A0A077ZNA9_TRITR Loading...

Hist deacetyl domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M43.6Very low54.1Low243 Ų243170.8 Ų170.8100%1.19780%0.798SS**  097.30-166.2168.5161.700108.4R3M1-R3 PolarHBondContact O-N 3.37Å
2K42.4Very low55.2Low210 Ų210167.1 Ų167.191%0.91378%0.78SS**  trans-76.4114.4178.5-75-176.8177.4-179.70108R4K2-R4 PolarHBondContact O-N 3.31Å
3R41.6Very low56.5Low241 Ų241156.6 Ų156.691%0.90974%0.737SS**PPolyproline II helixtrans-60124.9172.2-78.8-175.6172.1-175.4-2.3108.3M1M1-R3 PolarHBondContact O-N 3.37Å
4R45.7Very low58Low232 Ų232149.5 Ų149.588%0.87571%0.706SS**PPolyproline II helixtrans-65.3134.6166.9-79.8-178.6173.4179.3-1.9107.7K2 N6K2-R4 PolarHBondContact O-N 3.31Å; R4-N6 PolarHBondContact O-N 3.36Å
5P51.1Low59.8Low119 Ų119148.9 Ų148.977%0.77371%0.705SS**PPolyproline II helixtrans-59.9132.1172.123-29.1000108.7K7P5-K7 PolarHBondContact O-N 3.09Å
6N55Low61.8Low157 Ų157143.8 Ų143.884%0.8468%0.683SS**PPolyproline II helixtrans-55.9116.5168.7-90.1-6.3000107.1R4 V8R4-N6 PolarHBondContact O-N 3.36Å; N6-V8 PolarHBondContact O-N 3.07Å; N6-V8 VanDerWaalsContact O-N 3.09Å
7K56.3Low63.9Low205 Ų205138.6 Ų138.689%0.89166%0.664SS**  trans-64.6111.8165.3-77.8-171.4175.2-172.30106.2P5 N9P5-K7 PolarHBondContact O-N 3.09Å; K7-N9 PolarHBondContact O-N 3.28Å
8V58.8Low65.8Low80 Ų80130.9 Ų130.949%0.48563%0.627SS.*  trans-58.4122.8167.8-177.50000106.1N6 Q12N6-V8 PolarHBondContact O-N 3.07Å; N6-V8 VanDerWaalsContact O-N 3.09Å; V8-Q12 HydrophobicContact CG1-CB 3.49Å; V8-Q12 VanDerWaalsContact CG1-CB 3.49Å
9N70.6Confident67.5Low89 Ų89125.2 Ų125.248%0.47660%0.599SS.*  trans-60.1151.1174.5-172.617.8000109.2K7 E11 Q12 S13K7-N9 PolarHBondContact O-N 3.28Å; N9-E11 PolarHBondContact O-N 2.85Å; N9-Q12 CarbonylContact O-C 3.47Å; N9-Q12 WeakPolarHBondContact O-CA 3.47Å; N9-Q12 WeakPolarHBondContact O-CB 3.47Å; N9-Q12 PolarHBondContact O-N 3.47Å; N9-S13 PolarHBondContact O-N 3.2Å
10E66.1Low69Low156 Ų156118.9 Ų118.973%0.72957%0.569SS**Hα-helixtrans-53.7-40.7-179.6-75.2-177.3174.900112.1Q12 S13 N14E10-Q12 PolarHBondContact O-N 3.47Å; E10-S13 WeakPolarHBondContact O-CB 3.44Å; E10-S13 PolarHBondContact O-N 2.92Å; E10-S13 VanDerWaalsContact O-N 3.14Å; E10-N14 VanDerWaalsContact O-CG 3.26Å; E10-N14 PolarHBondContact O-N 3.14Å
11E64.4Low70.4Confident147 Ų147114 Ų11469%0.68755%0.548SS*.Hα-helixtrans-59.6-45.1174.2-68.5177.3162.900112.3N9 S13 N14 M15N9-E11 PolarHBondContact O-N 2.85Å; E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.68Å; E11-N14 PolarHBondContact O-N 3.48Å; E11-M15 PolarHBondContact O-N 2.9Å
12Q66.6Low73Confident126 Ų126102.8 Ų102.859%0.58949%0.493SS*.Hα-helixtrans-67.5-33.1175.6-73-178.6-19.400111.8V8 N9 E10 N14 M15V8-Q12 HydrophobicContact CG1-CB 3.49Å; V8-Q12 VanDerWaalsContact CG1-CB 3.49Å; N9-Q12 CarbonylContact O-C 3.47Å; N9-Q12 WeakPolarHBondContact O-CA 3.47Å; N9-Q12 WeakPolarHBondContact O-CB 3.47Å; N9-Q12 PolarHBondContact O-N 3.47Å; E10-Q12 PolarHBondContact O-N 3.47Å; Q12-N14 VanDerWaalsContact C-N 3.32Å; Q12-M15 PolarHBondContact O-N 2.95Å
13S71.8Confident75.5Confident31 Ų31100.4 Ų100.422%0.21749%0.485CS..Hα-helixtrans-68.8-32.9176.5179.10000111.9N9 E10 E11 M15 L16N9-S13 PolarHBondContact O-N 3.2Å; E10-S13 WeakPolarHBondContact O-CB 3.44Å; E10-S13 PolarHBondContact O-N 2.92Å; E10-S13 VanDerWaalsContact O-N 3.14Å; E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.68Å; S13-M15 PolarHBondContact O-N 3.31Å; S13-L16 PolarHBondContact O-N 3.22Å
14N77.6Confident78Confident57 Ų5791 Ų9131%0.30546%0.462SS..Hα-helixtrans-73.5-18177.5-70.5-12.5000112.3E10 E11 Q12 L16 K60 G132 K133 C134 A135E10-N14 VanDerWaalsContact O-CG 3.26Å; E10-N14 PolarHBondContact O-N 3.14Å; E11-N14 PolarHBondContact O-N 3.48Å; Q12-N14 VanDerWaalsContact C-N 3.32Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-K60 PolarHBondContact OD1-NZ 3.39Å; N14-G132 WeakPolarHBondContact CB-O 3.42Å; N14-K133 PolarHBondContact OD1-O 3.38Å; N14-C134 CarbonylContact O-C 3.54Å; N14-C134 VanDerWaalsContact O-CA 3.22Å; N14-C134 WeakPolarHBondContact O-CA 3.36Å; N14-A135 PolarHBondContact O-N 3.31Å; N14-A135 VanDerWaalsContact O-N 3.08Å
15M84.8Confident80.3Confident141 Ų14180 Ų8070%0.69542%0.421SS*.THydrogen-bonded Turntrans-78-13.3172.4-66.3-57.6-71.300113.7E11 Q12 S13E11-M15 PolarHBondContact O-N 2.9Å; Q12-M15 PolarHBondContact O-N 2.95Å; S13-M15 PolarHBondContact O-N 3.31Å
16L92.7Very high82.4Confident67 Ų6780 Ų8035%0.35141%0.41SS..SBendtrans-75.7142.4176.6-66.1175.9000110.7S13 N14 C134S13-L16 PolarHBondContact O-N 3.22Å; N14-L16 VanDerWaalsContact C-N 3.31Å; L16-C134 WeakPolarHBondContact O-CB 3.42Å
17P96.6Very high84.4Confident56 Ų5674.5 Ų74.536%0.36438%0.383SS..PPolyproline II helixtrans-65.5139.5169.228.8-33.8000110.1M59 K60 G136P17-M59 HydrophobicContact CB-CE 3.92Å; P17-M59 HydrophobicContact CG-CE 4.15Å; P17-M59 HydrophobicContact CG-CG 4.16Å; P17-M59 CarbonylContact O-C 3.51Å; P17-M59 VanDerWaalsContact O-CA 3.28Å; P17-M59 WeakPolarHBondContact O-CA 3.49Å; P17-M59 WeakPolarHBondContact O-CB 3.47Å; P17-K60 PolarHBondContact O-N 2.97Å; P17-G136 CarbonylContact C-O 3.38Å; P17-G136 VanDerWaalsContact CA-O 3.32Å; P17-G136 WeakPolarHBondContact CA-O 3.34Å
18G98.1Very high86.4Confident0 Ų064.9 Ų64.90%034%0.341CS..EExtended strand (participates in β ladder)trans-86.1157.8174.600000112.3M59 K60 G136 C137 V138G18-M59 VanDerWaalsContact O-CE 3.24Å; G18-M59 WeakPolarHBondContact O-CE 3.26Å; G18-K60 CarbonylContact C-O 3.57Å; G18-K60 WeakPolarHBondContact CA-O 3.48Å; G18-G136 PolarHBondContact N-O 3.27Å; G18-C137 VanDerWaalsContact C-SG 3.51Å; G18-C137 VanDerWaalsContact O-CA 3.3Å; G18-C137 WeakPolarHBondContact O-CA 3.39Å; G18-C137 PolarHBondContact O-SG 2.66Å; G18-V138 PolarHBondContact O-N 3.31Å; G18-V138 VanDerWaalsContact O-N 3.1Å
19Y98.6Very high88.2Confident21 Ų2166.9 Ų66.98%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-144152.316578.6-76.2000112.3A21 F56 M59 K60 Q61 L62 V138Y19-A21 HydrophobicContact CD2-CB 4.29Å; Y19-A21 HydrophobicContact CE2-CB 4.27Å; Y19-F56 HydrophobicContact CD1-CD1 4.05Å; Y19-F56 AromaticContact CD2-CD1 3.36Å; Y19-F56 HydrophobicContact CD2-CD1 3.36Å; Y19-F56 AromaticContact CD2-CE1 3.51Å; Y19-F56 HydrophobicContact CD2-CE1 3.51Å; Y19-F56 HydrophobicContact CD2-CG 4.07Å; Y19-F56 HydrophobicContact CD2-CZ 4.3Å; Y19-F56 HydrophobicContact CE1-CB 3.88Å; Y19-F56 HydrophobicContact CE1-CD1 4.07Å; Y19-F56 HydrophobicContact CE1-CG 4.24Å; Y19-F56 HydrophobicContact CE2-CB 4.04Å; Y19-F56 AromaticContact CE2-CD1 3.4Å; Y19-F56 HydrophobicContact CE2-CD1 3.4Å; Y19-F56 VanDerWaalsContact CE2-CD1 3.4Å; Y19-F56 HydrophobicContact CE2-CD2 4.15Å; Y19-F56 AromaticContact CE2-CE1 3.82Å; Y19-F56 HydrophobicContact CE2-CE1 3.82Å; Y19-F56 HydrophobicContact CE2-CE2 4.49Å; Y19-F56 AromaticContact CE2-CG 3.6Å; Y19-F56 HydrophobicContact CE2-CG 3.6Å; Y19-F56 HydrophobicContact CE2-CZ 4.35Å; Y19-F56 AromaticContact CG-CD1 3.69Å; Y19-F56 HydrophobicContact CG-CD1 3.69Å; Y19-F56 HydrophobicContact CG-CE1 4.07Å; Y19-F56 AromaticContact CZ-CD1 3.77Å; Y19-F56 AromaticContact CZ-CG 3.7Å; Y19-M59 HydrophobicContact CD1-CB 3.48Å; Y19-M59 VanDerWaalsContact CD1-CB 3.48Å; Y19-M59 HydrophobicContact CD1-CG 4.49Å; Y19-M59 HydrophobicContact CD1-SD 4.36Å; Y19-M59 HydrophobicContact CE1-CB 4.02Å; Y19-M59 HydrophobicContact CG-CB 4.43Å; Y19-M59 HydrophobicContact CG-SD 4.49Å; Y19-K60 PolarHBondContact N-O 3.1Å; Y19-Q61 HydrophobicContact CD1-CB 4.38Å; Y19-Q61 HydrophobicContact CE1-CB 3.6Å; Y19-Q61 HydrophobicContact CE1-CG 4.11Å; Y19-Q61 HydrophobicContact CE2-CG 4.13Å; Y19-Q61 PolarHBondContact OH-OE1 3.49Å; Y19-L62 PolarHBondContact O-N 2.84Å; Y19-V138 CarbonylContact C-O 3.45Å; Y19-V138 WeakPolarHBondContact CA-O 3.28Å
20L98.6Very high89.5Confident0 Ų063.2 Ų63.20%032%0.321CS..EExtended strand (participates in β ladder)trans-124.5135.3165.8-59.493.9000107.7L62 E63 I64 A121 E124 A125 C137 V138 L140L20-L62 HydrophobicContact CD1-CB 4.02Å; L20-L62 HydrophobicContact CD1-CD1 4.02Å; L20-L62 HydrophobicContact CD2-CB 4.07Å; L20-L62 HydrophobicContact CG-CB 3.81Å; L20-E63 VanDerWaalsContact CD2-O 3.25Å; L20-E63 WeakPolarHBondContact CD2-O 3.2Å; L20-I64 HydrophobicContact CB-CD1 4.2Å; L20-I64 HydrophobicContact CB-CG1 3.9Å; L20-I64 HydrophobicContact CD2-CB 4.44Å; L20-I64 HydrophobicContact CD2-CG1 3.57Å; L20-I64 HydrophobicContact CG-CG1 4.29Å; L20-A121 HydrophobicContact CB-CB 4.38Å; L20-A121 HydrophobicContact CD2-CB 4.24Å; L20-E124 HydrophobicContact CD2-CB 4.19Å; L20-A125 HydrophobicContact CD1-CB 3.79Å; L20-C137 VanDerWaalsContact CD1-SG 3.53Å; L20-V138 PolarHBondContact N-O 3.41Å; L20-L140 PolarHBondContact O-N 2.84Å
21A98.2Very high91Very high16 Ų1658.6 Ų58.613%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-125.3114.5175.500000107.9Y19 E23 I47Y19-A21 HydrophobicContact CD2-CB 4.29Å; Y19-A21 HydrophobicContact CE2-CB 4.27Å; A21-E23 PolarHBondContact O-N 3.25Å; A21-I47 HydrophobicContact CB-CD1 3.94Å; A21-I47 HydrophobicContact CB-CG1 4.18Å
22Q97.9Very high92.5Very high7 Ų754.5 Ų54.53%0.03328%0.279CS..  trans-72.7123.9-178.7-168.5-177.6-3.600110.2T25 L43 I64 C114 N117 L140 V141 R142Q22-T25 HydrophobicContact CB-CG2 3.96Å; Q22-T25 VanDerWaalsContact CD-CG2 3.43Å; Q22-T25 HydrophobicContact CG-CG2 3.49Å; Q22-T25 VanDerWaalsContact CG-CG2 3.49Å; Q22-L43 HydrophobicContact CB-CD2 4.1Å; Q22-L43 WeakPolarHBondContact O-CD2 3.2Å; Q22-I64 HydrophobicContact CB-CD1 3.99Å; Q22-I64 HydrophobicContact CG-CD1 4.37Å; Q22-C114 PolarHBondContact NE2-O 3.41Å; Q22-N117 HydrophobicContact CG-CB 4.43Å; Q22-L140 PolarHBondContact N-O 3.33Å; Q22-V141 HydrophobicContact CB-CB 4.46Å; Q22-V141 HydrophobicContact CB-CG1 4.25Å; Q22-R142 VanDerWaalsContact CD-O 3.27Å; Q22-R142 PolarHBondContact NE2-O 3.32Å; Q22-R142 PolarHBondContact OE1-O 2.95Å
