354-R398 PolarHBondContact OD2-NH2 3.21Å
355N89Confident89.8Confident125 Ų12560.3 Ų60.367%0.66834%0.335SS*.THydrogen-bonded Turntrans-74-7.9174.7-75.2-65.9000113.3G351 G352 F353G351-N355 PolarHBondContact O-ND2 3.48Å; G352-N355 PolarHBondContact O-N 2.82Å; F353-N355 PolarHBondContact O-N 3.17Å
356I91.1Very high89.9Confident6 Ų659.6 Ų59.63%0.03133%0.332CS..  trans-105.577.5-180-42.5176.5000111.4V347 L350 F353 D354 V361 W362 K383V347-I356 HydrophobicContact CB-CD1 4.24Å; V347-I356 HydrophobicContact CG1-CD1 3.83Å; V347-I356 HydrophobicContact CG2-CD1 4.08Å; L350-I356 HydrophobicContact CB-CD1 3.75Å; L350-I356 HydrophobicContact CB-CG1 4.14Å; L350-I356 HydrophobicContact CD1-CD1 3.91Å; F353-I356 PolarHBondContact O-N 2.91Å; F353-I356 VanDerWaalsContact O-N 3.15Å; D354-I356 PolarHBondContact O-N 3.17Å; I356-V361 HydrophobicContact CG2-CB 3.68Å; I356-V361 HydrophobicContact CG2-CG1 3.6Å; I356-W362 HydrophobicContact CB-CZ2 3.78Å; I356-W362 HydrophobicContact CD1-CH2 4.24Å; I356-W362 HydrophobicContact CD1-CZ2 4.06Å; I356-W362 HydrophobicContact CG1-CZ2 4.43Å; I356-W362 HydrophobicContact CG2-CD2 4.2Å; I356-W362 HydrophobicContact CG2-CG 4.16Å; I356-W362 HydrophobicContact CG2-CZ2 4.16Å; I356-W362 PolarHBondContact O-NE1 3.2Å; I356-K383 PolarHBondContact O-NZ 2.98Å
357E85.4Confident89.9Confident168 Ų16862.8 Ų62.879%0.78535%0.347SS*.  trans-71.1-45.1168.4-60-171.7150.800111.6G359E357-G359 PolarHBondContact O-N 2.94Å
358S88.4Confident89.8Confident72 Ų7265.8 Ų65.850%0.50336%0.363SS..  trans-66115.3-169.5-83.90000114A360 V361 W362S358-A360 PolarHBondContact O-N 2.88Å; S358-A360 VanDerWaalsContact O-N 3.13Å; S358-V361 WeakPolarHBondContact O-CB 3.45Å; S358-V361 PolarHBondContact O-N 3.06Å; S358-W362 PolarHBondContact O-N 3.17Å
359G86.9Confident89.9Confident52 Ų5262.4 Ų62.454%0.53635%0.348SS..Hα-helixtrans-59.6-22.6175.100000114.8E357 K363E357-G359 PolarHBondContact O-N 2.94Å; G359-K363 PolarHBondContact O-N 2.92Å
360A90Very high89.7Confident76 Ų7655.1 Ų55.163%0.62832%0.324SS*.Hα-helixtrans-67.1-37.4171.600000112.6S358 K363 Q364S358-A360 PolarHBondContact O-N 2.88Å; S358-A360 VanDerWaalsContact O-N 3.13Å; A360-K363 WeakPolarHBondContact O-CB 3.4Å; A360-K363 PolarHBondContact O-N 3.02Å; A360-Q364 PolarHBondContact O-N 2.62Å
361V93.2Very high89.7Confident50 Ų5051.9 Ų51.930%0.30331%0.307SS..Hα-helixtrans-70.9-40.3176.8-179.60000110.2L350 I356 S358 K363 Q364 V365L350-V361 HydrophobicContact CD1-CG1 3.69Å; L350-V361 HydrophobicContact CD2-CG1 4.32Å; I356-V361 HydrophobicContact CG2-CB 3.68Å; I356-V361 HydrophobicContact CG2-CG1 3.6Å; S358-V361 WeakPolarHBondContact O-CB 3.45Å; S358-V361 PolarHBondContact O-N 3.06Å; V361-K363 VanDerWaalsContact C-N 3.25Å; V361-K363 PolarHBondContact O-N 3.23Å; V361-Q364 WeakPolarHBondContact O-CA 3.43Å; V361-Q364 WeakPolarHBondContact O-CB 3.3Å; V361-Q364 PolarHBondContact O-N 2.9Å; V361-V365 WeakPolarHBondContact O-CG2 3.4Å; V361-V365 PolarHBondContact O-N 2.97Å
362W93.9Very high89.7Confident1 Ų152.9 Ų52.90%0.00431%0.306CS..Hα-helixtrans-60.6-34.1170.4-71.8101.7000113V347 F353 I356 S358 Y366 G379 V382 K383 Y386V347-W362 HydrophobicContact CG1-CH2 4.21Å; V347-W362 HydrophobicContact CG2-CH2 3.76Å; V347-W362 HydrophobicContact CG2-CZ3 3.63Å; F353-W362 AromaticContact CD2-CH2 3.53Å; F353-W362 HydrophobicContact CD2-CH2 3.53Å; F353-W362 AromaticContact CD2-CZ2 3.57Å; F353-W362 HydrophobicContact CD2-CZ2 3.57Å; F353-W362 AromaticContact CE2-CH2 3.95Å; F353-W362 HydrophobicContact CE2-CH2 3.95Å; F353-W362 AromaticContact CE2-CZ2 3.81Å; F353-W362 HydrophobicContact CE2-CZ2 3.81Å; F353-W362 HydrophobicContact CG-CH2 4.5Å; F353-W362 HydrophobicContact CG-CZ2 4.34Å; I356-W362 HydrophobicContact CB-CZ2 3.78Å; I356-W362 HydrophobicContact CD1-CH2 4.24Å; I356-W362 HydrophobicContact CD1-CZ2 4.06Å; I356-W362 HydrophobicContact CG1-CZ2 4.43Å; I356-W362 HydrophobicContact CG2-CD2 4.2Å; I356-W362 HydrophobicContact CG2-CG 4.16Å; I356-W362 HydrophobicContact CG2-CZ2 4.16Å; I356-W362 PolarHBondContact O-NE1 3.2Å; S358-W362 PolarHBondContact O-N 3.17Å; W362-Y366 PolarHBondContact O-N 3.04Å; W362-Y366 VanDerWaalsContact O-N 3.12Å; W362-G379 WeakPolarHBondContact CB-O 3.42Å; W362-V382 HydrophobicContact CB-CG1 4.3Å; W362-V382 HydrophobicContact CE3-CG1 4.07Å; W362-V382 HydrophobicContact CE3-CG2 4.46Å; W362-V382 WeakPolarHBondContact O-CG1 3.41Å; W362-K383 HydrophobicContact CD2-CB 3.72Å; W362-K383 HydrophobicContact CD2-CD 4.23Å; W362-K383 HydrophobicContact CD2-CG 3.94Å; W362-K383 HydrophobicContact CE3-CB 4.01Å; W362-K383 HydrophobicContact CE3-CG 4.46Å; W362-K383 HydrophobicContact CG-CB 4.01Å; W362-K383 HydrophobicContact CG-CD 4.27Å; W362-K383 HydrophobicContact CG-CG 4.38Å; W362-K383 HydrophobicContact CH2-CG 4.49Å; W362-K383 HydrophobicContact CZ2-CD 4.3Å; W362-K383 HydrophobicContact CZ2-CG 3.95Å; W362-Y386 HydrophobicContact CH2-CD1 4.44Å; W362-Y386 HydrophobicContact CH2-CD2 4.37Å; W362-Y386 HydrophobicContact CH2-CG 4.02Å; W362-Y386 HydrophobicContact CZ3-CD2 4.32Å; W362-Y386 HydrophobicContact CZ3-CG 4.19Å
363K91.4Very high89.6Confident96 Ų9655.1 Ų55.142%0.41732%0.319SS..Hα-helixtrans-66.6-37.8171.8-170-170.5177.1-168.10111.9G359 A360 V361 Y366 Q367G359-K363 PolarHBondContact O-N 2.92Å; A360-K363 WeakPolarHBondContact O-CB 3.4Å; A360-K363 PolarHBondContact O-N 3.02Å; V361-K363 VanDerWaalsContact C-N 3.25Å; V361-K363 PolarHBondContact O-N 3.23Å; K363-Y366 WeakPolarHBondContact O-CB 3.31Å; K363-Y366 PolarHBondContact O-N 2.88Å; K363-Q367 WeakPolarHBondContact O-CG 3.26Å; K363-Q367 PolarHBondContact O-N 3.04Å
364Q92.6Very high89.3Confident94 Ų9460.4 Ų60.444%0.43935%0.348SS..Hα-helixtrans-63.7-47.3173.7-170.863.254.700111.3A360 V361 Y366 Q367 D368A360-Q364 PolarHBondContact O-N 2.62Å; V361-Q364 WeakPolarHBondContact O-CA 3.43Å; V361-Q364 WeakPolarHBondContact O-CB 3.3Å; V361-Q364 PolarHBondContact O-N 2.9Å; Q364-Y366 PolarHBondContact O-N 2.77Å; Q364-Q367 CarbonylContact O-C 3.5Å; Q364-Q367 WeakPolarHBondContact O-CA 3.17Å; Q364-Q367 WeakPolarHBondContact O-CB 3.33Å; Q364-Q367 PolarHBondContact O-N 3.33Å; Q364-D368 PolarHBondContact NE2-OD1 2.71Å; Q364-D368 VanDerWaalsContact O-CG 3.25Å; Q364-D368 PolarHBondContact O-N 3.01Å