23E94.1Very high93.8Very high161 Ų16151.2 Ų51.275%0.75227%0.266SS*.  trans-94.1169.9176.3-61.5-173.6178.700110.9A21 T25A21-E23 PolarHBondContact O-N 3.25Å; E23-T25 PolarHBondContact O-N 3.03Å
24G93.6Very high94.9Very high42 Ų4256 Ų5643%0.43330%0.299SS..  trans69.61.6172.600000116.1H26 V27G24-H26 PolarHBondContact O-N 3.2Å; G24-H26 PolarHBondContact O-ND1 3.4Å; G24-V27 WeakPolarHBondContact O-CG2 3.32Å; G24-V27 PolarHBondContact O-N 3.26Å
25T94.7Very high95.7Very high2 Ų258 Ų581%0.01232%0.318CS..THydrogen-bonded Turntrans-68.73.3-173.373.10000115.4Q22 E23 V27 H28 L43 R142Q22-T25 HydrophobicContact CB-CG2 3.96Å; Q22-T25 VanDerWaalsContact CD-CG2 3.43Å; Q22-T25 HydrophobicContact CG-CG2 3.49Å; Q22-T25 VanDerWaalsContact CG-CG2 3.49Å; E23-T25 PolarHBondContact O-N 3.03Å; T25-V27 PolarHBondContact O-N 3.27Å; T25-H28 PolarHBondContact O-N 3.49Å; T25-L43 HydrophobicContact CG2-CD2 3.62Å; T25-R142 HydrophobicContact CG2-CB 4.33Å; T25-R142 PolarHBondContact O-NH1 3.33Å; T25-R142 PolarHBondContact OG1-NH1 3.15Å
26H95.5Very high96.2Very high118 Ų11853 Ų5355%0.54629%0.293SS..THydrogen-bonded Turntrans-71.1-18.9176.663.4-83.5000112.7G24 R29 P40G24-H26 PolarHBondContact O-N 3.2Å; G24-H26 PolarHBondContact O-ND1 3.4Å; H26-R29 PolarHBondContact O-NH1 3.32Å; H26-P40 HydrophobicContact CB-CB 4.44Å
27V96.6Very high96.3Very high43 Ų4357.3 Ų57.326%0.26131%0.311SS..SBendtrans-70.7-35.7174.2-57.50000111.5G24 T25 R29 C108 E110 C114G24-V27 WeakPolarHBondContact O-CG2 3.32Å; G24-V27 PolarHBondContact O-N 3.26Å; T25-V27 PolarHBondContact O-N 3.27Å; V27-R29 PolarHBondContact O-N 3.13Å; V27-C108 PolarHBondContact O-SG 2.89Å; V27-E110 HydrophobicContact CB-CB 3.84Å; V27-E110 HydrophobicContact CB-CG 3.91Å; V27-E110 HydrophobicContact CG2-CB 3.54Å; V27-E110 HydrophobicContact CG2-CG 4.08Å; V27-C114 WeakPolarHBondContact CG2-SG 3.34Å
28H97.9Very high96.2Very high2 Ų254.8 Ų54.81%0.00929%0.294CS..  trans-76.7102.3172.6175.657.3000111.6T25 E38 Y106 S111 C114 R142T25-H28 PolarHBondContact O-N 3.49Å; H28-E38 IonicContact NE2-OE2 3.92Å; H28-Y106 AromaticContact CE1-CD2 3.98Å; H28-Y106 AromaticContact CE1-CE2 3.26Å; H28-Y106 WeakPolarHBondContact CE1-CE2 3.49Å; H28-Y106 AromaticContact CE1-CZ 3.72Å; H28-Y106 AromaticContact ND1-CE2 3.63Å; H28-Y106 AromaticContact NE2-CE2 3.77Å; H28-Y106 AromaticContact NE2-CZ 3.74Å; H28-S111 PolarHBondContact CE1-OG 2.89Å; H28-S111 VanDerWaalsContact CE1-OG 3.31Å; H28-S111 PolarHBondContact ND1-OG 2.87Å; H28-C114 HydrophobicContact CB-CB 3.87Å; H28-R142 PolarHBondContact CD2-NH2 2.84Å; H28-R142 PolarHBondContact O-NH2 3.35Å
29R97.4Very high96.2Very high122 Ų12256.5 Ų56.546%0.4631%0.306SS..  trans-150.6155.3179.764.1-178.6179.6-89.4-4.2111.9H26 V27 L31 P40 Y106H26-R29 PolarHBondContact O-NH1 3.32Å; V27-R29 PolarHBondContact O-N 3.13Å; R29-L31 PolarHBondContact O-N 2.76Å; R29-P40 HydrophobicContact CB-CG 4.26Å; R29-Y106 VanDerWaalsContact CA-CE2 3.49Å; R29-Y106 WeakPolarHBondContact O-CE2 3.22Å
30C97.5Very high96.1Very high13 Ų1356.9 Ų56.99%0.08831%0.311CS..  trans-70.1129.1174.7-173.90000110D33 H36 Y106C30-D33 WeakPolarHBondContact CB-O 3.34Å; C30-D33 PolarHBondContact SG-N 3.44Å; C30-H36 HydrophobicContact CB-CB 3.98Å; C30-Y106 VanDerWaalsContact CA-CD2 3.46Å; C30-Y106 HydrophobicContact CB-CD1 3.75Å; C30-Y106 HydrophobicContact CB-CD2 3.87Å; C30-Y106 HydrophobicContact CB-CE1 4.1Å; C30-Y106 HydrophobicContact CB-CE2 4.23Å; C30-Y106 HydrophobicContact CB-CG 3.62Å
31L97.2Very high96Very high58 Ų5864.5 Ų64.530%0.30434%0.344SS..SBendtrans-86.1-18.8-176.3-59.3-179.8000113.1R29 R92 L95 C108R29-L31 PolarHBondContact O-N 2.76Å; L31-R92 HydrophobicContact CB-CG 4.17Å; L31-R92 HydrophobicContact CD1-CB 4.5Å; L31-R92 HydrophobicContact CD1-CG 4.5Å; L31-L95 HydrophobicContact CD1-CD1 4.06Å; L31-C108 HydrophobicContact CD1-CB 3.9Å; L31-C108 HydrophobicContact CD2-CB 4.03Å; L31-C108 HydrophobicContact CG-CB 3.87Å
32W96.1Very high95.9Very high61 Ų6169.8 Ų69.823%0.23136%0.361CS..SBendtrans-111.1-15.1-177.650.692.2000114L95 E96 C99W32-L95 HydrophobicContact CH2-CB 4.29Å; W32-L95 HydrophobicContact CZ3-CB 3.93Å; W32-E96 HydrophobicContact CD2-CB 3.97Å; W32-E96 HydrophobicContact CD2-CG 3.76Å; W32-E96 HydrophobicContact CE3-CB 3.76Å; W32-E96 HydrophobicContact CE3-CG 4.09Å; W32-E96 HydrophobicContact CG-CG 3.99Å; W32-E96 HydrophobicContact CH2-CB 4.21Å; W32-E96 HydrophobicContact CZ2-CB 4.39Å; W32-E96 HydrophobicContact CZ2-CG 4.4Å; W32-E96 HydrophobicContact CZ3-CB 3.9Å; W32-C99 HydrophobicContact CH2-CB 4.05Å; W32-C99 HydrophobicContact CZ2-CB 3.9Å
33D95.3Very high95.9Very high57 Ų5769.9 Ų69.931%0.30536%0.361SS..  trans-133.5101.9174.7177.512000111.2C30 S35 H36C30-D33 WeakPolarHBondContact CB-O 3.34Å; C30-D33 PolarHBondContact SG-N 3.44Å; D33-S35 PolarHBondContact O-N 3.08Å; D33-S35 WeakPolarHBondContact OD1-CA 3.33Å; D33-S35 PolarHBondContact OD1-N 3.41Å; D33-S35 PolarHBondContact OD1-OG 2.64Å; D33-H36 HydrophobicContact CB-CB 4.26Å; D33-H36 WeakPolarHBondContact O-CB 3.38Å; D33-H36 PolarHBondContact O-N 2.91Å; D33-H36 PolarHBondContact OD1-N 3.22Å; D33-H36 WeakPolarHBondContact OD2-CA 3.45Å; D33-H36 IonicContact OD2-CD2 3.93Å; D33-H36 PolarHBondContact OD2-N 3.47Å
34S93.4Very high96Very high131 Ų13164.9 Ų64.992%0.91634%0.342SS*.THydrogen-bonded Turntrans-71.7-13.9177.866.40000114.4
35S94.4Very high96.2Very high101 Ų10165.7 Ų65.771%0.70634%0.344SS*.THydrogen-bonded Turntrans-100.15.2179.748.30000113.8D33 E37D33-S35 PolarHBondContact O-N 3.08Å; D33-S35 WeakPolarHBondContact OD1-CA 3.33Å; D33-S35 PolarHBondContact OD1-N 3.41Å; D33-S35 PolarHBondContact OD1-OG 2.64Å; S35-E37 PolarHBondContact O-N 3.01Å
36H94.9Very high96.3Very high34 Ų3468.5 Ų68.516%0.15736%0.362CS..  trans-53.7136-177.4-169.2-83.9000112.4C30 D33 E38 Y106 F156C30-H36 HydrophobicContact CB-CB 3.98Å; D33-H36 HydrophobicContact CB-CB 4.26Å; D33-H36 WeakPolarHBondContact O-CB 3.38Å; D33-H36 PolarHBondContact O-N 2.91Å; D33-H36 PolarHBondContact OD1-N 3.22Å; D33-H36 WeakPolarHBondContact OD2-CA 3.45Å; D33-H36 IonicContact OD2-CD2 3.93Å; D33-H36 PolarHBondContact OD2-N 3.47Å; H36-E38 PolarHBondContact ND1-N 2.96Å; H36-E38 VanDerWaalsContact ND1-N 3.19Å; H36-E38 PolarHBondContact ND1-O 3.36Å; H36-E38 PolarHBondContact O-N 3.47Å; H36-Y106 AromaticContact CE1-CD1 3.51Å; H36-Y106 AromaticContact CE1-CE1 3.69Å; H36-Y106 AromaticContact ND1-CD1 3.65Å; H36-Y106 AromaticContact ND1-CE1 3.5Å; H36-Y106 AromaticContact NE2-CD1 3.82Å; H36-F156 AromaticContact CE1-CD1 3.62Å; H36-F156 AromaticContact CE1-CE1 3.33Å; H36-F156 WeakPolarHBondContact CE1-CE1 3.34Å; H36-F156 AromaticContact NE2-CE1 3.88Å
37E94.9Very high96.4Very high159 Ų15964.3 Ų64.374%0.74334%0.343SS*.SBendtrans-59.6-46.8-173.5-64.2-176.1-175.900112.2S35 C39 R42 F156S35-E37 PolarHBondContact O-N 3.01Å; E37-C39 PolarHBondContact O-N 2.95Å; E37-R42 WeakPolarHBondContact O-CD 3.45Å; E37-F156 HydrophobicContact CB-CZ 4.42Å
38E96.4Very high96.5Very high2 Ų267.4 Ų67.41%0.00936%0.358CS..SBendtrans-72.1111.6167.4-162.3-37.6109.800108.6H28 H36 R42 Y106 R142 F156H28-E38 IonicContact NE2-OE2 3.92Å; H36-E38 PolarHBondContact ND1-N 2.96Å; H36-E38 VanDerWaalsContact ND1-N 3.19Å; H36-E38 PolarHBondContact ND1-O 3.36Å; H36-E38 PolarHBondContact O-N 3.47Å; E38-R42 IonicContact OE1-NH1 3.65Å; E38-Y106 HydrophobicContact CB-CE1 4.06Å; E38-Y106 HydrophobicContact CG-CE1 4.33Å; E38-Y106 WeakPolarHBondContact O-CE1 3.41Å; E38-Y106 PolarHBondContact O-OH 2.89Å; E38-Y106 PolarHBondContact OE2-OH 2.83Å; E38-R142 IonicContact OE1-CZ 3.55Å; E38-R142 IonicContact OE1-NE 2.75Å; E38-R142 PolarHBondContact OE1-NE 3.47Å; E38-R142 IonicContact OE1-NH2 3.51Å; E38-R142 IonicContact OE2-CZ 3.53Å; E38-R142 IonicContact OE2-NE 3.54Å; E38-R142 IonicContact OE2-NH2 2.73Å; E38-R142 PolarHBondContact OE2-NH2 3.3Å; E38-F156 HydrophobicContact CB-CB 4.13Å; E38-F156 HydrophobicContact CB-CD1 3.52Å; E38-F156 HydrophobicContact CB-CD2 4.02Å; E38-F156 HydrophobicContact CB-CE1 3.92Å; E38-F156 HydrophobicContact CB-CE2 4.34Å; E38-F156 HydrophobicContact CB-CG 3.6Å; E38-F156 HydrophobicContact CB-CZ 4.3Å; E38-F156 HydrophobicContact CG-CB 3.6Å; E38-F156 HydrophobicContact CG-CD1 4Å; E38-F156 HydrophobicContact CG-CD2 4.16Å; E38-F156 HydrophobicContact CG-CG 3.64Å
39C96.4Very high96.5Very high36 Ų3672.5 Ų72.524%0.24338%0.382CS..  trans-149.4163-177.465.70000112.3E37 K41 R42 R142E37-C39 PolarHBondContact O-N 2.95Å; C39-K41 PolarHBondContact O-N 3.1Å; C39-R42 WeakPolarHBondContact O-CB 3.39Å; C39-R42 PolarHBondContact O-N 2.91Å; C39-R142 PolarHBondContact O-NE 2.75Å
40P96.7Very high96.5Very high30 Ų3067.9 Ų67.920%0.19537%0.368CS..THydrogen-bonded Turntrans-53.1-29.3179.6-31.537.3000116H26 R29 R42 L43 T44H26-P40 HydrophobicContact CB-CB 4.44Å; R29-P40 HydrophobicContact CB-CG 4.26Å; P40-R42 PolarHBondContact O-N 3.48Å; P40-L43 PolarHBondContact O-N 2.91Å; P40-T44 PolarHBondContact O-N 3.45Å; P40-T44 PolarHBondContact O-OG1 2.84Å