365V93.3Very high89.1Confident0 Ų060.7 Ų60.70%035%0.349CS..Hα-helixtrans-56.8-36.2175.71740000111.9L343 L346 V347 L350 V361 Q367 L369 V382L343-V365 HydrophobicContact CD1-CG1 3.58Å; L346-V365 HydrophobicContact CB-CG1 4.14Å; L346-V365 HydrophobicContact CD1-CG1 4.32Å; V347-V365 HydrophobicContact CG2-CG1 4.24Å; L350-V365 HydrophobicContact CD1-CG2 3.55Å; V361-V365 WeakPolarHBondContact O-CG2 3.4Å; V361-V365 PolarHBondContact O-N 2.97Å; V365-Q367 VanDerWaalsContact C-N 3.34Å; V365-L369 WeakPolarHBondContact O-CG 3.15Å; V365-L369 PolarHBondContact O-N 2.96Å; V365-L369 VanDerWaalsContact O-N 3.12Å; V365-V382 HydrophobicContact CG1-CG2 4.26Å
366Y91.8Very high88.9Confident5 Ų561 Ų612%0.0236%0.361CS..Hα-helixtrans-65-35.9173.5-166.1-76.1000112.7L333 W362 K363 Q364 I371 P372 V373 A378 V382L333-Y366 HydrophobicContact CD1-CE2 4.14Å; L333-Y366 HydrophobicContact CD2-CD2 4.12Å; L333-Y366 HydrophobicContact CD2-CE2 3.91Å; L333-Y366 HydrophobicContact CG-CE2 3.87Å; W362-Y366 PolarHBondContact O-N 3.04Å; W362-Y366 VanDerWaalsContact O-N 3.12Å; K363-Y366 WeakPolarHBondContact O-CB 3.31Å; K363-Y366 PolarHBondContact O-N 2.88Å; Q364-Y366 PolarHBondContact O-N 2.77Å; Y366-I371 HydrophobicContact CD1-CB 3.95Å; Y366-I371 HydrophobicContact CD1-CG2 4.33Å; Y366-I371 WeakPolarHBondContact CD1-O 3.38Å; Y366-I371 HydrophobicContact CE1-CB 3.57Å; Y366-I371 HydrophobicContact CE1-CG2 3.45Å; Y366-I371 VanDerWaalsContact CE1-CG2 3.45Å; Y366-I371 VanDerWaalsContact CE1-O 3.28Å; Y366-I371 WeakPolarHBondContact CE1-O 3.48Å; Y366-I371 HydrophobicContact CE2-CG2 4.49Å; Y366-I371 PolarHBondContact O-N 2.76Å; Y366-I371 WeakPolarHBondContact OH-CG2 3.39Å; Y366-P372 WeakPolarHBondContact CE1-O 3.33Å; Y366-V373 HydrophobicContact CD1-CG2 3.81Å; Y366-V373 HydrophobicContact CE1-CG2 4.24Å; Y366-A378 HydrophobicContact CD1-CB 3.87Å; Y366-A378 HydrophobicContact CD2-CB 3.74Å; Y366-A378 WeakPolarHBondContact CD2-O 3.24Å; Y366-A378 HydrophobicContact CE1-CB 3.89Å; Y366-A378 HydrophobicContact CE2-CB 3.77Å; Y366-A378 HydrophobicContact CG-CB 3.79Å; Y366-V382 HydrophobicContact CD2-CB 4.03Å; Y366-V382 HydrophobicContact CD2-CG1 4.08Å
367Q91.3Very high88.7Confident90 Ų9062.9 Ų62.942%0.42138%0.377SS..Hα-helixtrans-73.8-43.4176.2-68.7176.2-60.300111.5K363 Q364 V365 L369 G370 V373K363-Q367 WeakPolarHBondContact O-CG 3.26Å; K363-Q367 PolarHBondContact O-N 3.04Å; Q364-Q367 CarbonylContact O-C 3.5Å; Q364-Q367 WeakPolarHBondContact O-CA 3.17Å; Q364-Q367 WeakPolarHBondContact O-CB 3.33Å; Q364-Q367 PolarHBondContact O-N 3.33Å; V365-Q367 VanDerWaalsContact C-N 3.34Å; Q367-L369 PolarHBondContact O-N 3.13Å; Q367-G370 WeakPolarHBondContact O-CA 3.42Å; Q367-G370 PolarHBondContact O-N 2.92Å; Q367-V373 HydrophobicContact CG-CG2 3.43Å; Q367-V373 VanDerWaalsContact CG-CG2 3.43Å
368D90.7Very high88.9Confident64 Ų6454.9 Ų54.934%0.34234%0.34SS..Hα-helixtrans-65.4-24.2178.9-59.2-13.4000112.5K342 L346 Q364 G370K342-D368 WeakPolarHBondContact CE-O 3.42Å; K342-D368 PolarHBondContact NZ-O 3.25Å; K342-D368 VanDerWaalsContact NZ-O 3.08Å; L346-D368 HydrophobicContact CD1-CB 3.75Å; L346-D368 HydrophobicContact CD2-CB 3.71Å; L346-D368 HydrophobicContact CG-CB 4.41Å; Q364-D368 PolarHBondContact NE2-OD1 2.71Å; Q364-D368 VanDerWaalsContact O-CG 3.25Å; Q364-D368 PolarHBondContact O-N 3.01Å; D368-G370 PolarHBondContact O-N 3.32Å
369L89.6Confident89Confident19 Ų1951.7 Ų51.710%0.09932%0.319CS..THydrogen-bonded Turntrans-68.4-13.8168.5-80.6174000113.9L338 K342 L343 L346 V365 Q367 I371 V382L338-L369 HydrophobicContact CD1-CD1 3.7Å; K342-L369 HydrophobicContact CB-CD2 4.17Å; K342-L369 HydrophobicContact CD-CD2 4.34Å; K342-L369 HydrophobicContact CG-CD2 4.11Å; L343-L369 HydrophobicContact CB-CD1 4.4Å; L343-L369 HydrophobicContact CB-CD2 4.03Å; L343-L369 HydrophobicContact CD1-CD1 4.15Å; L346-L369 HydrophobicContact CD1-CD2 4.14Å; L346-L369 HydrophobicContact CD1-CG 4.06Å; V365-L369 WeakPolarHBondContact O-CG 3.15Å; V365-L369 PolarHBondContact O-N 2.96Å; V365-L369 VanDerWaalsContact O-N 3.12Å; Q367-L369 PolarHBondContact O-N 3.13Å; L369-I371 HydrophobicContact CB-CD1 4.09Å; L369-I371 HydrophobicContact CB-CG1 4.02Å; L369-I371 HydrophobicContact CD1-CD1 4.12Å; L369-V382 HydrophobicContact CD1-CG2 4.26Å
370G85.8Confident89.2Confident27 Ų2757.1 Ų57.128%0.27832%0.324SS..THydrogen-bonded Turntrans7729.4-174.200000113.4R336 Q367 D368R336-G370 PolarHBondContact NH1-O 2.87Å; Q367-G370 WeakPolarHBondContact O-CA 3.42Å; Q367-G370 PolarHBondContact O-N 2.92Å; D368-G370 PolarHBondContact O-N 3.32Å
371I87.8Confident89.2Confident10 Ų1056.2 Ų56.25%0.05131%0.309CS..  trans-105122.8178.6-50.6174.6000109.3L333 L338 Y366 L369 V373L333-I371 HydrophobicContact CB-CD1 4.14Å; L333-I371 HydrophobicContact CD2-CD1 3.97Å; L333-I371 HydrophobicContact CG-CD1 4.09Å; L338-I371 HydrophobicContact CD1-CD1 4.37Å; Y366-I371 HydrophobicContact CD1-CB 3.95Å; Y366-I371 HydrophobicContact CD1-CG2 4.33Å; Y366-I371 WeakPolarHBondContact CD1-O 3.38Å; Y366-I371 HydrophobicContact CE1-CB 3.57Å; Y366-I371 HydrophobicContact CE1-CG2 3.45Å; Y366-I371 VanDerWaalsContact CE1-CG2 3.45Å; Y366-I371 VanDerWaalsContact CE1-O 3.28Å; Y366-I371 WeakPolarHBondContact CE1-O 3.48Å; Y366-I371 HydrophobicContact CE2-CG2 4.49Å; Y366-I371 PolarHBondContact O-N 2.76Å; Y366-I371 WeakPolarHBondContact OH-CG2 3.39Å; L369-I371 HydrophobicContact CB-CD1 4.09Å; L369-I371 HydrophobicContact CB-CG1 4.02Å; L369-I371 HydrophobicContact CD1-CD1 4.12Å; I371-V373 PolarHBondContact O-N 2.88Å
372P85.4Confident89.2Confident62 Ų6253.8 Ų53.840%0.40329%0.294SS..  trans-56.5127.7178.6-28.636.3000113.1Y366 L374Y366-P372 WeakPolarHBondContact CE1-O 3.33Å; P372-L374 VanDerWaalsContact C-N 3.28Å; P372-L374 HydrophobicContact CB-CD2 4.11Å; P372-L374 HydrophobicContact CB-CG 4.27Å; P372-L374 PolarHBondContact O-N 3.27Å
373V86.3Confident89.2Confident49 Ų4956.6 Ų56.630%0.29731%0.306SS..  trans-79.976.3179.8-176.80000110Y366 Q367 I371 N375 A378Y366-V373 HydrophobicContact CD1-CG2 3.81Å; Y366-V373 HydrophobicContact CE1-CG2 4.24Å; Q367-V373 HydrophobicContact CG-CG2 3.43Å; Q367-V373 VanDerWaalsContact CG-CG2 3.43Å; I371-V373 PolarHBondContact O-N 2.88Å; V373-N375 VanDerWaalsContact C-N 3.29Å; V373-N375 PolarHBondContact O-N 3.2Å; V373-A378 HydrophobicContact CG1-CB 3.93Å
374L83.1Confident89.2Confident129 Ų12954.5 Ų54.568%0.67530%0.303SS*.  trans-74.1-16.3-179-58.3179.9000113.7P372P372-L374 VanDerWaalsContact C-N 3.28Å; P372-L374 HydrophobicContact CB-CD2 4.11Å; P372-L374 HydrophobicContact CB-CG 4.27Å; P372-L374 PolarHBondContact O-N 3.27Å
375N83.6Confident89.1Confident79 Ų7950.6 Ų50.642%0.42229%0.287SS..SBendtrans-150.5160.6179.464.157000113V373 A377 A378V373-N375 VanDerWaalsContact C-N 3.29Å; V373-N375 PolarHBondContact O-N 3.2Å; N375-A377 PolarHBondContact O-N 2.98Å; N375-A377 WeakPolarHBondContact OD1-CA 3.49Å; N375-A377 WeakPolarHBondContact OD1-CB 3.48Å; N375-A377 PolarHBondContact OD1-N 3.23Å; N375-A378 WeakPolarHBondContact O-CB 3.4Å; N375-A378 PolarHBondContact O-N 3.42Å; N375-A378 PolarHBondContact OD1-N 3.02Å; N375-A378 VanDerWaalsContact OD1-N 3.11Å
376S85.5Confident89.1Confident132 Ų13250.6 Ų50.692%0.92329%0.287SS*.THydrogen-bonded Turntrans-66-15.9178.2-51.30000114.1A378S376-A378 VanDerWaalsContact C-N 3.32Å
377A87.8Confident89.1Confident45 Ų4556.2 Ų56.237%0.37231%0.312SS..THydrogen-bonded Turntrans-83-5.2179.200000113.5N375 G379 Y380 N381N375-A377 PolarHBondContact O-N 2.98Å; N375-A377 WeakPolarHBondContact OD1-CA 3.49Å; N375-A377 WeakPolarHBondContact OD1-CB 3.48Å; N375-A377 PolarHBondContact OD1-N 3.23Å; A377-G379 VanDerWaalsContact C-N 3.34Å; A377-G379 PolarHBondContact O-N 3.17Å; A377-Y380 WeakPolarHBondContact O-CA 3.21Å; A377-Y380 WeakPolarHBondContact O-CB 3.38Å; A377-Y380 PolarHBondContact O-N 2.89Å; A377-N381 VanDerWaalsContact O-CG 3.27Å; A377-N381 PolarHBondContact O-N 3.19Å; A377-N381 PolarHBondContact O-ND2 3.3Å
378A89.7Confident88.9Confident0 Ų058.3 Ų58.30%032%0.319CS..Hα-helixtrans-44.8-52.2179.800000113.6Y366 V373 N375 S376 Y380 N381 V382Y366-A378 HydrophobicContact CD1-CB 3.87Å; Y366-A378 HydrophobicContact CD2-CB 3.74Å; Y366-A378 WeakPolarHBondContact CD2-O 3.24Å; Y366-A378 HydrophobicContact CE1-CB 3.89Å; Y366-A378 HydrophobicContact CE2-CB 3.77Å; Y366-A378 HydrophobicContact CG-CB 3.79Å; V373-A378 HydrophobicContact CG1-CB 3.93Å; N375-A378 WeakPolarHBondContact O-CB 3.4Å; N375-A378 PolarHBondContact O-N 3.42Å; N375-A378 PolarHBondContact OD1-N 3.02Å; N375-A378 VanDerWaalsContact OD1-N 3.11Å; S376-A378 VanDerWaalsContact C-N 3.32Å; A378-Y380 PolarHBondContact O-N 3.49Å; A378-N381 PolarHBondContact O-N 3.47Å; A378-N381 VanDerWaalsContact O-N 3.17Å; A378-V382 PolarHBondContact O-N 2.8Å
379G90.1Very high88.9Confident6 Ų657.3 Ų57.36%0.06231%0.311CS..Hα-helixtrans-61-39.5177.800000113.9W362 A377 V382 K383W362-G379 WeakPolarHBondContact CB-O 3.42Å; A377-G379 VanDerWaalsContact C-N 3.34Å; A377-G379 PolarHBondContact O-N 3.17Å; G379-V382 WeakPolarHBondContact O-CG1 3.46Å; G379-K383 WeakPolarHBondContact O-CB 3.33Å; G379-K383 PolarHBondContact O-N 3.2Å
380Y90.3Very high89Confident165 Ų16556.4 Ų56.465%0.64731%0.306SS*.Hα-helixtrans-66.2-42174.3178.4-95.8000111.4A377 A378 V382 K383 C384A377-Y380 WeakPolarHBondContact O-CA 3.21Å; A377-Y380 WeakPolarHBondContact O-CB 3.38Å; A377-Y380 PolarHBondContact O-N 2.89Å; A378-Y380 PolarHBondContact O-N 3.49Å; Y380-V382 PolarHBondContact O-N 2.94Å; Y380-K383 PolarHBondContact O-N 2.97Å; Y380-C384 VanDerWaalsContact CE1-SG 3.52Å; Y380-C384 WeakPolarHBondContact O-CB 3.28Å; Y380-C384 PolarHBondContact O-N 2.92Å; Y380-C384 PolarHBondContact O-SG 2.92Å
381N91.2Very high89.2Confident57 Ų5757.1 Ų57.131%0.30530%0.301SS..Hα-helixtrans-64.2-40.9-179.2-63.7-26.1000112.1L333 A377 A378 C384 A385L333-N381 HydrophobicContact CD1-CB 3.87Å; A377-N381 VanDerWaalsContact O-CG 3.27Å; A377-N381 PolarHBondContact O-N 3.19Å; A377-N381 PolarHBondContact O-ND2 3.3Å; A378-N381 PolarHBondContact O-N 3.47Å; A378-N381 VanDerWaalsContact O-N 3.17Å; N381-C384 PolarHBondContact O-N 2.77Å; N381-A385 WeakPolarHBondContact O-CB 3.35Å; N381-A385 PolarHBondContact O-N 2.71Å
382V93.2Very high89.2Confident0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-71-37.3172.761.70000112.5L333 L343 W362 V365 Y366 L369 A378 G379 Y380 C384 A385 Y386L333-V382 HydrophobicContact CD2-CB 4.05Å; L333-V382 HydrophobicContact CD2-CG2 4.42Å; L343-V382 HydrophobicContact CD1-CG2 3.52Å; L343-V382 HydrophobicContact CD2-CG2 4.19Å; W362-V382 HydrophobicContact CB-CG1 4.3Å; W362-V382 HydrophobicContact CE3-CG1 4.07Å; W362-V382 HydrophobicContact CE3-CG2 4.46Å; W362-V382 WeakPolarHBondContact O-CG1 3.41Å; V365-V382 HydrophobicContact CG1-CG2 4.26Å; Y366-V382 HydrophobicContact CD2-CB 4.03Å; Y366-V382 HydrophobicContact CD2-CG1 4.08Å; L369-V382 HydrophobicContact CD1-CG2 4.26Å; A378-V382 PolarHBondContact O-N 2.8Å; G379-V382 WeakPolarHBondContact O-CG1 3.46Å; Y380-V382 PolarHBondContact O-N 2.94Å; V382-C384 VanDerWaalsContact C-N 3.3Å; V382-C384 PolarHBondContact O-N 2.87Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-Y386 WeakPolarHBondContact O-CB 3.42Å; V382-Y386 PolarHBondContact O-N 3.21Å
383K92.7Very high89.4Confident60 Ų6053.9 Ų53.926%0.26128%0.281SS..Hα-helixtrans-60.2-40.5173.3-168.7169.2-169154.20111.5F353 I356 W362 G379 Y380 K387F353-K383 HydrophobicContact CE2-CD 4.48Å; F353-K383 HydrophobicContact CE2-CG 3.7Å; F353-K383 HydrophobicContact CZ-CD 4.39Å; F353-K383 VanDerWaalsContact CZ-CE 3.5Å; F353-K383 HydrophobicContact CZ-CG 3.97Å; I356-K383 PolarHBondContact O-NZ 2.98Å; W362-K383 HydrophobicContact CD2-CB 3.72Å; W362-K383 HydrophobicContact CD2-CD 4.23Å; W362-K383 HydrophobicContact CD2-CG 3.94Å; W362-K383 HydrophobicContact CE3-CB 4.01Å; W362-K383 HydrophobicContact CE3-CG 4.46Å; W362-K383 HydrophobicContact CG-CB 4.01Å; W362-K383 HydrophobicContact CG-CD 4.27Å; W362-K383 HydrophobicContact CG-CG 4.38Å; W362-K383 HydrophobicContact CH2-CG 4.49Å; W362-K383 HydrophobicContact CZ2-CD 4.3Å; W362-K383 HydrophobicContact CZ2-CG 3.95Å; G379-K383 WeakPolarHBondContact O-CB 3.33Å; G379-K383 PolarHBondContact O-N 3.2Å; Y380-K383 PolarHBondContact O-N 2.97Å; K383-K387 WeakPolarHBondContact O-CB 3.49Å; K383-K387 PolarHBondContact O-N 2.89Å