41K96.1Very high96.5Very high159 Ų15971.2 Ų71.269%0.69139%0.388SS*.Hα-helixtrans-63.6-28.3180-71.7-178.9-179.4173.40112.6C39 L43 T44 A45C39-K41 PolarHBondContact O-N 3.1Å; K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 3.29Å; K41-T44 WeakPolarHBondContact CA-OG1 3.47Å; K41-A45 WeakPolarHBondContact O-CB 3.5Å; K41-A45 PolarHBondContact O-N 3.44Å
42R96.1Very high96.6Very high128 Ų12877.1 Ų77.148%0.48341%0.411SS..Hα-helixtrans-58.6-39.9-179.4-66.1-175.169.5-154.88.7112.8E37 E38 C39 P40 T46E37-R42 WeakPolarHBondContact O-CD 3.45Å; E38-R42 IonicContact OE1-NH1 3.65Å; C39-R42 WeakPolarHBondContact O-CB 3.39Å; C39-R42 PolarHBondContact O-N 2.91Å; P40-R42 PolarHBondContact O-N 3.48Å; R42-T46 PolarHBondContact O-OG1 3.17Å
43L97.8Very high96.7Very high8 Ų879.3 Ų79.34%0.04243%0.427CS..Hα-helixtrans-87-48.5177.9-178.661.1000112.1Q22 T25 P40 K41 A45 T46 I47 L140 R142Q22-L43 HydrophobicContact CB-CD2 4.1Å; Q22-L43 WeakPolarHBondContact O-CD2 3.2Å; T25-L43 HydrophobicContact CG2-CD2 3.62Å; P40-L43 PolarHBondContact O-N 2.91Å; K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 3.29Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.35Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3.28Å; L43-T46 VanDerWaalsContact O-N 3.08Å; L43-I47 HydrophobicContact CD1-CD1 3.87Å; L43-I47 HydrophobicContact CD1-CG1 4.05Å; L43-I47 HydrophobicContact CD2-CD1 4.22Å; L43-I47 HydrophobicContact CG-CD1 3.69Å; L43-I47 HydrophobicContact CG-CG1 4.27Å; L43-I47 PolarHBondContact O-N 3.32Å; L43-L140 VanDerWaalsContact CD1-C 3.41Å; L43-L140 HydrophobicContact CD1-CB 3.7Å; L43-L140 WeakPolarHBondContact CD1-O 3.42Å; L43-R142 VanDerWaalsContact CB-CD 3.41Å; L43-R142 HydrophobicContact CB-CG 3.83Å; L43-R142 HydrophobicContact CD2-CB 4.18Å; L43-R142 HydrophobicContact CD2-CG 4.21Å
44T97.2Very high96.8Very high56 Ų5677.7 Ų77.734%0.34442%0.424SS..Hα-helixtrans-62.6-38.9-175.251.20000112.5P40 K41 T46 I47 N48P40-T44 PolarHBondContact O-N 3.45Å; P40-T44 PolarHBondContact O-OG1 2.84Å; K41-T44 WeakPolarHBondContact CA-OG1 3.47Å; T44-T46 VanDerWaalsContact C-N 3.32Å; T44-T46 PolarHBondContact O-N 3.43Å; T44-I47 PolarHBondContact O-N 3.09Å; T44-N48 VanDerWaalsContact O-CB 3.29Å; T44-N48 WeakPolarHBondContact O-CB 3.19Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 3.25Å
45A97.4Very high96.9Very high59 Ų5973.2 Ų73.249%0.48839%0.391SS..Hα-helixtrans-63-40.3174.500000111.8K41 L43 H49K41-A45 WeakPolarHBondContact O-CB 3.5Å; K41-A45 PolarHBondContact O-N 3.44Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.35Å; A45-H49 VanDerWaalsContact O-CB 3.31Å; A45-H49 WeakPolarHBondContact O-CB 3.24Å; A45-H49 PolarHBondContact O-N 2.94Å
46T97.8Very high97Very high61 Ų6169.5 Ų69.537%0.37436%0.362SS..Hα-helixtrans-65.4-49.7177.9-56.90000111.3R42 L43 T44 N48 H49 C50 L140R42-T46 PolarHBondContact O-OG1 3.17Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3.28Å; L43-T46 VanDerWaalsContact O-N 3.08Å; T44-T46 VanDerWaalsContact C-N 3.32Å; T44-T46 PolarHBondContact O-N 3.43Å; T46-N48 VanDerWaalsContact C-N 3.35Å; T46-N48 PolarHBondContact O-N 3.26Å; T46-H49 PolarHBondContact O-N 3.4Å; T46-C50 WeakPolarHBondContact O-CB 3.3Å; T46-C50 PolarHBondContact O-N 2.95Å; T46-C50 PolarHBondContact O-SG 3.5Å; T46-C50 VanDerWaalsContact O-SG 3.37Å; T46-L140 HydrophobicContact CG2-CD2 3.98Å
47I98Very high97.1Very high31 Ų3172.9 Ų72.916%0.15939%0.389CS..Hα-helixtrans-58.5-46.7176.9-68.5173.1000110.7A21 L43 T44 H49 C50 T51 F56 L140A21-I47 HydrophobicContact CB-CD1 3.94Å; A21-I47 HydrophobicContact CB-CG1 4.18Å; L43-I47 HydrophobicContact CD1-CD1 3.87Å; L43-I47 HydrophobicContact CD1-CG1 4.05Å; L43-I47 HydrophobicContact CD2-CD1 4.22Å; L43-I47 HydrophobicContact CG-CD1 3.69Å; L43-I47 HydrophobicContact CG-CG1 4.27Å; L43-I47 PolarHBondContact O-N 3.32Å; T44-I47 PolarHBondContact O-N 3.09Å; I47-H49 VanDerWaalsContact C-N 3.31Å; I47-H49 PolarHBondContact O-N 3.19Å; I47-C50 PolarHBondContact O-N 3.42Å; I47-T51 WeakPolarHBondContact O-CB 3.28Å; I47-T51 PolarHBondContact O-N 2.89Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-F56 HydrophobicContact CG2-CE2 4.09Å; I47-L140 HydrophobicContact CG1-CB 4.42Å; I47-L140 HydrophobicContact CG1-CD1 4.2Å
48N97.6Very high97Very high107 Ų10773.1 Ų73.157%0.57238%0.384SS*.Hα-helixtrans-61.8-40.1178.6-72.4-17.7000111.8T44 T46 T51 K52T44-N48 VanDerWaalsContact O-CB 3.29Å; T44-N48 WeakPolarHBondContact O-CB 3.19Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 3.25Å; T46-N48 VanDerWaalsContact C-N 3.35Å; T46-N48 PolarHBondContact O-N 3.26Å; N48-T51 PolarHBondContact O-N 2.96Å; N48-K52 WeakPolarHBondContact O-CB 3.46Å; N48-K52 PolarHBondContact O-N 2.87Å
49H98.3Very high97Very high110 Ų11074.8 Ų74.851%0.50939%0.392SS..Hα-helixtrans-68.1-46.9178.2-168.265.7000112.1A45 T46 I47 T51 K52 L53A45-H49 VanDerWaalsContact O-CB 3.31Å; A45-H49 WeakPolarHBondContact O-CB 3.24Å; A45-H49 PolarHBondContact O-N 2.94Å; T46-H49 PolarHBondContact O-N 3.4Å; I47-H49 VanDerWaalsContact C-N 3.31Å; I47-H49 PolarHBondContact O-N 3.19Å; H49-T51 VanDerWaalsContact C-N 3.27Å; H49-T51 PolarHBondContact O-N 3.4Å; H49-K52 PolarHBondContact O-N 2.81Å; H49-L53 WeakPolarHBondContact NE2-CD1 3.48Å; H49-L53 WeakPolarHBondContact O-CG 3.35Å; H49-L53 PolarHBondContact O-N 2.91Å
50C98.1Very high97Very high25 Ų2575.1 Ų75.117%0.16939%0.389CS..Hα-helixtrans-58.5-40174.1-70.60000112T46 I47 L53 G54 V55 F56T46-C50 WeakPolarHBondContact O-CB 3.3Å; T46-C50 PolarHBondContact O-N 2.95Å; T46-C50 PolarHBondContact O-SG 3.5Å; T46-C50 VanDerWaalsContact O-SG 3.37Å; I47-C50 PolarHBondContact O-N 3.42Å; C50-L53 PolarHBondContact O-N 2.84Å; C50-G54 PolarHBondContact O-N 3.4Å; C50-V55 HydrophobicContact CB-CB 4.24Å; C50-V55 WeakPolarHBondContact O-CB 3.25Å; C50-V55 PolarHBondContact O-N 3.46Å; C50-F56 HydrophobicContact CB-CD1 4.46Å; C50-F56 HydrophobicContact CB-CD2 4.25Å; C50-F56 HydrophobicContact CB-CE1 3.82Å; C50-F56 HydrophobicContact CB-CE2 3.58Å; C50-F56 HydrophobicContact CB-CZ 3.33Å
51T96.8Very high97Very high82 Ų8279.6 Ų79.650%0.50341%0.407SS..Hα-helixtrans-62.9-50175.1-58.10000111.1I47 N48 H49 L53 G54 F56I47-T51 WeakPolarHBondContact O-CB 3.28Å; I47-T51 PolarHBondContact O-N 2.89Å; I47-T51 PolarHBondContact O-OG1 3.37Å; N48-T51 PolarHBondContact O-N 2.96Å; H49-T51 VanDerWaalsContact C-N 3.27Å; H49-T51 PolarHBondContact O-N 3.4Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-L53 PolarHBondContact O-N 2.91Å; T51-G54 PolarHBondContact O-N 3.37Å; T51-F56 WeakPolarHBondContact OG1-CD2 3.29Å; T51-F56 WeakPolarHBondContact OG1-CE2 3.31Å
52K98.1Very high97.1Very high183 Ų18372.8 Ų72.880%0.79638%0.378SS*.Hα-helixtrans-59.5-37.1178.6-177.5179.3178-179.40112.6N48 H49 G54N48-K52 WeakPolarHBondContact O-CB 3.46Å; N48-K52 PolarHBondContact O-N 2.87Å; H49-K52 PolarHBondContact O-N 2.81Å; K52-G54 PolarHBondContact O-N 3.4Å
53L98.2Very high97.2Very high106 Ų10673.7 Ų73.756%0.55539%0.388SS*.THydrogen-bonded Turntrans-78.6-1.5176.5-68.4-177.9000113.7H49 C50 T51 V55H49-L53 WeakPolarHBondContact NE2-CD1 3.48Å; H49-L53 WeakPolarHBondContact O-CG 3.35Å; H49-L53 PolarHBondContact O-N 2.91Å; C50-L53 PolarHBondContact O-N 2.84Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-L53 PolarHBondContact O-N 2.91Å; L53-V55 HydrophobicContact CB-CG2 3.95Å; L53-V55 PolarHBondContact O-N 3.25Å
54G97.6Very high97.2Very high24 Ų2475 Ų7525%0.24740%0.395CS..THydrogen-bonded Turntrans65.222-177.800000113.5C50 T51 K52 S57C50-G54 PolarHBondContact O-N 3.4Å; T51-G54 PolarHBondContact O-N 3.37Å; K52-G54 PolarHBondContact O-N 3.4Å; G54-S57 PolarHBondContact O-N 3.47Å; G54-S57 PolarHBondContact O-OG 2.94Å
55V97.2Very high97.2Very high37 Ų3777 Ų7722%0.22440%0.402CS..  trans-60.3-52.5179.8173.80000110C50 L53 S57 R58 M59C50-V55 HydrophobicContact CB-CB 4.24Å; C50-V55 WeakPolarHBondContact O-CB 3.25Å; C50-V55 PolarHBondContact O-N 3.46Å; L53-V55 HydrophobicContact CB-CG2 3.95Å; L53-V55 PolarHBondContact O-N 3.25Å; V55-S57 PolarHBondContact O-N 3.36Å; V55-R58 PolarHBondContact O-N 3.45Å; V55-M59 HydrophobicContact CG1-SD 3.67Å; V55-M59 WeakPolarHBondContact O-CG 3.26Å
56F96.5Very high97.3Very high23 Ų2377 Ų7710%0.10140%0.396CS..G310 helixtrans-62.3-27.6-178.1-61-36.3000114.2Y19 I47 C50 T51 R58 M59 L140Y19-F56 HydrophobicContact CD1-CD1 4.05Å; Y19-F56 AromaticContact CD2-CD1 3.36Å; Y19-F56 HydrophobicContact CD2-CD1 3.36Å; Y19-F56 AromaticContact CD2-CE1 3.51Å; Y19-F56 HydrophobicContact CD2-CE1 3.51Å; Y19-F56 HydrophobicContact CD2-CG 4.07Å; Y19-F56 HydrophobicContact CD2-CZ 4.3Å; Y19-F56 HydrophobicContact CE1-CB 3.88Å; Y19-F56 HydrophobicContact CE1-CD1 4.07Å; Y19-F56 HydrophobicContact CE1-CG 4.24Å; Y19-F56 HydrophobicContact CE2-CB 4.04Å; Y19-F56 AromaticContact CE2-CD1 3.4Å; Y19-F56 HydrophobicContact CE2-CD1 3.4Å; Y19-F56 VanDerWaalsContact CE2-CD1 3.4Å; Y19-F56 HydrophobicContact CE2-CD2 4.15Å; Y19-F56 AromaticContact CE2-CE1 3.82Å; Y19-F56 HydrophobicContact CE2-CE1 3.82Å; Y19-F56 HydrophobicContact CE2-CE2 4.49Å; Y19-F56 AromaticContact CE2-CG 3.6Å; Y19-F56 HydrophobicContact CE2-CG 3.6Å; Y19-F56 HydrophobicContact CE2-CZ 4.35Å; Y19-F56 AromaticContact CG-CD1 3.69Å; Y19-F56 HydrophobicContact CG-CD1 3.69Å; Y19-F56 HydrophobicContact CG-CE1 4.07Å; Y19-F56 AromaticContact CZ-CD1 3.77Å; Y19-F56 AromaticContact CZ-CG 3.7Å; I47-F56 HydrophobicContact CG2-CE2 4.09Å; C50-F56 HydrophobicContact CB-CD1 4.46Å; C50-F56 HydrophobicContact CB-CD2 4.25Å; C50-F56 HydrophobicContact CB-CE1 3.82Å; C50-F56 HydrophobicContact CB-CE2 3.58Å; C50-F56 HydrophobicContact CB-CZ 3.33Å; T51-F56 WeakPolarHBondContact OG1-CD2 3.29Å; T51-F56 WeakPolarHBondContact OG1-CE2 3.31Å; F56-R58 PolarHBondContact O-N 3.01Å; F56-R58 VanDerWaalsContact O-N 3.15Å; F56-M59 HydrophobicContact CD1-SD 4.41Å; F56-M59 PolarHBondContact O-N 3.16Å; F56-M59 VanDerWaalsContact O-N 3.13Å; F56-L140 HydrophobicContact CE1-CD1 3.66Å; F56-L140 HydrophobicContact CZ-CD1 3.41Å; F56-L140 VanDerWaalsContact CZ-CD1 3.41Å