384C91.6Very high89.5Confident52 Ų5252 Ų5235%0.35127%0.269SS..Hα-helixtrans-69-39.8173.9-74.20000113.2Y380 N381 V382 K387 K388Y380-C384 VanDerWaalsContact CE1-SG 3.52Å; Y380-C384 WeakPolarHBondContact O-CB 3.28Å; Y380-C384 PolarHBondContact O-N 2.92Å; Y380-C384 PolarHBondContact O-SG 2.92Å; N381-C384 PolarHBondContact O-N 2.77Å; V382-C384 VanDerWaalsContact C-N 3.3Å; V382-C384 PolarHBondContact O-N 2.87Å; C384-K387 PolarHBondContact O-N 3.1Å; C384-K388 VanDerWaalsContact O-CB 3.26Å; C384-K388 WeakPolarHBondContact O-CB 3.16Å; C384-K388 PolarHBondContact O-N 2.83Å
385A91.4Very high89.7Confident12 Ų1246.9 Ų46.910%0.09924%0.242CC..Hα-helixtrans-62.5-45.7174.500000111L338 N381 V382 K388 Y389L338-A385 HydrophobicContact CD2-CB 3.96Å; N381-A385 WeakPolarHBondContact O-CB 3.35Å; N381-A385 PolarHBondContact O-N 2.71Å; V382-A385 PolarHBondContact O-N 3.3Å; A385-K388 PolarHBondContact O-N 3.43Å; A385-Y389 WeakPolarHBondContact O-CB 3.48Å; A385-Y389 VanDerWaalsContact O-CD2 3.3Å; A385-Y389 WeakPolarHBondContact O-CD2 3.35Å; A385-Y389 PolarHBondContact O-N 2.69Å
386Y93.3Very high89.9Confident0 Ų043.2 Ų43.20%022%0.222CC..Hα-helixtrans-60.2-50.9175.4-162.6-75.1000111.6L343 F344 V347 F353 W362 V382 K388 Y389 L390 Y391 E394L343-Y386 HydrophobicContact CD1-CD2 3.92Å; L343-Y386 HydrophobicContact CD2-CD2 4.09Å; L343-Y386 HydrophobicContact CG-CD2 3.75Å; L343-Y386 HydrophobicContact CG-CE2 4.31Å; F344-Y386 HydrophobicContact CD2-CE2 4.46Å; F344-Y386 WeakPolarHBondContact CD2-OH 3.49Å; V347-Y386 HydrophobicContact CB-CD2 4.06Å; V347-Y386 HydrophobicContact CB-CE2 3.43Å; V347-Y386 VanDerWaalsContact CB-CE2 3.43Å; V347-Y386 HydrophobicContact CG1-CD2 4.25Å; V347-Y386 HydrophobicContact CG1-CE1 4.16Å; V347-Y386 HydrophobicContact CG1-CE2 3.61Å; V347-Y386 HydrophobicContact CG2-CD2 3.64Å; V347-Y386 HydrophobicContact CG2-CE2 3.56Å; F353-Y386 HydrophobicContact CB-CD1 4.12Å; F353-Y386 HydrophobicContact CB-CE1 3.82Å; F353-Y386 AromaticContact CD2-CD1 3.42Å; F353-Y386 HydrophobicContact CD2-CD1 3.42Å; F353-Y386 VanDerWaalsContact CD2-CD1 3.42Å; F353-Y386 HydrophobicContact CD2-CE1 4.04Å; F353-Y386 HydrophobicContact CD2-CG 4.12Å; F353-Y386 HydrophobicContact CE2-CD1 4.23Å; F353-Y386 HydrophobicContact CG-CD1 4.15Å; F353-Y386 HydrophobicContact CG-CE1 4.35Å; W362-Y386 HydrophobicContact CH2-CD1 4.44Å; W362-Y386 HydrophobicContact CH2-CD2 4.37Å; W362-Y386 HydrophobicContact CH2-CG 4.02Å; W362-Y386 HydrophobicContact CZ3-CD2 4.32Å; W362-Y386 HydrophobicContact CZ3-CG 4.19Å; V382-Y386 WeakPolarHBondContact O-CB 3.42Å; V382-Y386 PolarHBondContact O-N 3.21Å; Y386-K388 PolarHBondContact O-N 2.87Å; Y386-Y389 PolarHBondContact O-N 2.85Å; Y386-L390 HydrophobicContact CD1-CB 3.93Å; Y386-L390 HydrophobicContact CD2-CB 4Å; Y386-L390 HydrophobicContact CD2-CD1 3.62Å; Y386-L390 HydrophobicContact CD2-CG 4.44Å; Y386-L390 HydrophobicContact CE1-CB 3.79Å; Y386-L390 HydrophobicContact CE2-CB 3.82Å; Y386-L390 HydrophobicContact CE2-CD1 3.59Å; Y386-L390 HydrophobicContact CE2-CG 4.37Å; Y386-L390 HydrophobicContact CG-CB 4.05Å; Y386-L390 HydrophobicContact CG-CD1 4.35Å; Y386-L390 WeakPolarHBondContact O-CA 3.44Å; Y386-L390 PolarHBondContact O-N 2.71Å; Y386-Y391 PolarHBondContact O-N 3.03Å; Y386-E394 WeakPolarHBondContact CE1-OE2 3.2Å; Y386-E394 VanDerWaalsContact CZ-OE2 3.27Å; Y386-E394 PolarHBondContact OH-OE2 3.03Å
387K90.4Very high90Very high123 Ų12337.3 Ų37.354%0.53518%0.181SC..Hα-helixtrans-61.2-30.6179.5-174154.9-176.1151.10113F353 K383 C384F353-K387 HydrophobicContact CE1-CD 4.36Å; F353-K387 HydrophobicContact CE2-CB 3.96Å; F353-K387 HydrophobicContact CZ-CB 3.99Å; F353-K387 HydrophobicContact CZ-CD 3.95Å; F353-K387 HydrophobicContact CZ-CG 4.37Å; K383-K387 WeakPolarHBondContact O-CB 3.49Å; K383-K387 PolarHBondContact O-N 2.89Å; C384-K387 PolarHBondContact O-N 3.1Å
388K88.8Confident89.9Confident134 Ų13440.5 Ų40.558%0.58318%0.183SC*.Hα-helixtrans-78.2-42177.7-177-176.6173.4-163.80113.6C384 A385 Y386C384-K388 VanDerWaalsContact O-CB 3.26Å; C384-K388 WeakPolarHBondContact O-CB 3.16Å; C384-K388 PolarHBondContact O-N 2.83Å; A385-K388 PolarHBondContact O-N 3.43Å; Y386-K388 PolarHBondContact O-N 2.87Å
389Y89.3Confident89.6Confident42 Ų4240.7 Ų40.717%0.16519%0.185CC..Hα-helixtrans-110.3-21.2-167.2-66.8-68.1000114.9L316 M320 I327 P331 L340 A385 Y386L316-Y389 WeakPolarHBondContact CD1-O 3.48Å; M320-Y389 VanDerWaalsContact CE-O 3.26Å; M320-Y389 WeakPolarHBondContact CE-O 3.3Å; I327-Y389 HydrophobicContact CD1-CD1 3.76Å; I327-Y389 HydrophobicContact CD1-CE1 4.28Å; I327-Y389 HydrophobicContact CG1-CD1 4.1Å; I327-Y389 HydrophobicContact CG1-CE1 4.21Å; P331-Y389 HydrophobicContact CB-CD2 4.23Å; P331-Y389 HydrophobicContact CB-CE1 4.47Å; P331-Y389 HydrophobicContact CB-CE2 3.71Å; P331-Y389 HydrophobicContact CG-CD1 4.15Å; P331-Y389 HydrophobicContact CG-CD2 4.2Å; P331-Y389 HydrophobicContact CG-CE1 3.82Å; P331-Y389 HydrophobicContact CG-CE2 3.91Å; P331-Y389 HydrophobicContact CG-CG 4.32Å; L340-Y389 HydrophobicContact CD2-CG 4.49Å; A385-Y389 WeakPolarHBondContact O-CB 3.48Å; A385-Y389 VanDerWaalsContact O-CD2 3.3Å; A385-Y389 WeakPolarHBondContact O-CD2 3.35Å; A385-Y389 PolarHBondContact O-N 2.69Å; Y386-Y389 PolarHBondContact O-N 2.85Å