57S95.3Very high97.3Very high104 Ų10474.5 Ų74.573%0.72738%0.381SS*.G310 helixtrans-65.3-15.8176.4750000113.7G54 V55G54-S57 PolarHBondContact O-N 3.47Å; G54-S57 PolarHBondContact O-OG 2.94Å; V55-S57 PolarHBondContact O-N 3.36Å
58R94.4Very high97.3Very high165 Ų16576.8 Ų76.862%0.62340%0.397SS*.G310 helixtrans-104.910.4179.6-58.9-179.9-69.4149.1-1.7112.5V55 F56V55-R58 PolarHBondContact O-N 3.45Å; F56-R58 PolarHBondContact O-N 3.01Å; F56-R58 VanDerWaalsContact O-N 3.15Å
59M96.7Very high97.4Very high37 Ų3775.5 Ų75.518%0.18239%0.387CS..SBendtrans-131.1157.3-172.4-57-177.178.100110.5P17 G18 Y19 V55 F56 V138P17-M59 HydrophobicContact CB-CE 3.92Å; P17-M59 HydrophobicContact CG-CE 4.15Å; P17-M59 HydrophobicContact CG-CG 4.16Å; P17-M59 CarbonylContact O-C 3.51Å; P17-M59 VanDerWaalsContact O-CA 3.28Å; P17-M59 WeakPolarHBondContact O-CA 3.49Å; P17-M59 WeakPolarHBondContact O-CB 3.47Å; G18-M59 VanDerWaalsContact O-CE 3.24Å; G18-M59 WeakPolarHBondContact O-CE 3.26Å; Y19-M59 HydrophobicContact CD1-CB 3.48Å; Y19-M59 VanDerWaalsContact CD1-CB 3.48Å; Y19-M59 HydrophobicContact CD1-CG 4.49Å; Y19-M59 HydrophobicContact CD1-SD 4.36Å; Y19-M59 HydrophobicContact CE1-CB 4.02Å; Y19-M59 HydrophobicContact CG-CB 4.43Å; Y19-M59 HydrophobicContact CG-SD 4.49Å; V55-M59 HydrophobicContact CG1-SD 3.67Å; V55-M59 WeakPolarHBondContact O-CG 3.26Å; F56-M59 HydrophobicContact CD1-SD 4.41Å; F56-M59 PolarHBondContact O-N 3.16Å; F56-M59 VanDerWaalsContact O-N 3.13Å; M59-V138 HydrophobicContact CE-CG1 3.81Å
60K95.2Very high97.4Very high43 Ų4376.4 Ų76.419%0.18740%0.396CS..EExtended strand (participates in β ladder)trans-86.2114.5174.5-176.3175.7-177.8173.90109.3N14 P17 G18 Y19 L62 K133N14-K60 PolarHBondContact OD1-NZ 3.39Å; P17-K60 PolarHBondContact O-N 2.97Å; G18-K60 CarbonylContact C-O 3.57Å; G18-K60 WeakPolarHBondContact CA-O 3.48Å; Y19-K60 PolarHBondContact N-O 3.1Å; K60-L62 HydrophobicContact CD-CD2 4.34Å; K60-L62 HydrophobicContact CG-CD2 4.18Å; K60-L62 PolarHBondContact O-N 3.08Å; K60-K133 PolarHBondContact NZ-O 3.23Å
61Q97.1Very high97.4Very high123 Ų12376.5 Ų76.558%0.57540%0.396SS*.EExtended strand (participates in β ladder)trans-70.3131.2173.1-168.7171.9-000109.6Y19Y19-Q61 HydrophobicContact CD1-CB 4.38Å; Y19-Q61 HydrophobicContact CE1-CB 3.6Å; Y19-Q61 HydrophobicContact CE1-CG 4.11Å; Y19-Q61 HydrophobicContact CE2-CG 4.13Å; Y19-Q61 PolarHBondContact OH-OE1 3.49Å
62L97.7Very high97.5Very high16 Ų1672.6 Ų72.68%0.08437%0.372CS..  trans-110.8157.9173.6-53.7173.4000109.9Y19 L20 K60 A128 K133Y19-L62 PolarHBondContact O-N 2.84Å; L20-L62 HydrophobicContact CD1-CB 4.02Å; L20-L62 HydrophobicContact CD1-CD1 4.02Å; L20-L62 HydrophobicContact CD2-CB 4.07Å; L20-L62 HydrophobicContact CG-CB 3.81Å; K60-L62 HydrophobicContact CD-CD2 4.34Å; K60-L62 HydrophobicContact CG-CD2 4.18Å; K60-L62 PolarHBondContact O-N 3.08Å; L62-A128 HydrophobicContact CD1-CB 3.46Å; L62-A128 VanDerWaalsContact CD1-CB 3.46Å; L62-K133 HydrophobicContact CD2-CD 4.17Å
63E97.6Very high97.5Very high148 Ų14866.4 Ų66.469%0.69235%0.349SS*.PPolyproline II helixtrans-86.4141-179.9-174.6173.6-168.600110.8L20L20-E63 VanDerWaalsContact CD2-O 3.25Å; L20-E63 WeakPolarHBondContact CD2-O 3.2Å
64I98.5Very high97.6Very high36 Ų3665.5 Ų65.519%0.18534%0.344CS..PPolyproline II helixtrans-92.2120.7174.5-63.1174.6000108.2L20 Q22 N117 A121L20-I64 HydrophobicContact CB-CD1 4.2Å; L20-I64 HydrophobicContact CB-CG1 3.9Å; L20-I64 HydrophobicContact CD2-CB 4.44Å; L20-I64 HydrophobicContact CD2-CG1 3.57Å; L20-I64 HydrophobicContact CG-CG1 4.29Å; Q22-I64 HydrophobicContact CB-CD1 3.99Å; Q22-I64 HydrophobicContact CG-CD1 4.37Å; I64-N117 HydrophobicContact CG2-CB 4.25Å; I64-N117 WeakPolarHBondContact CG2-O 3.37Å; I64-A121 HydrophobicContact CB-CB 4.36Å; I64-A121 HydrophobicContact CD1-CB 3.91Å; I64-A121 HydrophobicContact CG1-CB 3.73Å; I64-A121 HydrophobicContact CG2-CB 3.87Å
65M98.2Very high97.6Very high98 Ų9866.9 Ų66.948%0.48334%0.344SS..PPolyproline II helixtrans-102.2132.5166.9-64.1-59.8-65.700108.7C67 G120 E124M65-C67 PolarHBondContact O-N 2.95Å; M65-G120 CarbonylContact O-C 3.6Å; M65-G120 WeakPolarHBondContact O-CA 3.46Å; M65-E124 HydrophobicContact CB-CG 4.25Å; M65-E124 HydrophobicContact CG-CG 4.46Å
66P98.3Very high97.7Very high58 Ų5865.2 Ų65.238%0.37733%0.334SS..PPolyproline II helixtrans-56.2138.2172.9-21.429.9000111.2T68 L116 N117P66-T68 PolarHBondContact O-N 3.36Å; P66-L116 HydrophobicContact CB-CB 4.22Å; P66-N117 WeakPolarHBondContact CG-OD1 3.36Å
67C98.5Very high97.8Very high9 Ų965.6 Ų65.66%0.06134%0.339CS..PPolyproline II helixtrans-65134.5175.1-156.80000110.3M65 V71 L72 L116 C119M65-C67 PolarHBondContact O-N 2.95Å; C67-V71 VanDerWaalsContact SG-CG1 3.51Å; C67-L72 HydrophobicContact CB-CD2 4.27Å; C67-L72 HydrophobicContact CB-CG 4.26Å; C67-L116 WeakPolarHBondContact CB-O 3.5Å; C67-L116 PolarHBondContact N-O 2.75Å; C67-C119 HydrophobicContact CB-CB 3.96Å; C67-C119 VanDerWaalsContact SG-SG 3.6Å
68T98.4Very high98Very high78 Ų7862.3 Ų62.348%0.47932%0.318SS..PPolyproline II helixtrans-82160.4175.263.90000110.8P66 D70 V71 L72P66-T68 PolarHBondContact O-N 3.36Å; T68-D70 VanDerWaalsContact C-N 3.3Å; T68-D70 PolarHBondContact O-N 3.31Å; T68-V71 PolarHBondContact O-N 3.24Å; T68-V71 WeakPolarHBondContact OG1-CG2 3.35Å; T68-V71 PolarHBondContact OG1-N 3.44Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.31Å
69E98.3Very high98.2Very high81 Ų8161.1 Ų61.138%0.37932%0.32SS..Hα-helixtrans-58.3-43.6174.7-177167.3176.900111.3V71 L72 T73 V81 R82E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 2.88Å; E69-L72 WeakPolarHBondContact O-CB 3.11Å; E69-L72 PolarHBondContact O-N 2.87Å; E69-L72 VanDerWaalsContact O-N 3.15Å; E69-T73 HydrophobicContact CG-CG2 4.24Å; E69-T73 VanDerWaalsContact O-CG2 3.31Å; E69-T73 WeakPolarHBondContact O-CG2 3.39Å; E69-T73 PolarHBondContact O-N 3.3Å; E69-T73 PolarHBondContact O-OG1 2.93Å; E69-V81 HydrophobicContact CG-CG1 3.95Å; E69-R82 IonicContact OE1-NH1 3.83Å
70D98.5Very high98.3Very high128 Ų12859.5 Ų59.568%0.68431%0.312SS*.Hα-helixtrans-55-44.8177.4-65.8-20.2000112T68 T73T68-D70 VanDerWaalsContact C-N 3.3Å; T68-D70 PolarHBondContact O-N 3.31Å; D70-T73 PolarHBondContact O-N 3.01Å; D70-T73 PolarHBondContact O-OG1 3.31Å
71V98.8Very high98.4Very high28 Ų2857.4 Ų57.417%0.1730%0.303CS..Hα-helixtrans-70.4-41.5178.7176.80000111.3C67 T68 E69 T73 L74 V123 V164 Y168C67-V71 VanDerWaalsContact SG-CG1 3.51Å; T68-V71 PolarHBondContact O-N 3.24Å; T68-V71 WeakPolarHBondContact OG1-CG2 3.35Å; T68-V71 PolarHBondContact OG1-N 3.44Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 2.88Å; V71-T73 PolarHBondContact O-N 2.9Å; V71-L74 HydrophobicContact CG1-CD1 4.31Å; V71-L74 VanDerWaalsContact O-CB 3.31Å; V71-L74 WeakPolarHBondContact O-CB 3.44Å; V71-L74 WeakPolarHBondContact O-CG 3.49Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L74 VanDerWaalsContact O-N 3.15Å; V71-V123 HydrophobicContact CG1-CG1 4.45Å; V71-V123 HydrophobicContact CG1-CG2 4.09Å; V71-V164 HydrophobicContact CG1-CG1 3.77Å; V71-V164 WeakPolarHBondContact O-CG1 3.41Å; V71-Y168 HydrophobicContact CG1-CD2 4.21Å; V71-Y168 HydrophobicContact CG2-CD2 4.45Å
72L98.9Very high98.5Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-57.6-37.8174.5-74.1173.6000112C67 T68 E69 L74 F75 H76 V81 L116 C119 F159 V164C67-L72 HydrophobicContact CB-CD2 4.27Å; C67-L72 HydrophobicContact CB-CG 4.26Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.31Å; E69-L72 WeakPolarHBondContact O-CB 3.11Å; E69-L72 PolarHBondContact O-N 2.87Å; E69-L72 VanDerWaalsContact O-N 3.15Å; L72-L74 PolarHBondContact O-N 2.94Å; L72-F75 PolarHBondContact O-N 3.04Å; L72-H76 PolarHBondContact O-N 3.41Å; L72-V81 HydrophobicContact CB-CG1 4.45Å; L72-V81 HydrophobicContact CB-CG2 3.84Å; L72-V81 HydrophobicContact CD1-CG1 3.76Å; L72-V81 HydrophobicContact CD1-CG2 4.35Å; L72-L116 HydrophobicContact CD1-CD2 3.53Å; L72-C119 HydrophobicContact CD2-CB 4.27Å; L72-F159 HydrophobicContact CD1-CD2 4.26Å; L72-F159 HydrophobicContact CD1-CE1 4.43Å; L72-F159 HydrophobicContact CD1-CE2 3.9Å; L72-F159 HydrophobicContact CD1-CZ 4.01Å; L72-F159 HydrophobicContact CD2-CB 4.13Å; L72-F159 HydrophobicContact CD2-CD1 4.23Å; L72-F159 HydrophobicContact CD2-CD2 3.89Å; L72-F159 HydrophobicContact CD2-CE2 4.37Å; L72-F159 HydrophobicContact CD2-CG 3.83Å; L72-V164 HydrophobicContact CD2-CG2 4.22Å
73T98.7Very high98.5Very high52 Ų5260.1 Ų60.132%0.31931%0.308SS..THydrogen-bonded Turntrans-74.7-6.2-178.4620000114.9E69 D70 V71 F75 H76 A78 V81E69-T73 HydrophobicContact CG-CG2 4.24Å; E69-T73 VanDerWaalsContact O-CG2 3.31Å; E69-T73 WeakPolarHBondContact O-CG2 3.39Å; E69-T73 PolarHBondContact O-N 3.3Å; E69-T73 PolarHBondContact O-OG1 2.93Å; D70-T73 PolarHBondContact O-N 3.01Å; D70-T73 PolarHBondContact O-OG1 3.31Å; V71-T73 PolarHBondContact O-N 2.9Å; T73-F75 PolarHBondContact O-N 2.85Å; T73-H76 VanDerWaalsContact CA-O 3.3Å; T73-H76 WeakPolarHBondContact CA-O 3.48Å; T73-A78 HydrophobicContact CG2-CB 3.9Å; T73-V81 HydrophobicContact CG2-CG2 4.27Å
74L98.7Very high98.6Very high87 Ų8753 Ų5346%0.45528%0.275SS..THydrogen-bonded Turntrans-62.3-29.7168.1-62.2176.4000111.6V71 L72 Y168V71-L74 HydrophobicContact CG1-CD1 4.31Å; V71-L74 VanDerWaalsContact O-CB 3.31Å; V71-L74 WeakPolarHBondContact O-CB 3.44Å; V71-L74 WeakPolarHBondContact O-CG 3.49Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L74 VanDerWaalsContact O-N 3.15Å; L72-L74 PolarHBondContact O-N 2.94Å; L74-Y168 HydrophobicContact CD1-CD2 4.28Å
75F98.8Very high98.6Very high53 Ų5352.5 Ų52.523%0.23228%0.276CS..THydrogen-bonded Turntrans-112.6-52176.6-176.6-91.7000112.5L72 T73 K150 N160 V164L72-F75 PolarHBondContact O-N 3.04Å; T73-F75 PolarHBondContact O-N 2.85Å; F75-K150 WeakPolarHBondContact O-CG 3.32Å; F75-N160 HydrophobicContact CD1-CB 3.93Å; F75-N160 HydrophobicContact CE1-CB 3.56Å; F75-N160 HydrophobicContact CZ-CB 4.1Å; F75-V164 HydrophobicContact CB-CG2 3.8Å
76H98.8Very high98.6Very high3 Ų353.1 Ų53.11%0.01428%0.281CS..SBendtrans-83.4157.2-175.2-70.9-69.5000112.5L72 T73 F80 V81 M149 K150 F159 N160L72-H76 PolarHBondContact O-N 3.41Å; T73-H76 VanDerWaalsContact CA-O 3.3Å; T73-H76 WeakPolarHBondContact CA-O 3.48Å; H76-F80 HydrophobicContact CB-CD1 4Å; H76-F80 AromaticContact CE1-CE1 3.71Å; H76-F80 AromaticContact CG-CD1 3.78Å; H76-F80 AromaticContact ND1-CD1 3.4Å; H76-F80 WeakPolarHBondContact ND1-CD1 3.44Å; H76-F80 AromaticContact ND1-CE1 3.48Å; H76-F80 WeakPolarHBondContact ND1-CE1 3.21Å; H76-V81 HydrophobicContact CB-CG2 3.87Å; H76-M149 PolarHBondContact CE1-O 3.39Å; H76-M149 PolarHBondContact ND1-O 2.83Å; H76-K150 VanDerWaalsContact CA-O 3.31Å; H76-K150 WeakPolarHBondContact CA-O 3Å; H76-K150 PolarHBondContact ND1-O 3.13Å; H76-F159 AromaticContact CD2-CD1 3.8Å; H76-F159 WeakPolarHBondContact NE2-CA 3.5Å; H76-F159 AromaticContact NE2-CD1 3.86Å; H76-N160 PolarHBondContact NE2-N 3.28Å
77S98.7Very high98.6Very high31 Ų3150.4 Ų50.422%0.21726%0.263CS..  trans-70.6147.1165.865.60000111.2E79 F80 V81 K150 N151S77-E79 PolarHBondContact O-N 2.89Å; S77-F80 WeakPolarHBondContact O-CB 3.36Å; S77-F80 PolarHBondContact O-N 2.9Å; S77-F80 VanDerWaalsContact OG-CB 3.3Å; S77-F80 WeakPolarHBondContact OG-CB 3.47Å; S77-F80 PolarHBondContact OG-N 2.91Å; S77-F80 VanDerWaalsContact OG-N 3.12Å; S77-V81 PolarHBondContact O-N 3.39Å; S77-K150 PolarHBondContact N-O 3.18Å; S77-N151 WeakPolarHBondContact CB-OD1 3.37Å; S77-N151 PolarHBondContact OG-OD1 3.35Å
78A98.6Very high98.6Very high35 Ų3553 Ų5329%0.28928%0.275SS..Hα-helixtrans-60.5-31.517400000112.2T73 R82T73-A78 HydrophobicContact CG2-CB 3.9Å; A78-R82 WeakPolarHBondContact O-CB 3.45Å; A78-R82 WeakPolarHBondContact O-CG 3.25Å; A78-R82 PolarHBondContact O-N 3.43Å
79E98.6Very high98.5Very high140 Ų14060.2 Ų60.265%0.65429%0.293SS*.Hα-helixtrans-62.6-45.1172.8-172.8-172.8155.700111.7S77 R82 K83S77-E79 PolarHBondContact O-N 2.89Å; E79-R82 PolarHBondContact O-N 2.89Å; E79-K83 VanDerWaalsContact O-CB 3.26Å; E79-K83 WeakPolarHBondContact O-CB 3.36Å; E79-K83 PolarHBondContact O-N 2.86Å
80F98.6Very high98.5Very high2 Ų258.6 Ų58.61%0.00929%0.286CS..Hα-helixtrans-63.8-45.6177.5178.5-110.2000112H76 S77 R82 K83 I84 N151 E152 S153 F159H76-F80 HydrophobicContact CB-CD1 4Å; H76-F80 AromaticContact CE1-CE1 3.71Å; H76-F80 AromaticContact CG-CD1 3.78Å; H76-F80 AromaticContact ND1-CD1 3.4Å; H76-F80 WeakPolarHBondContact ND1-CD1 3.44Å; H76-F80 AromaticContact ND1-CE1 3.48Å; H76-F80 WeakPolarHBondContact ND1-CE1 3.21Å; S77-F80 WeakPolarHBondContact O-CB 3.36Å; S77-F80 PolarHBondContact O-N 2.9Å; S77-F80 VanDerWaalsContact OG-CB 3.3Å; S77-F80 WeakPolarHBondContact OG-CB 3.47Å; S77-F80 PolarHBondContact OG-N 2.91Å; S77-F80 VanDerWaalsContact OG-N 3.12Å; F80-R82 VanDerWaalsContact C-N 3.35Å; F80-R82 PolarHBondContact O-N 3.08Å; F80-K83 WeakPolarHBondContact O-CB 3.37Å; F80-K83 PolarHBondContact O-N 3.25Å; F80-I84 HydrophobicContact CD2-CG1 4.32Å; F80-I84 HydrophobicContact CE1-CG1 4.16Å; F80-I84 HydrophobicContact CE2-CD1 3.86Å; F80-I84 HydrophobicContact CE2-CG1 3.87Å; F80-I84 HydrophobicContact CZ-CD1 3.99Å; F80-I84 HydrophobicContact CZ-CG1 3.8Å; F80-I84 WeakPolarHBondContact O-CG1 3.44Å; F80-I84 PolarHBondContact O-N 3.48Å; F80-N151 WeakPolarHBondContact CD2-O 3.28Å; F80-N151 WeakPolarHBondContact CE2-O 3.43Å; F80-E152 VanDerWaalsContact CZ-C 3.5Å; F80-S153 WeakPolarHBondContact CZ-OG 3.36Å; F80-F159 HydrophobicContact CD1-CD1 4.41Å; F80-F159 HydrophobicContact CD1-CE1 4.24Å; F80-F159 AromaticContact CE1-CD1 3.89Å; F80-F159 HydrophobicContact CE1-CD1 3.89Å; F80-F159 AromaticContact CE1-CE1 3.98Å; F80-F159 HydrophobicContact CE1-CE1 3.98Å
81V98.8Very high98.5Very high0 Ų054.6 Ų54.60%027%0.268CS..Hα-helixtrans-58.3-47.7178177.90000110.9E69 L72 T73 H76 S77 K83 I84 A85 F159E69-V81 HydrophobicContact CG-CG1 3.95Å; L72-V81 HydrophobicContact CB-CG1 4.45Å; L72-V81 HydrophobicContact CB-CG2 3.84Å; L72-V81 HydrophobicContact CD1-CG1 3.76Å; L72-V81 HydrophobicContact CD1-CG2 4.35Å; T73-V81 HydrophobicContact CG2-CG2 4.27Å; H76-V81 HydrophobicContact CB-CG2 3.87Å; S77-V81 PolarHBondContact O-N 3.39Å; V81-K83 PolarHBondContact O-N 2.97Å; V81-I84 PolarHBondContact O-N 3.27Å; V81-A85 PolarHBondContact O-N 3.28Å; V81-F159 HydrophobicContact CG1-CZ 4.39Å; V81-F159 HydrophobicContact CG2-CE1 4.2Å
82R98.4Very high98.5Very high131 Ų13159.1 Ų59.149%0.49428%0.282SS..Hα-helixtrans-62.8-41.4176.2-72.8-170.6-65.3-89.83.8112.7E69 A78 E79 F80 I84 A85 L86E69-R82 IonicContact OE1-NH1 3.83Å; A78-R82 WeakPolarHBondContact O-CB 3.45Å; A78-R82 WeakPolarHBondContact O-CG 3.25Å; A78-R82 PolarHBondContact O-N 3.43Å; E79-R82 PolarHBondContact O-N 2.89Å; F80-R82 VanDerWaalsContact C-N 3.35Å; F80-R82 PolarHBondContact O-N 3.08Å; R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.36Å; R82-A85 PolarHBondContact O-N 2.97Å; R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 3.42Å
83K98.2Very high98.5Very high64 Ų6464 Ų6428%0.27831%0.305SS..Hα-helixtrans-58.8-41.4177.6178.1179.451.8166.40111.6E79 F80 V81 F98 Y102E79-K83 VanDerWaalsContact O-CB 3.26Å; E79-K83 WeakPolarHBondContact O-CB 3.36Å; E79-K83 PolarHBondContact O-N 2.86Å; F80-K83 WeakPolarHBondContact O-CB 3.37Å; F80-K83 PolarHBondContact O-N 3.25Å; V81-K83 PolarHBondContact O-N 2.97Å; K83-F98 HydrophobicContact CD-CE2 4.4Å; K83-F98 HydrophobicContact CD-CZ 4.36Å; K83-F98 HydrophobicContact CG-CE2 3.8Å; K83-F98 HydrophobicContact CG-CZ 3.85Å; K83-Y102 WeakPolarHBondContact CE-OH 3.26Å; K83-Y102 PolarHBondContact NZ-OH 3.19Å
84I98.6Very high98.5Very high0 Ų066.2 Ų66.20%031%0.312CS..Hα-helixtrans-71.3-42174.8-59-61.6000111F80 V81 R82 L86 T87 F98 L107 Y112 I158 F159F80-I84 HydrophobicContact CD2-CG1 4.32Å; F80-I84 HydrophobicContact CE1-CG1 4.16Å; F80-I84 HydrophobicContact CE2-CD1 3.86Å; F80-I84 HydrophobicContact CE2-CG1 3.87Å; F80-I84 HydrophobicContact CZ-CD1 3.99Å; F80-I84 HydrophobicContact CZ-CG1 3.8Å; F80-I84 WeakPolarHBondContact O-CG1 3.44Å; F80-I84 PolarHBondContact O-N 3.48Å; V81-I84 PolarHBondContact O-N 3.27Å; R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.36Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.38Å; I84-T87 VanDerWaalsContact O-CB 3.32Å; I84-T87 WeakPolarHBondContact O-CB 3.34Å; I84-T87 WeakPolarHBondContact O-CG2 3.37Å; I84-T87 PolarHBondContact O-N 3.25Å; I84-T87 PolarHBondContact O-OG1 3.03Å; I84-F98 HydrophobicContact CD1-CE1 4.11Å; I84-F98 HydrophobicContact CD1-CZ 4.05Å; I84-L107 HydrophobicContact CD1-CD1 4.41Å; I84-Y112 HydrophobicContact CG2-CD2 3.95Å; I84-I158 HydrophobicContact CG2-CG2 3.63Å; I84-F159 HydrophobicContact CB-CE1 4.19Å; I84-F159 HydrophobicContact CB-CZ 3.92Å; I84-F159 HydrophobicContact CG1-CE1 4.14Å; I84-F159 HydrophobicContact CG1-CZ 4.37Å; I84-F159 HydrophobicContact CG2-CE1 4.41Å; I84-F159 HydrophobicContact CG2-CE2 4.37Å; I84-F159 HydrophobicContact CG2-CZ 3.85Å
85A98.7Very high98.5Very high25 Ų2562.1 Ų62.121%0.20729%0.29CS..Hα-helixtrans-58.6-36.6178.100000112.8V81 R82 T87 E88 Y112V81-A85 PolarHBondContact O-N 3.28Å; R82-A85 PolarHBondContact O-N 2.97Å; A85-T87 PolarHBondContact O-N 3.31Å; A85-T87 VanDerWaalsContact O-N 3.14Å; A85-E88 WeakPolarHBondContact O-CG 3.37Å; A85-E88 PolarHBondContact O-N 3.04Å; A85-Y112 HydrophobicContact CB-CD1 4.38Å; A85-Y112 HydrophobicContact CB-CD2 4.23Å; A85-Y112 HydrophobicContact CB-CE1 3.9Å; A85-Y112 HydrophobicContact CB-CE2 3.76Å; A85-Y112 HydrophobicContact CB-CG 4.5Å
86L98.3Very high98.4Very high111 Ų11162.7 Ų62.758%0.58129%0.293SS*.G310 helixtrans-62.4-20.2176.7-71.9170.7000113.7R82 I84 E88 R89R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 3.42Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.38Å; L86-E88 PolarHBondContact O-N 3.31Å; L86-R89 PolarHBondContact O-N 3.43Å
87T98.4Very high98.4Very high0 Ų070.9 Ų70.90%032%0.324CS..G310 helixtrans-68.5-19.7-179.969.20000113.3I84 A85 R89 M90 F98 L107I84-T87 VanDerWaalsContact O-CB 3.32Å; I84-T87 WeakPolarHBondContact O-CB 3.34Å; I84-T87 WeakPolarHBondContact O-CG2 3.37Å; I84-T87 PolarHBondContact O-N 3.25Å; I84-T87 PolarHBondContact O-OG1 3.03Å; A85-T87 PolarHBondContact O-N 3.31Å; A85-T87 VanDerWaalsContact O-N 3.14Å; T87-R89 PolarHBondContact O-N 3.31Å; T87-M90 HydrophobicContact CG2-CE 4.22Å; T87-M90 HydrophobicContact CG2-SD 3.95Å; T87-M90 PolarHBondContact O-N 3.21Å; T87-F98 HydrophobicContact CG2-CD1 4.05Å; T87-F98 HydrophobicContact CG2-CD2 3.99Å; T87-F98 HydrophobicContact CG2-CE1 3.74Å; T87-F98 HydrophobicContact CG2-CE2 3.72Å; T87-F98 HydrophobicContact CG2-CG 4.2Å; T87-F98 HydrophobicContact CG2-CZ 3.59Å; T87-L107 HydrophobicContact CG2-CD1 3.81Å