390L91.6Very high89.3Confident0 Ų040.4 Ų40.40%018%0.182CC..THydrogen-bonded Turntrans-126.2-37.7-169.5-68173.9000113.8F312 L316 L340 L343 F344 Y386 G392 F393 E394F312-L390 HydrophobicContact CZ-CD2 3.92Å; L316-L390 HydrophobicContact CD1-CD2 4.27Å; L316-L390 HydrophobicContact CD2-CD2 3.69Å; L340-L390 HydrophobicContact CB-CD2 4.44Å; L340-L390 HydrophobicContact CD2-CD1 4.42Å; L340-L390 HydrophobicContact CD2-CG 4.37Å; L343-L390 HydrophobicContact CB-CD1 4.07Å; L343-L390 HydrophobicContact CD2-CD1 3.68Å; L343-L390 HydrophobicContact CG-CD1 3.63Å; F344-L390 HydrophobicContact CB-CD1 4.12Å; F344-L390 HydrophobicContact CB-CD2 4.28Å; F344-L390 HydrophobicContact CD2-CB 4.48Å; F344-L390 HydrophobicContact CD2-CD2 4.29Å; Y386-L390 HydrophobicContact CD1-CB 3.93Å; Y386-L390 HydrophobicContact CD2-CB 4Å; Y386-L390 HydrophobicContact CD2-CD1 3.62Å; Y386-L390 HydrophobicContact CD2-CG 4.44Å; Y386-L390 HydrophobicContact CE1-CB 3.79Å; Y386-L390 HydrophobicContact CE2-CB 3.82Å; Y386-L390 HydrophobicContact CE2-CD1 3.59Å; Y386-L390 HydrophobicContact CE2-CG 4.37Å; Y386-L390 HydrophobicContact CG-CB 4.05Å; Y386-L390 HydrophobicContact CG-CD1 4.35Å; Y386-L390 WeakPolarHBondContact O-CA 3.44Å; Y386-L390 PolarHBondContact O-N 2.71Å; L390-G392 PolarHBondContact O-N 2.78Å; L390-F393 CarbonylContact O-C 3.22Å; L390-F393 WeakPolarHBondContact O-CA 3.3Å; L390-F393 WeakPolarHBondContact O-CB 3.47Å; L390-F393 PolarHBondContact O-N 3.45Å; L390-E394 PolarHBondContact O-N 3.11Å
391Y90.3Very high88.8Confident42 Ų4236.2 Ų36.217%0.16517%0.171CC..Hα-helixtrans-52.1-48.8-175.1173.8-98.2000114.1F353 D354 Y386 F393 E394 E395F353-Y391 HydrophobicContact CB-CD2 3.77Å; F353-Y391 HydrophobicContact CB-CE2 4.34Å; F353-Y391 AromaticContact CD1-CD2 3.49Å; F353-Y391 HydrophobicContact CD1-CD2 3.49Å; F353-Y391 VanDerWaalsContact CD1-CD2 3.49Å; F353-Y391 AromaticContact CD1-CE2 3.67Å; F353-Y391 HydrophobicContact CD1-CE2 3.67Å; F353-Y391 HydrophobicContact CD2-CD2 4.42Å; F353-Y391 HydrophobicContact CE1-CD2 4.17Å; F353-Y391 HydrophobicContact CE1-CE2 4.32Å; F353-Y391 AromaticContact CG-CD2 3.64Å; F353-Y391 HydrophobicContact CG-CD2 3.64Å; F353-Y391 HydrophobicContact CG-CE2 4.23Å; D354-Y391 WeakPolarHBondContact OD1-CE2 3.33Å; Y386-Y391 PolarHBondContact O-N 3.03Å; Y391-F393 PolarHBondContact O-N 3.45Å; Y391-E394 WeakPolarHBondContact O-CB 3.45Å; Y391-E394 PolarHBondContact O-N 3.36Å; Y391-E395 PolarHBondContact O-N 3.17Å
392G87.4Confident88.5Confident4 Ų434 Ų344%0.04116%0.158CC..Hα-helixtrans-67-23.6177.700000114F319 L390 Y396F319-G392 VanDerWaalsContact CE1-C 3.48Å; F319-G392 WeakPolarHBondContact CE1-O 3.4Å; F319-G392 WeakPolarHBondContact CZ-O 3.39Å; L390-G392 PolarHBondContact O-N 2.78Å; G392-Y396 WeakPolarHBondContact O-CB 3.43Å; G392-Y396 PolarHBondContact O-N 2.91Å; G392-Y396 VanDerWaalsContact O-N 3.13Å
393F89.4Confident87.7Confident0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-82.7-35.4173.7-174.5-102.2000111.6F312 Q315 L316 F319 L390 Y391 E395 Y396 C397 F404F312-F393 AromaticContact CD2-CE1 3.77Å; F312-F393 HydrophobicContact CD2-CE1 3.77Å; F312-F393 AromaticContact CE2-CD1 3.88Å; F312-F393 HydrophobicContact CE2-CD1 3.88Å; F312-F393 AromaticContact CE2-CE1 3.48Å; F312-F393 HydrophobicContact CE2-CE1 3.48Å; F312-F393 VanDerWaalsContact CE2-CE1 3.48Å; F312-F393 HydrophobicContact CZ-CD1 4.39Å; F312-F393 HydrophobicContact CZ-CE1 4.29Å; Q315-F393 HydrophobicContact CB-CE2 4.03Å; Q315-F393 HydrophobicContact CB-CZ 3.87Å; L316-F393 HydrophobicContact CB-CE2 4.46Å; L316-F393 HydrophobicContact CB-CZ 4.45Å; L316-F393 HydrophobicContact CD1-CB 3.58Å; L316-F393 HydrophobicContact CD1-CD1 3.94Å; L316-F393 HydrophobicContact CD1-CD2 3.95Å; L316-F393 HydrophobicContact CD1-CG 3.54Å; F319-F393 HydrophobicContact CB-CD2 3.79Å; F319-F393 HydrophobicContact CB-CE2 4.14Å; F319-F393 HydrophobicContact CD1-CB 3.9Å; F319-F393 AromaticContact CD1-CD2 3.75Å; F319-F393 HydrophobicContact CD1-CD2 3.75Å; F319-F393 HydrophobicContact CD1-CG 4.32Å; F319-F393 HydrophobicContact CD2-CD2 4.37Å; F319-F393 HydrophobicContact CE1-CB 3.95Å; F319-F393 HydrophobicContact CE1-CD2 4.42Å; F319-F393 AromaticContact CG-CD2 3.71Å; F319-F393 HydrophobicContact CG-CD2 3.71Å; F319-F393 HydrophobicContact CG-CE2 4.46Å; L390-F393 CarbonylContact O-C 3.22Å; L390-F393 WeakPolarHBondContact O-CA 3.3Å; L390-F393 WeakPolarHBondContact O-CB 3.47Å; L390-F393 PolarHBondContact O-N 3.45Å; Y391-F393 PolarHBondContact O-N 3.45Å; F393-E395 VanDerWaalsContact C-N 3.34Å; F393-Y396 HydrophobicContact CD2-CD1 4.09Å; F393-Y396 HydrophobicContact CE2-CD1 4.04Å; F393-Y396 HydrophobicContact CE2-CE1 4.48Å; F393-Y396 PolarHBondContact O-N 3.29Å; F393-C397 WeakPolarHBondContact CE1-SG 3.39Å; F393-C397 WeakPolarHBondContact O-CB 3.38Å; F393-C397 PolarHBondContact O-N 3.21Å; F393-C397 PolarHBondContact O-SG 3.06Å; F393-F404 HydrophobicContact CE1-CE2 4.03Å; F393-F404 HydrophobicContact CE1-CZ 4.23Å; F393-F404 HydrophobicContact CZ-CE2 4.22Å; F393-F404 HydrophobicContact CZ-CZ 4.07Å
394E90.1Very high87Confident10 Ų1038.9 Ų38.95%0.04719%0.187CC..Hα-helixtrans-56-50.2168.9-167.9-172.9145.500110.1F344 G352 F353 Y386 L390 Y391 Y396 C397 R398F344-E394 HydrophobicContact CE2-CB 3.91Å; F344-E394 HydrophobicContact CE2-CG 4.05Å; G352-E394 WeakPolarHBondContact CA-OE1 3.47Å; F353-E394 WeakPolarHBondContact CB-OE2 3.31Å; F353-E394 PolarHBondContact N-OE1 3.03Å; F353-E394 PolarHBondContact N-OE2 2.86Å; F353-E394 VanDerWaalsContact N-OE2 3.14Å; Y386-E394 WeakPolarHBondContact CE1-OE2 3.2Å; Y386-E394 VanDerWaalsContact CZ-OE2 3.27Å; Y386-E394 PolarHBondContact OH-OE2 3.03Å; L390-E394 PolarHBondContact O-N 3.11Å; Y391-E394 WeakPolarHBondContact O-CB 3.45Å; Y391-E394 PolarHBondContact O-N 3.36Å; E394-Y396 VanDerWaalsContact C-N 3.35Å; E394-Y396 PolarHBondContact O-N 3.08Å; E394-C397 PolarHBondContact O-N 2.61Å; E394-R398 WeakPolarHBondContact O-CB 3.28Å; E394-R398 PolarHBondContact O-N 3.2Å; E394-R398 IonicContact OE1-CZ 3.53Å; E394-R398 IonicContact OE1-NH2 3.78Å; E394-R398 PolarHBondContact OE1-NH2 3.41Å