88E98.1Very high98.4Very high65 Ų6570 Ų7030%0.30432%0.317SS..G310 helixtrans-58.1-23.9176.4-67-169.1110.500113.3A85 L86 C109 Y112 Q113A85-E88 WeakPolarHBondContact O-CG 3.37Å; A85-E88 PolarHBondContact O-N 3.04Å; L86-E88 PolarHBondContact O-N 3.31Å; E88-C109 WeakPolarHBondContact CA-O 3.31Å; E88-C109 WeakPolarHBondContact CG-O 3.3Å; E88-C109 WeakPolarHBondContact O-CB 3.46Å; E88-C109 PolarHBondContact O-SG 2.82Å; E88-Y112 HydrophobicContact CG-CD1 3.89Å; E88-Y112 HydrophobicContact CG-CG 4.08Å; E88-Y112 VanDerWaalsContact OE2-CD1 3.29Å; E88-Y112 WeakPolarHBondContact OE2-CD1 3.44Å; E88-Q113 WeakPolarHBondContact OE1-CG 3.26Å
89R97.9Very high98.4Very high229 Ų22968.4 Ų68.486%0.86430%0.303SS*.G310 helixtrans-106.92.1-174.5-57.3-176-177.6-168.70.2113.9L86 T87L86-R89 PolarHBondContact O-N 3.43Å; T87-R89 PolarHBondContact O-N 3.31Å
90M98.5Very high98.2Very high46 Ų4667.2 Ų67.223%0.22730%0.301CS..  trans-81.6148.5-176.1-73.9-179.6-175.300111.7T87 E94 L95 F98T87-M90 HydrophobicContact CG2-CE 4.22Å; T87-M90 HydrophobicContact CG2-SD 3.95Å; T87-M90 PolarHBondContact O-N 3.21Å; M90-E94 WeakPolarHBondContact CA-OE2 3.01Å; M90-E94 HydrophobicContact CB-CB 3.84Å; M90-E94 HydrophobicContact CG-CB 4.15Å; M90-E94 HydrophobicContact SD-CB 4.45Å; M90-L95 HydrophobicContact CB-CD2 4Å; M90-L95 HydrophobicContact CB-CG 3.74Å; M90-L95 HydrophobicContact SD-CD2 4.49Å; M90-F98 HydrophobicContact CE-CD2 3.85Å; M90-F98 HydrophobicContact CE-CE2 4.27Å; M90-F98 HydrophobicContact SD-CB 4.28Å; M90-F98 HydrophobicContact SD-CD2 3.94Å; M90-F98 HydrophobicContact SD-CG 4.3Å
91S98.3Very high98.1Very high45 Ų4574.6 Ų74.632%0.31533%0.329SS..  trans-66.5167.3167.893.90000111E93 E94 L95S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 PolarHBondContact O-N 3.37Å; S91-E93 PolarHBondContact OG-N 2.73Å; S91-E93 PolarHBondContact OG-OE2 2.86Å; S91-E94 PolarHBondContact N-OE2 3.46Å; S91-E94 PolarHBondContact O-N 3.01Å; S91-E94 PolarHBondContact OG-N 2.75Å; S91-L95 WeakPolarHBondContact O-CB 3.3Å; S91-L95 VanDerWaalsContact O-CG 3.28Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.2Å
92R98.1Very high98Very high122 Ų12275.8 Ų75.846%0.4633%0.334SS..Hα-helixtrans-54.7-46.8173.6175.4-176.4166.8178.6-2.2111.8L31 E94 L95 E96L31-R92 HydrophobicContact CB-CG 4.17Å; L31-R92 HydrophobicContact CD1-CB 4.5Å; L31-R92 HydrophobicContact CD1-CG 4.5Å; R92-E94 VanDerWaalsContact C-N 3.34Å; R92-L95 PolarHBondContact O-N 3.48Å; R92-E96 WeakPolarHBondContact O-CB 3.33Å; R92-E96 PolarHBondContact O-N 3.39Å
93E98.4Very high97.8Very high102 Ų10274.4 Ų74.448%0.47734%0.336SS..Hα-helixtrans-68.8-34.9-177.4-5871.4-155.100111.6S91 R97S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 PolarHBondContact O-N 3.37Å; S91-E93 PolarHBondContact OG-N 2.73Å; S91-E93 PolarHBondContact OG-OE2 2.86Å; E93-R97 VanDerWaalsContact O-CG 3.29Å; E93-R97 WeakPolarHBondContact O-CG 3.29Å; E93-R97 PolarHBondContact O-N 3.04Å
94E98.6Very high97.6Very high100 Ų10074.1 Ų74.147%0.46734%0.342SS..Hα-helixtrans-67.6-42.1173.5-69.4177.5140.300111.4M90 S91 R92 F98M90-E94 WeakPolarHBondContact CA-OE2 3.01Å; M90-E94 HydrophobicContact CB-CB 3.84Å; M90-E94 HydrophobicContact CG-CB 4.15Å; M90-E94 HydrophobicContact SD-CB 4.45Å; S91-E94 PolarHBondContact N-OE2 3.46Å; S91-E94 PolarHBondContact O-N 3.01Å; S91-E94 PolarHBondContact OG-N 2.75Å; R92-E94 VanDerWaalsContact C-N 3.34Å; E94-F98 WeakPolarHBondContact O-CB 3.44Å; E94-F98 PolarHBondContact O-N 2.85Å
95L98.7Very high97.6Very high0 Ų074.8 Ų74.80%035%0.346CS..Hα-helixtrans-63.1-45.2176-75.1164.2000112.2L31 W32 M90 S91 R92 F98 C99 L107L31-L95 HydrophobicContact CD1-CD1 4.06Å; W32-L95 HydrophobicContact CH2-CB 4.29Å; W32-L95 HydrophobicContact CZ3-CB 3.93Å; M90-L95 HydrophobicContact CB-CD2 4Å; M90-L95 HydrophobicContact CB-CG 3.74Å; M90-L95 HydrophobicContact SD-CD2 4.49Å; S91-L95 WeakPolarHBondContact O-CB 3.3Å; S91-L95 VanDerWaalsContact O-CG 3.28Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.2Å; R92-L95 PolarHBondContact O-N 3.48Å; L95-F98 WeakPolarHBondContact O-CB 3.43Å; L95-F98 PolarHBondContact O-N 3.04Å; L95-C99 VanDerWaalsContact O-CB 3.28Å; L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.42Å; L95-C99 PolarHBondContact O-SG 3.35Å; L95-L107 HydrophobicContact CD2-CB 3.86Å
96E98.1Very high97.5Very high65 Ų6573.9 Ų73.930%0.30434%0.338SS..Hα-helixtrans-59.4-53.9178.3-169.7167.1179.700110.2W32 R92 F98 C99 D100W32-E96 HydrophobicContact CD2-CB 3.97Å; W32-E96 HydrophobicContact CD2-CG 3.76Å; W32-E96 HydrophobicContact CE3-CB 3.76Å; W32-E96 HydrophobicContact CE3-CG 4.09Å; W32-E96 HydrophobicContact CG-CG 3.99Å; W32-E96 HydrophobicContact CH2-CB 4.21Å; W32-E96 HydrophobicContact CZ2-CB 4.39Å; W32-E96 HydrophobicContact CZ2-CG 4.4Å; W32-E96 HydrophobicContact CZ3-CB 3.9Å; R92-E96 WeakPolarHBondContact O-CB 3.33Å; R92-E96 PolarHBondContact O-N 3.39Å; E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.46Å; E96-C99 PolarHBondContact O-N 3.31Å; E96-D100 VanDerWaalsContact O-CG 3.22Å; E96-D100 PolarHBondContact O-N 3.38Å
97R98.2Very high97.5Very high176 Ų17668.6 Ų68.666%0.66431%0.31SS*.Hα-helixtrans-59.6-36174.8-68.8175.7-169.4154.24.6113.4E93 C99E93-R97 VanDerWaalsContact O-CG 3.29Å; E93-R97 WeakPolarHBondContact O-CG 3.29Å; E93-R97 PolarHBondContact O-N 3.04Å; R97-C99 VanDerWaalsContact C-N 3.31Å
98F98.2Very high97.5Very high13 Ų1368.6 Ų68.66%0.05731%0.31CS..Hα-helixtrans-63.3-43.5177.2178-77.2000110.5K83 I84 T87 M90 E94 L95 E96 R101 Y102 L107K83-F98 HydrophobicContact CD-CE2 4.4Å; K83-F98 HydrophobicContact CD-CZ 4.36Å; K83-F98 HydrophobicContact CG-CE2 3.8Å; K83-F98 HydrophobicContact CG-CZ 3.85Å; I84-F98 HydrophobicContact CD1-CE1 4.11Å; I84-F98 HydrophobicContact CD1-CZ 4.05Å; T87-F98 HydrophobicContact CG2-CD1 4.05Å; T87-F98 HydrophobicContact CG2-CD2 3.99Å; T87-F98 HydrophobicContact CG2-CE1 3.74Å; T87-F98 HydrophobicContact CG2-CE2 3.72Å; T87-F98 HydrophobicContact CG2-CG 4.2Å; T87-F98 HydrophobicContact CG2-CZ 3.59Å; M90-F98 HydrophobicContact CE-CD2 3.85Å; M90-F98 HydrophobicContact CE-CE2 4.27Å; M90-F98 HydrophobicContact SD-CB 4.28Å; M90-F98 HydrophobicContact SD-CD2 3.94Å; M90-F98 HydrophobicContact SD-CG 4.3Å; E94-F98 WeakPolarHBondContact O-CB 3.44Å; E94-F98 PolarHBondContact O-N 2.85Å; L95-F98 WeakPolarHBondContact O-CB 3.43Å; L95-F98 PolarHBondContact O-N 3.04Å; E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.46Å; F98-R101 PolarHBondContact O-NE 2.88Å; F98-R101 PolarHBondContact O-NH2 3.15Å; F98-Y102 AromaticContact CD1-CE2 3.94Å; F98-Y102 HydrophobicContact CD1-CE2 3.94Å; F98-Y102 HydrophobicContact CE1-CD2 4.37Å; F98-Y102 AromaticContact CE1-CE2 3.48Å; F98-Y102 HydrophobicContact CE1-CE2 3.48Å; F98-Y102 VanDerWaalsContact CE1-CE2 3.48Å; F98-Y102 HydrophobicContact CZ-CE2 4.11Å; F98-L107 HydrophobicContact CD1-CD1 3.9Å; F98-L107 HydrophobicContact CE1-CD1 3.64Å
99C98.1Very high97.5Very high1 Ų167.9 Ų67.91%0.00731%0.312CS..Hα-helixtrans-76.6-32.5-175.1-69.60000113.2W32 L95 E96 R97 R101 Y102 V105 L107W32-C99 HydrophobicContact CH2-CB 4.05Å; W32-C99 HydrophobicContact CZ2-CB 3.9Å; L95-C99 VanDerWaalsContact O-CB 3.28Å; L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.42Å; L95-C99 PolarHBondContact O-SG 3.35Å; E96-C99 PolarHBondContact O-N 3.31Å; R97-C99 VanDerWaalsContact C-N 3.31Å; C99-R101 PolarHBondContact O-N 3.37Å; C99-Y102 PolarHBondContact O-N 3.28Å; C99-V105 WeakPolarHBondContact CB-O 3.45Å; C99-L107 PolarHBondContact SG-N 3.03Å
100D96.2Very high97.5Very high115 Ų11560.7 Ų60.762%0.61529%0.288SS*.THydrogen-bonded Turntrans-55-16.7176.6-72.2-18.3000114.3E96 Y102E96-D100 VanDerWaalsContact O-CG 3.22Å; E96-D100 PolarHBondContact O-N 3.38Å; D100-Y102 VanDerWaalsContact C-N 3.32Å
101R95.6Very high97.6Very high156 Ų15658.5 Ų58.559%0.58928%0.277SS*.THydrogen-bonded Turntrans-82.4-9.1177.5-61.1177.3-63.5-176.22.7113.8F98 C99F98-R101 PolarHBondContact O-NE 2.88Å; F98-R101 PolarHBondContact O-NH2 3.15Å; C99-R101 PolarHBondContact O-N 3.37Å
102Y96.7Very high97.6Very high26 Ų2657.5 Ų57.510%0.10227%0.266CS..SBendtrans-119.1148.5-176.9-57.9-69.1000110.1K83 F98 C99 D100 S104 E152 S153K83-Y102 WeakPolarHBondContact CE-OH 3.26Å; K83-Y102 PolarHBondContact NZ-OH 3.19Å; F98-Y102 AromaticContact CD1-CE2 3.94Å; F98-Y102 HydrophobicContact CD1-CE2 3.94Å; F98-Y102 HydrophobicContact CE1-CD2 4.37Å; F98-Y102 AromaticContact CE1-CE2 3.48Å; F98-Y102 HydrophobicContact CE1-CE2 3.48Å; F98-Y102 VanDerWaalsContact CE1-CE2 3.48Å; F98-Y102 HydrophobicContact CZ-CE2 4.11Å; C99-Y102 PolarHBondContact O-N 3.28Å; D100-Y102 VanDerWaalsContact C-N 3.32Å; Y102-S104 PolarHBondContact O-N 3.03Å; Y102-E152 HydrophobicContact CD1-CG 3.53Å; Y102-E152 HydrophobicContact CE1-CG 3.69Å; Y102-S153 WeakPolarHBondContact CB-O 3.46Å; Y102-S153 WeakPolarHBondContact CD1-O 3.35Å
103D93.9Very high97.6Very high102 Ų10255.8 Ų55.855%0.54526%0.263SS..THydrogen-bonded Turntrans-73.8117176.4-178.414.8000110.7V105 G155D103-V105 PolarHBondContact O-N 3.13Å; D103-G155 PolarHBondContact O-N 3.01Å
104S94.4Very high97.6Very high58 Ų5851.3 Ų51.341%0.40624%0.244SC..THydrogen-bonded Turntrans55.946.6171.2-560000113.2Y102 F156Y102-S104 PolarHBondContact O-N 3.03Å; S104-F156 WeakPolarHBondContact O-CA 3.18Å; S104-F156 WeakPolarHBondContact O-CD1 3.33Å; S104-F156 PolarHBondContact O-N 2.82Å
105V97.7Very high97.6Very high13 Ų1346.7 Ų46.78%0.07922%0.222CC..  trans-119.6141.2175.9176.60000109.4C99 D103 L107C99-V105 WeakPolarHBondContact CB-O 3.45Å; D103-V105 PolarHBondContact O-N 3.13Å; V105-L107 HydrophobicContact CG1-CG 4.45Å
106Y98Very high97.6Very high7 Ų747.3 Ų47.33%0.02723%0.225CC..  trans-131154.616472.3-100.4000109.9H28 R29 C30 H36 E38 R142H28-Y106 AromaticContact CE1-CD2 3.98Å; H28-Y106 AromaticContact CE1-CE2 3.26Å; H28-Y106 WeakPolarHBondContact CE1-CE2 3.49Å; H28-Y106 AromaticContact CE1-CZ 3.72Å; H28-Y106 AromaticContact ND1-CE2 3.63Å; H28-Y106 AromaticContact NE2-CE2 3.77Å; H28-Y106 AromaticContact NE2-CZ 3.74Å; R29-Y106 VanDerWaalsContact CA-CE2 3.49Å; R29-Y106 WeakPolarHBondContact O-CE2 3.22Å; C30-Y106 VanDerWaalsContact CA-CD2 3.46Å; C30-Y106 HydrophobicContact CB-CD1 3.75Å; C30-Y106 HydrophobicContact CB-CD2 3.87Å; C30-Y106 HydrophobicContact CB-CE1 4.1Å; C30-Y106 HydrophobicContact CB-CE2 4.23Å; C30-Y106 HydrophobicContact CB-CG 3.62Å; H36-Y106 AromaticContact CE1-CD1 3.51Å; H36-Y106 AromaticContact CE1-CE1 3.69Å; H36-Y106 AromaticContact ND1-CD1 3.65Å; H36-Y106 AromaticContact ND1-CE1 3.5Å; H36-Y106 AromaticContact NE2-CD1 3.82Å; E38-Y106 HydrophobicContact CB-CE1 4.06Å; E38-Y106 HydrophobicContact CG-CE1 4.33Å; E38-Y106 WeakPolarHBondContact O-CE1 3.41Å; E38-Y106 PolarHBondContact O-OH 2.89Å; E38-Y106 PolarHBondContact OE2-OH 2.83Å; Y106-R142 PolarHBondContact OH-NH2 3.28Å
107L98.3Very high97.6Very high0 Ų046.3 Ų46.30%022%0.222CC..  trans-135149.2174-62.2173.4000110.4I84 T87 L95 F98 C99 V105 S111 I158I84-L107 HydrophobicContact CD1-CD1 4.41Å; T87-L107 HydrophobicContact CG2-CD1 3.81Å; L95-L107 HydrophobicContact CD2-CB 3.86Å; F98-L107 HydrophobicContact CD1-CD1 3.9Å; F98-L107 HydrophobicContact CE1-CD1 3.64Å; C99-L107 PolarHBondContact SG-N 3.03Å; V105-L107 HydrophobicContact CG1-CG 4.45Å; L107-S111 WeakPolarHBondContact CA-OG 3.37Å; L107-I158 HydrophobicContact CD2-CD1 3.39Å; L107-I158 HydrophobicContact CD2-CG1 3.73Å; L107-I158 HydrophobicContact CD2-CG2 4.3Å
108C98.2Very high97.7Very high0 Ų038 Ų380%019%0.191CC..  trans-126.5173.4165.168.80000108.6V27 L31 E110 S111V27-C108 PolarHBondContact O-SG 2.89Å; L31-C108 HydrophobicContact CD1-CB 3.9Å; L31-C108 HydrophobicContact CD2-CB 4.03Å; L31-C108 HydrophobicContact CG-CB 3.87Å; C108-E110 PolarHBondContact O-N 3.3Å; C108-E110 VanDerWaalsContact O-N 3.07Å; C108-E110 PolarHBondContact SG-OE2 3.28Å; C108-S111 PolarHBondContact N-OG 3.36Å; C108-S111 VanDerWaalsContact O-CB 3.27Å; C108-S111 WeakPolarHBondContact O-CB 3.48Å; C108-S111 PolarHBondContact O-N 2.96Å; C108-S111 PolarHBondContact O-OG 2.91Å; C108-S111 PolarHBondContact SG-OG 3.15Å
109C98.3Very high97.7Very high50 Ų5037.3 Ų37.334%0.33819%0.188SC..THydrogen-bonded Turntrans-55.9-29.2-179.2-63.50000113E88E88-C109 WeakPolarHBondContact CA-O 3.31Å; E88-C109 WeakPolarHBondContact CG-O 3.3Å; E88-C109 WeakPolarHBondContact O-CB 3.46Å; E88-C109 PolarHBondContact O-SG 2.82Å
110E98.2Very high97.7Very high78 Ų7837.4 Ų37.436%0.36419%0.189SC..THydrogen-bonded Turntrans-92.5-4.7-179.4-52.886.416700114V27 C108 Y112 Q113 C114V27-E110 HydrophobicContact CB-CB 3.84Å; V27-E110 HydrophobicContact CB-CG 3.91Å; V27-E110 HydrophobicContact CG2-CB 3.54Å; V27-E110 HydrophobicContact CG2-CG 4.08Å; C108-E110 PolarHBondContact O-N 3.3Å; C108-E110 VanDerWaalsContact O-N 3.07Å; C108-E110 PolarHBondContact SG-OE2 3.28Å; E110-Y112 VanDerWaalsContact C-N 3.34Å; E110-Y112 PolarHBondContact O-N 3.35Å; E110-Q113 PolarHBondContact O-N 3.26Å; E110-C114 PolarHBondContact O-N 3.3Å; E110-C114 PolarHBondContact O-SG 3.15Å; E110-C114 VanDerWaalsContact O-SG 3.39Å
111S98.6Very high97.9Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-61.3-41.3-176.8-76.30000112.7H28 L107 C108 C114 A115H28-S111 PolarHBondContact CE1-OG 2.89Å; H28-S111 VanDerWaalsContact CE1-OG 3.31Å; H28-S111 PolarHBondContact ND1-OG 2.87Å; L107-S111 WeakPolarHBondContact CA-OG 3.37Å; C108-S111 PolarHBondContact N-OG 3.36Å; C108-S111 VanDerWaalsContact O-CB 3.27Å; C108-S111 WeakPolarHBondContact O-CB 3.48Å; C108-S111 PolarHBondContact O-N 2.96Å; C108-S111 PolarHBondContact O-OG 2.91Å; C108-S111 PolarHBondContact SG-OG 3.15Å; S111-C114 PolarHBondContact O-N 2.98Å; S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 3.48Å
112Y98.6Very high98Very high23 Ų2325.8 Ų25.89%0.0914%0.139CC..Hα-helixtrans-61.5-51.3-178.9175.6-114000110.9I84 A85 E88 E110 C114 A115 L116 F159I84-Y112 HydrophobicContact CG2-CD2 3.95Å; A85-Y112 HydrophobicContact CB-CD1 4.38Å; A85-Y112 HydrophobicContact CB-CD2 4.23Å; A85-Y112 HydrophobicContact CB-CE1 3.9Å; A85-Y112 HydrophobicContact CB-CE2 3.76Å; A85-Y112 HydrophobicContact CB-CG 4.5Å; E88-Y112 HydrophobicContact CG-CD1 3.89Å; E88-Y112 HydrophobicContact CG-CG 4.08Å; E88-Y112 VanDerWaalsContact OE2-CD1 3.29Å; E88-Y112 WeakPolarHBondContact OE2-CD1 3.44Å; E110-Y112 VanDerWaalsContact C-N 3.34Å; E110-Y112 PolarHBondContact O-N 3.35Å; Y112-C114 VanDerWaalsContact C-N 3.32Å; Y112-C114 PolarHBondContact O-N 3.47Å; Y112-A115 CarbonylContact O-C 3.58Å; Y112-A115 WeakPolarHBondContact O-CA 3.4Å; Y112-A115 WeakPolarHBondContact O-CB 3.47Å; Y112-A115 PolarHBondContact O-N 3.49Å; Y112-L116 HydrophobicContact CD1-CD1 4.21Å; Y112-L116 HydrophobicContact CD1-CG 4.42Å; Y112-L116 HydrophobicContact CD2-CD2 4.39Å; Y112-L116 HydrophobicContact CD2-CG 4.44Å; Y112-L116 HydrophobicContact CE1-CD1 3.67Å; Y112-L116 HydrophobicContact CE1-CD2 4.46Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.44Å; Y112-L116 HydrophobicContact CE2-CD2 3.76Å; Y112-L116 HydrophobicContact CE2-CG 4.14Å; Y112-L116 WeakPolarHBondContact O-CG 3.27Å; Y112-L116 PolarHBondContact O-N 3.31Å; Y112-F159 AromaticContact CD2-CE2 3.89Å; Y112-F159 HydrophobicContact CD2-CE2 3.89Å; Y112-F159 HydrophobicContact CD2-CZ 4.04Å; Y112-F159 AromaticContact CE2-CE2 3.83Å; Y112-F159 HydrophobicContact CE2-CE2 3.83Å; Y112-F159 AromaticContact CE2-CZ 3.8Å; Y112-F159 HydrophobicContact CE2-CZ 3.8Å
113Q98.4Very high98.1Very high86 Ų8624.9 Ų24.940%0.40214%0.137SC..Hα-helixtrans-61.5-38.1176.2-79.4-63.2-7.300113.2E88 E110 A115 L116 N117E88-Q113 WeakPolarHBondContact OE1-CG 3.26Å; E110-Q113 PolarHBondContact O-N 3.26Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 2.54Å; Q113-L116 PolarHBondContact O-N 3.27Å; Q113-N117 PolarHBondContact O-N 3.35Å; Q113-N117 VanDerWaalsContact O-N 3.13Å; Q113-N117 PolarHBondContact O-ND2 3.11Å
114C98.5Very high98.4Very high9 Ų922 Ų226%0.06112%0.12CC..Hα-helixtrans-62.1-39.9172.7-72.10000112Q22 V27 H28 E110 S111 Y112 N117 A118Q22-C114 PolarHBondContact NE2-O 3.41Å; V27-C114 WeakPolarHBondContact CG2-SG 3.34Å; H28-C114 HydrophobicContact CB-CB 3.87Å; E110-C114 PolarHBondContact O-N 3.3Å; E110-C114 PolarHBondContact O-SG 3.15Å; E110-C114 VanDerWaalsContact O-SG 3.39Å; S111-C114 PolarHBondContact O-N 2.98Å; Y112-C114 VanDerWaalsContact C-N 3.32Å; Y112-C114 PolarHBondContact O-N 3.47Å; C114-N117 PolarHBondContact O-N 3.19Å; C114-A118 WeakPolarHBondContact O-CB 3.38Å; C114-A118 PolarHBondContact O-N 3.18Å
115A98.7Very high98.6Very high2 Ų219.7 Ų19.72%0.01710%0.104CC..Hα-helixtrans-68.9-37.1177.600000112.7S111 Y112 Q113 A118 C119 I158 F159S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 3.48Å; Y112-A115 CarbonylContact O-C 3.58Å; Y112-A115 WeakPolarHBondContact O-CA 3.4Å; Y112-A115 WeakPolarHBondContact O-CB 3.47Å; Y112-A115 PolarHBondContact O-N 3.49Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 2.54Å; A115-A118 PolarHBondContact O-N 3.1Å; A115-C119 WeakPolarHBondContact O-CB 3.36Å; A115-C119 PolarHBondContact O-N 3.46Å; A115-I158 HydrophobicContact CB-CB 3.96Å; A115-I158 HydrophobicContact CB-CD1 4.02Å; A115-I158 HydrophobicContact CB-CG2 3.87Å; A115-F159 HydrophobicContact CB-CD2 3.75Å; A115-F159 HydrophobicContact CB-CE2 4.11Å
116L98.8Very high98.6Very high13 Ų1320.9 Ų20.97%0.06811%0.111CC..Hα-helixtrans-60.3-46.8173.5-66.1-169.4000111.2P66 C67 L72 Y112 Q113 G120 F159P66-L116 HydrophobicContact CB-CB 4.22Å; C67-L116 WeakPolarHBondContact CB-O 3.5Å; C67-L116 PolarHBondContact N-O 2.75Å; L72-L116 HydrophobicContact CD1-CD2 3.53Å; Y112-L116 HydrophobicContact CD1-CD1 4.21Å; Y112-L116 HydrophobicContact CD1-CG 4.42Å; Y112-L116 HydrophobicContact CD2-CD2 4.39Å; Y112-L116 HydrophobicContact CD2-CG 4.44Å; Y112-L116 HydrophobicContact CE1-CD1 3.67Å; Y112-L116 HydrophobicContact CE1-CD2 4.46Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.44Å; Y112-L116 HydrophobicContact CE2-CD2 3.76Å; Y112-L116 HydrophobicContact CE2-CG 4.14Å; Y112-L116 WeakPolarHBondContact O-CG 3.27Å; Y112-L116 PolarHBondContact O-N 3.31Å; Q113-L116 PolarHBondContact O-N 3.27Å; L116-G120 PolarHBondContact O-N 2.97Å; L116-F159 HydrophobicContact CD2-CE2 4.07Å
117N98.8Very high98.6Very high45 Ų4524 Ų2424%0.24113%0.125CC..Hα-helixtrans-64.7-41.9176.8-75.6-64.1000112.1Q22 I64 P66 Q113 C114 A121Q22-N117 HydrophobicContact CG-CB 4.43Å; I64-N117 HydrophobicContact CG2-CB 4.25Å; I64-N117 WeakPolarHBondContact CG2-O 3.37Å; P66-N117 WeakPolarHBondContact CG-OD1 3.36Å; Q113-N117 PolarHBondContact O-N 3.35Å; Q113-N117 VanDerWaalsContact O-N 3.13Å; Q113-N117 PolarHBondContact O-ND2 3.11Å; C114-N117 PolarHBondContact O-N 3.19Å; N117-A121 VanDerWaalsContact O-CB 3.26Å; N117-A121 WeakPolarHBondContact O-CB 3.49Å; N117-A121 PolarHBondContact O-N 3.05Å