395E86.9Confident86.1Confident22 Ų2242 Ų4210%0.10320%0.196CC..Hα-helixtrans-65.9-35178.1-171.953.8-143.400112.5C198 D200 Y391 F393 R398 S399C198-E395 HydrophobicContact CB-CG 3.97Å; C198-E395 VanDerWaalsContact CB-OE1 3.22Å; C198-E395 WeakPolarHBondContact CB-OE1 3.14Å; C198-E395 PolarHBondContact SG-OE1 3.02Å; D200-E395 HydrophobicContact CB-CG 4.25Å; Y391-E395 PolarHBondContact O-N 3.17Å; F393-E395 VanDerWaalsContact C-N 3.34Å; E395-R398 WeakPolarHBondContact OE2-CD 3.04Å; E395-R398 IonicContact OE2-CZ 2.66Å; E395-R398 IonicContact OE2-NE 2.7Å; E395-R398 IonicContact OE2-NH1 3.06Å; E395-R398 PolarHBondContact OE2-NH1 3.11Å; E395-S399 VanDerWaalsContact O-CB 3.28Å; E395-S399 WeakPolarHBondContact O-CB 3.49Å; E395-S399 PolarHBondContact O-N 2.92Å; E395-S399 PolarHBondContact O-OG 2.84Å
396Y86.4Confident85.3Confident1 Ų142.3 Ų42.30%0.00420%0.196CC..Hα-helixtrans-63-45.5170173.1-115.9000112V197 C201 R215 F222 W265 F319 G392 F393 E394 S399 A400 I402V197-Y396 HydrophobicContact CB-CD2 4.45Å; V197-Y396 HydrophobicContact CG1-CD2 3.84Å; V197-Y396 HydrophobicContact CG1-CE2 3.69Å; C201-Y396 WeakPolarHBondContact SG-CA 3.38Å; R215-Y396 PolarHBondContact NH1-OH 3.18Å; F222-Y396 HydrophobicContact CE1-CD2 4.34Å; F222-Y396 HydrophobicContact CE1-CE2 4.35Å; F222-Y396 HydrophobicContact CZ-CD2 4.44Å; F222-Y396 HydrophobicContact CZ-CE2 4.47Å; W265-Y396 WeakPolarHBondContact CZ3-OH 3.35Å; F319-Y396 AromaticContact CD2-CD1 3.98Å; F319-Y396 HydrophobicContact CD2-CD1 3.98Å; F319-Y396 HydrophobicContact CD2-CG 4.02Å; F319-Y396 HydrophobicContact CE2-CD1 4.23Å; F319-Y396 HydrophobicContact CE2-CD2 4.35Å; F319-Y396 AromaticContact CE2-CG 3.81Å; F319-Y396 HydrophobicContact CE2-CG 3.81Å; G392-Y396 WeakPolarHBondContact O-CB 3.43Å; G392-Y396 PolarHBondContact O-N 2.91Å; G392-Y396 VanDerWaalsContact O-N 3.13Å; F393-Y396 HydrophobicContact CD2-CD1 4.09Å; F393-Y396 HydrophobicContact CE2-CD1 4.04Å; F393-Y396 HydrophobicContact CE2-CE1 4.48Å; F393-Y396 PolarHBondContact O-N 3.29Å; E394-Y396 VanDerWaalsContact C-N 3.35Å; E394-Y396 PolarHBondContact O-N 3.08Å; Y396-S399 PolarHBondContact O-N 3.01Å; Y396-A400 HydrophobicContact CD2-CB 4.43Å; Y396-A400 HydrophobicContact CE2-CB 4.13Å; Y396-A400 WeakPolarHBondContact O-CB 3.43Å; Y396-A400 PolarHBondContact O-N 2.89Å; Y396-I402 HydrophobicContact CD1-CD1 4.49Å; Y396-I402 HydrophobicContact CE1-CD1 3.74Å
397C87.9Confident83.9Confident8 Ų845.5 Ų45.55%0.05422%0.222CC..Hα-helixtrans-66.6-45.8179.9-64.90000111.6F393 E394 S399 A400 N401 I402F393-C397 WeakPolarHBondContact CE1-SG 3.39Å; F393-C397 WeakPolarHBondContact O-CB 3.38Å; F393-C397 PolarHBondContact O-N 3.21Å; F393-C397 PolarHBondContact O-SG 3.06Å; E394-C397 PolarHBondContact O-N 2.61Å; C397-S399 PolarHBondContact O-N 3.19Å; C397-A400 PolarHBondContact O-N 2.99Å; C397-N401 PolarHBondContact O-N 3.09Å; C397-I402 HydrophobicContact CB-CB 4.27Å; C397-I402 WeakPolarHBondContact CB-O 3.37Å; C397-I402 PolarHBondContact O-N 3.17Å
398R86.3Confident82.5Confident112 Ų11243.1 Ų43.142%0.42321%0.214SC..Hα-helixtrans-54-50.8174.3-171.2-170-65.9176.1-12111.3D354 E394 E395D354-R398 IonicContact OD2-CZ 2.7Å; D354-R398 IonicContact OD2-NH1 2.72Å; D354-R398 PolarHBondContact OD2-NH1 3.5Å; D354-R398 IonicContact OD2-NH2 3.58Å; D354-R398 PolarHBondContact OD2-NH2 3.21Å; E394-R398 WeakPolarHBondContact O-CB 3.28Å; E394-R398 PolarHBondContact O-N 3.2Å; E394-R398 IonicContact OE1-CZ 3.53Å; E394-R398 IonicContact OE1-NH2 3.78Å; E394-R398 PolarHBondContact OE1-NH2 3.41Å; E395-R398 WeakPolarHBondContact OE2-CD 3.04Å; E395-R398 IonicContact OE2-CZ 2.66Å; E395-R398 IonicContact OE2-NE 2.7Å; E395-R398 IonicContact OE2-NH1 3.06Å; E395-R398 PolarHBondContact OE2-NH1 3.11Å
399S84.2Confident80.7Confident5 Ų540.6 Ų40.64%0.03521%0.212CC..Hα-helixtrans-84.3-6-178.766.50000115.5L173 G174 C198 E395 Y396 C397L173-S399 CarbonylContact C-O 3.47Å; G174-S399 VanDerWaalsContact CA-O 3.29Å; G174-S399 WeakPolarHBondContact CA-O 3.14Å; G174-S399 PolarHBondContact N-O 3.38Å; C198-S399 VanDerWaalsContact CB-CB 3.5Å; C198-S399 WeakPolarHBondContact CB-OG 3.26Å; C198-S399 PolarHBondContact N-OG 2.72Å; E395-S399 VanDerWaalsContact O-CB 3.28Å; E395-S399 WeakPolarHBondContact O-CB 3.49Å; E395-S399 PolarHBondContact O-N 2.92Å; E395-S399 PolarHBondContact O-OG 2.84Å; Y396-S399 PolarHBondContact O-N 3.01Å; C397-S399 PolarHBondContact O-N 3.19Å
400A82.3Confident78.7Confident0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-101.8-8.6173.200000113.6L195 R259 Y396 C397 I402L195-A400 HydrophobicContact CD2-CB 3.93Å; R259-A400 PolarHBondContact NH1-O 3.06Å; Y396-A400 HydrophobicContact CD2-CB 4.43Å; Y396-A400 HydrophobicContact CE2-CB 4.13Å; Y396-A400 WeakPolarHBondContact O-CB 3.43Å; Y396-A400 PolarHBondContact O-N 2.89Å; C397-A400 PolarHBondContact O-N 2.99Å; A400-I402 HydrophobicContact CB-CD1 3.51Å; A400-I402 HydrophobicContact CB-CG1 3.69Å
401N80.5Confident76.3Confident77 Ų7755.1 Ų55.141%0.41228%0.279SS..THydrogen-bonded Turntrans49.457.1-162.6-50.7105.2000111.6C397C397-N401 PolarHBondContact O-N 3.09Å
402I83.8Confident73.8Confident10 Ų1058.5 Ų58.55%0.05130%0.303CS..  trans-106.8107.9171.4-62.9166.5000107.6F255 I261 Y396 C397 A400 F404F255-I402 HydrophobicContact CE2-CD1 4.46Å; F255-I402 HydrophobicContact CE2-CG1 4.2Å; F255-I402 HydrophobicContact CZ-CG1 4.23Å; I261-I402 HydrophobicContact CD1-CB 4.43Å; I261-I402 HydrophobicContact CD1-CD1 3.69Å; I261-I402 HydrophobicContact CD1-CG1 3.92Å; I261-I402 HydrophobicContact CD1-CG2 3.64Å; I261-I402 HydrophobicContact CG1-CD1 4.45Å; Y396-I402 HydrophobicContact CD1-CD1 4.49Å; Y396-I402 HydrophobicContact CE1-CD1 3.74Å; C397-I402 HydrophobicContact CB-CB 4.27Å; C397-I402 WeakPolarHBondContact CB-O 3.37Å; C397-I402 PolarHBondContact O-N 3.17Å; A400-I402 HydrophobicContact CB-CD1 3.51Å; A400-I402 HydrophobicContact CB-CG1 3.69Å; I402-F404 HydrophobicContact CG2-CD2 4.43Å; I402-F404 HydrophobicContact CG2-CE2 3.79Å; I402-F404 HydrophobicContact CG2-CZ 4.03Å
403D77.6Confident71.4Confident142 Ų14266.1 Ų66.176%0.75934%0.342SS*.  trans-98.7150.4175.4-63.4-56000110.9
404F78.6Confident68.9Low21 Ų2172.9 Ų72.99%0.09238%0.379CS..  trans-125.5137.6171.7-63.7-91.8000109.8E308 F312 F393 I402 M406E308-F404 HydrophobicContact CG-CD1 4.02Å; E308-F404 VanDerWaalsContact OE1-CA 3.31Å; E308-F404 WeakPolarHBondContact OE1-CA 3.04Å; F312-F404 HydrophobicContact CB-CD1 4.08Å; F312-F404 HydrophobicContact CB-CE1 3.77Å; F312-F404 HydrophobicContact CB-CZ 4.28Å; F312-F404 HydrophobicContact CD2-CD1 4.41Å; F312-F404 HydrophobicContact CD2-CD2 4.23Å; F312-F404 HydrophobicContact CD2-CE1 4.17Å; F312-F404 AromaticContact CD2-CE2 3.98Å; F312-F404 HydrophobicContact CD2-CE2 3.98Å; F312-F404 HydrophobicContact CD2-CG 4.44Å; F312-F404 AromaticContact CD2-CZ 3.94Å; F312-F404 HydrophobicContact CD2-CZ 3.94Å; F312-F404 HydrophobicContact CG-CE1 4.49Å; F393-F404 HydrophobicContact CE1-CE2 4.03Å; F393-F404 HydrophobicContact CE1-CZ 4.23Å; F393-F404 HydrophobicContact CZ-CE2 4.22Å; F393-F404 HydrophobicContact CZ-CZ 4.07Å; I402-F404 HydrophobicContact CG2-CD2 4.43Å; I402-F404 HydrophobicContact CG2-CE2 3.79Å; I402-F404 HydrophobicContact CG2-CZ 4.03Å; F404-M406 HydrophobicContact CB-CE 4.16Å; F404-M406 HydrophobicContact CB-CG 3.88Å; F404-M406 HydrophobicContact CB-SD 4.39Å; F404-M406 PolarHBondContact O-N 3.21Å
405Q72.7Confident66Low116 Ų11681.5 Ų81.554%0.54242%0.416SS..  trans-76.758.8179-169.3178.1-59.200112.1F305 E308 A407F305-Q405 WeakPolarHBondContact CD2-O 3.48Å; F305-Q405 HydrophobicContact CE2-CG 4.24Å; E308-Q405 PolarHBondContact OE1-N 3.38Å; E308-Q405 VanDerWaalsContact OE2-C 3.23Å; E308-Q405 VanDerWaalsContact OE2-CA 3.25Å; E308-Q405 WeakPolarHBondContact OE2-CA 3.44Å; E308-Q405 VanDerWaalsContact OE2-CB 3.24Å; E308-Q405 WeakPolarHBondContact OE2-CB 3.37Å; E308-Q405 PolarHBondContact OE2-N 3.31Å; Q405-A407 PolarHBondContact O-N 3.01Å
406M72.9Confident63.3Low20 Ų2086 Ų8610%0.09945%0.447CS..  trans-70.76.3-179.6-62.1173.1-81.600115F341 F344 R345 H348 F404 L408F341-M406 HydrophobicContact CE2-CG 4.1Å; F341-M406 HydrophobicContact CZ-CG 4.38Å; F344-M406 HydrophobicContact CD1-CE 4.28Å; F344-M406 HydrophobicContact CD1-SD 3.32Å; F344-M406 WeakPolarHBondContact CD1-SD 3.41Å; F344-M406 HydrophobicContact CE1-CE 3.79Å; F344-M406 HydrophobicContact CE1-SD 3.45Å; F344-M406 WeakPolarHBondContact CE1-SD 3.2Å; R345-M406 HydrophobicContact CB-CB 4.4Å; R345-M406 WeakPolarHBondContact CD-O 3.4Å; R345-M406 HydrophobicContact CG-CB 4.1Å; R345-M406 WeakPolarHBondContact CG-O 3.36Å; H348-M406 HydrophobicContact CB-CE 4.08Å; H348-M406 HydrophobicContact CB-SD 4.31Å; H348-M406 VanDerWaalsContact CG-CE 3.47Å; H348-M406 WeakPolarHBondContact ND1-CE 3.37Å; F404-M406 HydrophobicContact CB-CE 4.16Å; F404-M406 HydrophobicContact CB-CG 3.88Å; F404-M406 HydrophobicContact CB-SD 4.39Å; F404-M406 PolarHBondContact O-N 3.21Å; M406-L408 PolarHBondContact O-N 3.33Å
407A63.8Low60.5Low66 Ų6692.5 Ų92.555%0.54549%0.491SS..PPolyproline II helixtrans-74.7119.4-176.600000111.2Q405Q405-A407 PolarHBondContact O-N 3.01Å
408L60.9Low57.7Low73 Ų73101 Ų10138%0.38253%0.527SS..PPolyproline II helixtrans-63.6131.4167.6-70.9174.5000109.8E301 P304 M406 E410E301-L408 WeakPolarHBondContact OE1-CD1 3.08Å; P304-L408 HydrophobicContact CG-CD2 3.93Å; M406-L408 PolarHBondContact O-N 3.33Å; L408-E410 PolarHBondContact O-N 2.82Å
409P52.3Low54.8Low81 Ų81102.8 Ų102.853%0.52655%0.545SS..PPolyproline II helixtrans-51.3130.4165.4-27.534.7000110.3P304 K411P304-P409 VanDerWaalsContact CB-CD 3.41Å; P304-P409 HydrophobicContact CB-CG 3.77Å; P304-P409 VanDerWaalsContact CG-CD 3.44Å; P304-P409 HydrophobicContact CG-CG 4.35Å; P409-K411 PolarHBondContact O-N 2.93Å
410E46.4Very low52.1Low185 Ų185109 Ų10986%0.86459%0.587SS**  trans-70.198.9-171.1-164.5166-134.300110.3L408 V412L408-E410 PolarHBondContact O-N 2.82Å; E410-V412 PolarHBondContact O-N 3.49Å
411K42Very low49.5Very low163 Ų163117 Ų11771%0.70962%0.624SS**  trans-61.395174.4-78.4-176.5176.7176.30108.9P409 L413P409-K411 PolarHBondContact O-N 2.93Å; K411-L413 PolarHBondContact O-N 3.44Å
412V37.8Very low46.9Very low112 Ų112118.9 Ų118.968%0.67963%0.634SS**  trans-56.6105.5179-177.30000109.9E410 N414E410-V412 PolarHBondContact O-N 3.49Å; V412-N414 HydrophobicContact CG1-CB 4.43Å; V412-N414 PolarHBondContact O-N 3.29Å
413L36.2Very low44.4Very low165 Ų165128.6 Ų128.686%0.86468%0.676SS**  trans-78.259.6-174.6-17062.1000112.3K411 K415K411-L413 PolarHBondContact O-N 3.44Å; L413-K415 PolarHBondContact O-N 3.38Å; L413-K415 VanDerWaalsContact O-N 3.11Å
414N36.4Very low41.8Very low142 Ų142130.3 Ų130.376%0.75968%0.68SS**  trans-83.479.6174.8-86.7-21000111.4V412V412-N414 HydrophobicContact CG1-CB 4.43Å; V412-N414 PolarHBondContact O-N 3.29Å
415K30.1Very low39.4Very low190 Ų190135.6 Ų135.683%0.82671%0.713SS**  trans-129.6101.5155.4-81.3-172.5177.9174.70109.7L413L413-K415 PolarHBondContact O-N 3.38Å; L413-K415 VanDerWaalsContact O-N 3.11Å
416P30.6Very low37.1Very low118 Ų118139.4 Ų139.477%0.76673%0.728SS**  trans-71.8137.4175.729.6-33.6000110.5K418P416-K418 PolarHBondContact O-N 3.36Å
417C27.1Very low34.9Very low136 Ų136143.6 Ų143.692%0.91975%0.754SS**  trans-64125.5167.5-79.70000110.2
418K29.3Very low33.1Very low188 Ų188149.3 Ų149.382%0.81777%0.767SS**  trans-87.9114.1162.6-74.2-171.1174.7-174.20109P416P416-K418 PolarHBondContact O-N 3.36Å
419D25.8Very low31.4Very low148 Ų148153.5 Ų153.579%0.79178%0.784SS**  153.797.1126.1-77.2-11.7000111.4
420C27.8Very low30.2Very low136 Ų136157.8 Ų157.892%0.91980%0.798SS**  trans-162.8100.2158.9-107.40000106.9
421E27.4Very low29.2Very low168 Ų168154.4 Ų154.479%0.78579%0.794SS**  trans-76.9145.2-164.1-94.1-166.4108.100116
422N26Very low28.5Very low117 Ų117155.1 Ų155.163%0.62680%0.8SS**  trans60.7108.2142.9-57-24.5000120.5
423K29.9Very low27.9Very low214 Ų214156.7 Ų156.793%0.9381%0.81SS**  -154124.4114.6-104.2151.3-170.61700111.3
424E24.6Very low27.5Very low178 Ų178157.1 Ų157.183%0.83281%0.808SS**  trans-87.5-174.5-179-61.7-177100.500113.2
425V27.1Very low27.2Very low131 Ų131157.6 Ų157.679%0.79481%0.809SS**  trans82.8119164.2-173.10000114
426K24.9Very low27Very low196 Ų196155.5 Ų155.585%0.85280%0.8SS**  cis-151.5152.26.6-145.4170.8-176.7172.80112.8
427V26.9Very low26.9Very low108 Ų108156.9 Ų156.966%0.65580%0.796SS**  trans-77.8149.4168.3173.70000111.5E429V427-E429 HydrophobicContact CG1-CG 4.08Å
428K25.7Very low26.9Very low187 Ų187155.7 Ų155.781%0.81378%0.784SS**  trans-141.2122.8139.8-104.4-152.4162.4-124.20110.5
429E26.1Very low26.6Very low160 Ų160152.9 Ų152.975%0.74878%0.778SS**  trans-84.1167.6167.5-67.4161.897.900111.2V427V427-E429 HydrophobicContact CG1-CG 4.08Å
430E25.8Very low26.7Very low172 Ų172152.8 Ų152.880%0.80478%0.783SS**  trans157.7137.8131.5-86.2162.2-145.300108.7
431S25.9Very low26.7Very low113 Ų113154.4 Ų154.479%0.7978%0.777SS**  cis-164.5171.4-23.749.40000108.5
432E27.5Very low26.7Very low178 Ų178153 Ų15383%0.83278%0.775SS**  trans-70161.3-177.4-56.3165.4109.300114.4
433T24.7Very low26.7Very low146 Ų146152.5 Ų152.590%0.89678%0.78SS**  -175.9134.9117.919.70000113.5
434E27.2Very low26.6Very low174 Ų174151 Ų15181%0.81377%0.774SS**  trans-98.7163.2158.7-70.3-165.6130.800111
435I31.4Very low26.6Very low151 Ų151149.4 Ų149.477%0.77477%0.771SS**  trans164.6116.6149.2-90.1154.2000106.9
436K26.3Very low26.6Very low146 Ų146148.5 Ų148.564%0.63577%0.765SS**  65.8146.373-73.5172155.5-940113.1
437E27.8Very low26.8Very low147 Ų147145.5 Ų145.569%0.68776%0.756SS**  cis-170.9164.2-3.1-111162.2166.200107.3
438V26.1Very low27Very low111 Ų111146.4 Ų146.467%0.67376%0.764SS**  cis-166.1164.9-2.566.30000110.7
439N24.5Very low27Very low130 Ų130144.7 Ų144.770%0.69576%0.757SS**  trans70.5145.4158.3-82.4-4.2000123.4
440V27.8Very low27Very low146 Ų146145.8 Ų145.889%0.88576%0.762SS**  -165.1161.6100.9152.20000109.8
441E26.5Very low27.1Very low169 Ų169144.8 Ų144.879%0.7976%0.757SS**  trans-105.9170.9-155.2-55.2168.3108.100117.5
442D28.1Very low27.2Very low139 Ų139145.5 Ų145.574%0.74376%0.757SS**  trans89.9165.6140-152.518.3000121.3
443S26.5Very low27.7Very low107 Ų107142.7 Ų142.775%0.74875%0.754SS**  trans93.287169.6-62.50000119.2
444K26.3Very low27.9Very low183 Ų183140.7 Ų140.780%0.79675%0.752SS**  trans-33.9152.4155.3-53.4137-177.5157.50114.8
445N24.9Very low27.9Very low143 Ų143141.7 Ų141.777%0.76576%0.757SS**  152.2130.799.5-15750.1000115.1
446V27.5Very low27.8Very low112 Ų112142 Ų14268%0.67976%0.761SS**  trans45.5113.4148.1175.10000121.6
447M28.7Very low28Very low133 Ų133143.2 Ų143.266%0.65577%0.768SS**  31.7147.2119.4-133.2-179.469.500121.5K449M447-K449 HydrophobicContact CE-CB 4.03Å; M447-K449 HydrophobicContact CE-CD 4.26Å; M447-K449 HydrophobicContact CE-CG 3.94Å; M447-K449 HydrophobicContact SD-CG 4.19Å
448P30.8Very low28.1Very low127 Ų127141.7 Ų141.783%0.82577%0.774SS**  -135.2177107.130.2-14.8000115.2
449K27.6Very low28.3Very low151 Ų151142.3 Ų142.366%0.65777%0.769SS**  trans-123.6-171.7-174.1-106.4-165.9174.5-154.90110.8M447M447-K449 HydrophobicContact CE-CB 4.03Å; M447-K449 HydrophobicContact CE-CD 4.26Å; M447-K449 HydrophobicContact CE-CG 3.94Å; M447-K449 HydrophobicContact SD-CG 4.19Å
450E26.1Very low28.6Very low183 Ų183147.1 Ų147.186%0.85578%0.778SS**  trans93.6122.2168.6-55179.5152.600114.1
451E27.3Very low28.9Very low152 Ų152148 Ų14871%0.7177%0.769SS**  cis101.9101.318.6-67.3-168.8176.700117
452T27.1Very low29.1Very low128 Ų128148.5 Ų148.579%0.78577%0.772SS**  trans67.6175.8150.574.40000118
453P38.9Very low29.3Very low119 Ų119148.6 Ų148.677%0.77377%0.773SS**  cis-125.3176.9-19.725.2-4.1000113.2
454A28.3Very low29.7Very low104 Ų104150.7 Ų150.786%0.8677%0.774SS**  trans165.6153.4132.500000113
455E28Very low30.1Very low194 Ų194150.5 Ų150.591%0.90777%0.773SS**  trans-101.8158.2175.3-56.5161.9126.100110.4
456D28.4Very low31.5Very low159 Ų159149.4 Ų149.485%0.8577%0.774SS**  -166.1172.1127.8-138.1-25.3000113.8
457E30.1Very low31.6Very low170 Ų170149.8 Ų149.879%0.79478%0.782SS**  trans-72.9158.8-168.1-61.7-168131.100117.8
458S30.1Very low32Very low115 Ų115151.3 Ų151.380%0.80479%0.791SS**  142.4146.8106.264.60000115.6
459E30.4Very low32.1Very low124 Ų124151.7 Ų151.758%0.57979%0.791SS**  trans-67.8152-179.7-51.2-178.9101.600113.4K461E459-K461 IonicContact OE1-NZ 3.57Å; E459-K461 PolarHBondContact OE1-NZ 3.33Å
460R32.5Very low32.6Very low231 Ų231150.2 Ų150.287%0.87280%0.795SS**  -166.3155.899.4-101.9152.4-161.2-161.45.2115.9
461K32.6Very low33Very low164 Ų164145.7 Ų145.771%0.71378%0.783SS**  trans-87.9145.4-179.6-58.4140.3-179.3132.10109E459E459-K461 IonicContact OE1-NZ 3.57Å; E459-K461 PolarHBondContact OE1-NZ 3.33Å
462E30.9Very low33.5Very low180 Ų180149 Ų14984%0.84179%0.791SS**  -147.8147.7122.8-130.3169.1-149.400110.8
463N32.5Very low34.3Very low142 Ų142151.8 Ų151.876%0.75981%0.813SS**  trans-153.6107.2-170.5-175.8-2.7000108.6
464I35Very low34Very low151 Ų151153.4 Ų153.477%0.77482%0.816SS**  trans-115.5128.8-178-62.9-178000109.3
465K35.3Very low34.3Very low178 Ų178156 Ų15677%0.77481%0.813SS**  trans-90.2-156-177.2-58.4179.1177.8179.50110.7
466P53.9Low34.7Very low121 Ų121153.9 Ų153.979%0.78681%0.808SS**  -129.3-178.6-94.341.2-24.8000112.7
467S29.5Very low35.1Very low120 Ų120153.6 Ų153.684%0.83981%0.806SS**  trans-152.9137.5144.4520000112.7
468L37.9Very low35.4Very low165 Ų165152.6 Ų152.686%0.86481%0.806SS**  trans-84.2158.6156.5-71155.3000108.2
469V32.4Very low35.7Very low135 Ų135155.1 Ų155.182%0.81881%0.806SS**  161137.2121.2160.30000110.8
470T37.6Very low36.1Very low119 Ų119157.3 Ų157.373%0.7382%0.823SS**  trans-37155.2173.957.30000117.5
471S34.9Very low36.4Very low88 Ų88151.6 Ų151.662%0.61582%0.819SS**  172151.793.255.70000115.2
472Y36.9Very low36.7Very low221 Ų221150.6 Ų150.687%0.86783%0.828SS**  trans61.9152.2171.2-54.1-71.5000116.7
473C43.4Very low37.2Very low187 Ų187147.9 Ų147.9100%1.26483%0.826SS**  cis-132.308.5-161.60000112.5

Retrieved 473 of 473 residues in 600.5 ms (Link to these results)

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