118A98.8Very high98.6Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-63.1-47178.100000112.2C114 A115 V122 V141 A143C114-A118 WeakPolarHBondContact O-CB 3.38Å; C114-A118 PolarHBondContact O-N 3.18Å; A115-A118 PolarHBondContact O-N 3.1Å; A118-V122 WeakPolarHBondContact O-CG2 3.28Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-V141 HydrophobicContact CB-CB 3.86Å; A118-V141 HydrophobicContact CB-CG2 4.22Å; A118-A143 WeakPolarHBondContact CB-O 3.28Å
119C98.9Very high98.5Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-65-46.4177.5-177.70000111.2C67 L72 A115 A121 V122 V123 N161 V164C67-C119 HydrophobicContact CB-CB 3.96Å; C67-C119 VanDerWaalsContact SG-SG 3.6Å; L72-C119 HydrophobicContact CD2-CB 4.27Å; A115-C119 WeakPolarHBondContact O-CB 3.36Å; A115-C119 PolarHBondContact O-N 3.46Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.4Å; C119-V122 PolarHBondContact O-N 2.98Å; C119-V122 VanDerWaalsContact O-N 3.1Å; C119-V123 WeakPolarHBondContact O-CG2 3.34Å; C119-V123 PolarHBondContact O-N 3.31Å; C119-N161 WeakPolarHBondContact CA-OD1 3.19Å; C119-N161 WeakPolarHBondContact CB-OD1 3.44Å; C119-V164 VanDerWaalsContact SG-CG1 3.56Å
120G98.8Very high98.5Very high3 Ų329.4 Ų29.43%0.03115%0.153CC..Hα-helixtrans-64.5-35.8-179.200000113.1M65 L116 V122 V123 E124M65-G120 CarbonylContact O-C 3.6Å; M65-G120 WeakPolarHBondContact O-CA 3.46Å; L116-G120 PolarHBondContact O-N 2.97Å; G120-V122 VanDerWaalsContact C-N 3.31Å; G120-V122 PolarHBondContact O-N 3.07Å; G120-V123 PolarHBondContact O-N 3.4Å; G120-E124 PolarHBondContact O-N 2.85Å
121A98.9Very high98.3Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-60.9-38.1172.300000112.9L20 I64 N117 C119 A125 V141L20-A121 HydrophobicContact CB-CB 4.38Å; L20-A121 HydrophobicContact CD2-CB 4.24Å; I64-A121 HydrophobicContact CB-CB 4.36Å; I64-A121 HydrophobicContact CD1-CB 3.91Å; I64-A121 HydrophobicContact CG1-CB 3.73Å; I64-A121 HydrophobicContact CG2-CB 3.87Å; N117-A121 VanDerWaalsContact O-CB 3.26Å; N117-A121 WeakPolarHBondContact O-CB 3.49Å; N117-A121 PolarHBondContact O-N 3.05Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.4Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.01Å; A121-V141 HydrophobicContact CB-CG1 3.54Å
122V98.9Very high98.1Very high26 Ų2632.2 Ų32.216%0.15818%0.184CC..Hα-helixtrans-72.7-37.8176.6-177.80000110.8A118 C119 G120 A125 T126 A139 V141 N161 A165A118-V122 WeakPolarHBondContact O-CG2 3.28Å; A118-V122 PolarHBondContact O-N 2.84Å; C119-V122 PolarHBondContact O-N 2.98Å; C119-V122 VanDerWaalsContact O-N 3.1Å; G120-V122 VanDerWaalsContact C-N 3.31Å; G120-V122 PolarHBondContact O-N 3.07Å; V122-A125 WeakPolarHBondContact O-CB 3.32Å; V122-A125 PolarHBondContact O-N 3.27Å; V122-T126 PolarHBondContact O-N 3.04Å; V122-T126 PolarHBondContact O-OG1 3.38Å; V122-A139 HydrophobicContact CG2-CB 3.99Å; V122-V141 HydrophobicContact CG2-CG2 4.19Å; V122-N161 HydrophobicContact CB-CB 4.06Å; V122-N161 HydrophobicContact CG1-CB 4.39Å; V122-N161 HydrophobicContact CG2-CB 3.8Å; V122-A165 HydrophobicContact CG1-CB 3.76Å
123V98.9Very high97.9Very high7 Ų735.8 Ų35.84%0.04220%0.199CC..Hα-helixtrans-61.3-47.6172.6173.40000111.2V71 C119 G120 A125 T126 K127 V164 A165 Y168V71-V123 HydrophobicContact CG1-CG1 4.45Å; V71-V123 HydrophobicContact CG1-CG2 4.09Å; C119-V123 WeakPolarHBondContact O-CG2 3.34Å; C119-V123 PolarHBondContact O-N 3.31Å; G120-V123 PolarHBondContact O-N 3.4Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.01Å; V123-T126 PolarHBondContact O-N 2.79Å; V123-K127 WeakPolarHBondContact O-CB 3.45Å; V123-K127 PolarHBondContact O-N 3.28Å; V123-V164 HydrophobicContact CG2-CG1 3.99Å; V123-A165 HydrophobicContact CG2-CB 4.19Å; V123-Y168 HydrophobicContact CG1-CD1 4Å; V123-Y168 HydrophobicContact CG1-CD2 4.11Å; V123-Y168 HydrophobicContact CG1-CE1 4.25Å; V123-Y168 HydrophobicContact CG1-CE2 4.36Å; V123-Y168 HydrophobicContact CG1-CG 3.94Å
124E98.7Very high97.7Very high43 Ų4331.8 Ų31.820%0.20118%0.181CC..Hα-helixtrans-67.1-33.4178-72.9-60.3133.100112.1L20 M65 G120 K127 A128L20-E124 HydrophobicContact CD2-CB 4.19Å; M65-E124 HydrophobicContact CB-CG 4.25Å; M65-E124 HydrophobicContact CG-CG 4.46Å; G120-E124 PolarHBondContact O-N 2.85Å; E124-K127 IonicContact OE1-NZ 3.28Å; E124-K127 PolarHBondContact OE1-NZ 2.98Å; E124-K127 IonicContact OE2-NZ 3.7Å; E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.37Å; E124-A128 PolarHBondContact O-N 2.62Å
125A98.7Very high97.4Very high9 Ų934.7 Ų34.77%0.07421%0.206CC..Hα-helixtrans-60.1-49.6170.200000111.4L20 A121 V122 V123 A128 V129 C137 A139L20-A125 HydrophobicContact CD1-CB 3.79Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.01Å; V122-A125 WeakPolarHBondContact O-CB 3.32Å; V122-A125 PolarHBondContact O-N 3.27Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.01Å; A125-A128 PolarHBondContact O-N 2.85Å; A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 3.32Å; A125-C137 HydrophobicContact CB-CB 4Å; A125-A139 HydrophobicContact CB-CB 4.37Å
126T98.7Very high97.3Very high37 Ų3735.9 Ų35.923%0.22722%0.218CC..Hα-helixtrans-60.8-50177.8-65.70000111V122 V123 A128 V129 I130 A169V122-T126 PolarHBondContact O-N 3.04Å; V122-T126 PolarHBondContact O-OG1 3.38Å; V123-T126 PolarHBondContact O-N 2.79Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 2.98Å; T126-V129 PolarHBondContact O-N 3.48Å; T126-V129 VanDerWaalsContact O-N 3.09Å; T126-I130 HydrophobicContact CG2-CG2 4.31Å; T126-I130 WeakPolarHBondContact O-CG1 3.48Å; T126-I130 PolarHBondContact O-N 3.08Å; T126-A169 HydrophobicContact CG2-CB 3.75Å
127K98Very high97.2Very high74 Ų7437.2 Ų37.232%0.32223%0.228SC..Hα-helixtrans-55.1-44.3176.9-176.2179.7173.8-171.70111.9V123 E124 V129 T131 Y168V123-K127 WeakPolarHBondContact O-CB 3.45Å; V123-K127 PolarHBondContact O-N 3.28Å; E124-K127 IonicContact OE1-NZ 3.28Å; E124-K127 PolarHBondContact OE1-NZ 2.98Å; E124-K127 IonicContact OE2-NZ 3.7Å; K127-V129 VanDerWaalsContact C-N 3.32Å; K127-V129 PolarHBondContact O-N 3.04Å; K127-T131 HydrophobicContact CG-CG2 4.4Å; K127-T131 WeakPolarHBondContact O-CB 3.4Å; K127-T131 VanDerWaalsContact O-CG2 3.26Å; K127-T131 WeakPolarHBondContact O-CG2 3.5Å; K127-T131 PolarHBondContact O-N 2.93Å; K127-T131 PolarHBondContact O-OG1 3.04Å; K127-Y168 HydrophobicContact CB-CE1 4.22Å; K127-Y168 HydrophobicContact CG-CE1 4.44Å
128A97.5Very high97.2Very high5 Ų537.9 Ų37.94%0.04123%0.234CC..Hα-helixtrans-63.7-36.5178.800000112.8L62 E124 A125 T126 G132 K133 C134L62-A128 HydrophobicContact CD1-CB 3.46Å; L62-A128 VanDerWaalsContact CD1-CB 3.46Å; E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.37Å; E124-A128 PolarHBondContact O-N 2.62Å; A125-A128 PolarHBondContact O-N 2.85Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 2.98Å; A128-G132 PolarHBondContact O-N 2.94Å; A128-K133 HydrophobicContact CB-CB 4.16Å; A128-K133 HydrophobicContact CB-CD 4.31Å; A128-K133 WeakPolarHBondContact O-CA 3.36Å; A128-K133 WeakPolarHBondContact O-CB 3.47Å; A128-K133 PolarHBondContact O-N 3.2Å; A128-C134 PolarHBondContact O-N 3.27Å
129V97.3Very high97.2Very high58 Ų5839.3 Ų39.335%0.35225%0.245SC..Hα-helixtrans-72-51.6177.11750000111.2A125 T126 K127 T131 G132 C137A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 3.32Å; T126-V129 PolarHBondContact O-N 3.48Å; T126-V129 VanDerWaalsContact O-N 3.09Å; K127-V129 VanDerWaalsContact C-N 3.32Å; K127-V129 PolarHBondContact O-N 3.04Å; V129-T131 PolarHBondContact O-N 3.18Å; V129-G132 PolarHBondContact O-N 3.47Å; V129-C137 HydrophobicContact CG2-CB 3.77Å
130I97Very high97.2Very high100 Ų10040.7 Ų40.751%0.51325%0.252SS..Hα-helixtrans-67.6-24.9-175.469.1-179000112.9T126 A169T126-I130 HydrophobicContact CG2-CG2 4.31Å; T126-I130 WeakPolarHBondContact O-CG1 3.48Å; T126-I130 PolarHBondContact O-N 3.08Å; I130-A169 HydrophobicContact CD1-CB 4.23Å
131T95.6Very high97.2Very high95 Ų9541.8 Ų41.858%0.58326%0.259SS*.THydrogen-bonded Turntrans-89.31.1174.760.30000113.5K127 V129 K133K127-T131 HydrophobicContact CG-CG2 4.4Å; K127-T131 WeakPolarHBondContact O-CB 3.4Å; K127-T131 VanDerWaalsContact O-CG2 3.26Å; K127-T131 WeakPolarHBondContact O-CG2 3.5Å; K127-T131 PolarHBondContact O-N 2.93Å; K127-T131 PolarHBondContact O-OG1 3.04Å; V129-T131 PolarHBondContact O-N 3.18Å; T131-K133 VanDerWaalsContact C-N 3.3Å; T131-K133 PolarHBondContact O-N 3.07Å
132G94.4Very high97.1Very high42 Ų4242.1 Ų42.143%0.43326%0.26SS..THydrogen-bonded Turntrans72.816.4179.100000114.8N14 A128 V129 C134N14-G132 WeakPolarHBondContact CB-O 3.42Å; A128-G132 PolarHBondContact O-N 2.94Å; V129-G132 PolarHBondContact O-N 3.47Å; G132-C134 PolarHBondContact O-N 3.28Å
133K94Very high97.1Very high97 Ų9741 Ų4142%0.42225%0.253SS..SBendtrans-70.3-21.9175.6-173.2177.8179.7-1780112.6N14 K60 L62 A128 T131N14-K133 PolarHBondContact OD1-O 3.38Å; K60-K133 PolarHBondContact NZ-O 3.23Å; L62-K133 HydrophobicContact CD2-CD 4.17Å; A128-K133 HydrophobicContact CB-CB 4.16Å; A128-K133 HydrophobicContact CB-CD 4.31Å; A128-K133 WeakPolarHBondContact O-CA 3.36Å; A128-K133 WeakPolarHBondContact O-CB 3.47Å; A128-K133 PolarHBondContact O-N 3.2Å; T131-K133 VanDerWaalsContact C-N 3.3Å; T131-K133 PolarHBondContact O-N 3.07Å
134C94.2Very high97Very high3 Ų341.9 Ų41.92%0.0226%0.259CS..SBendtrans-152.5150.7172.156.10000111N14 L16 A128 G132 G136N14-C134 CarbonylContact O-C 3.54Å; N14-C134 VanDerWaalsContact O-CA 3.22Å; N14-C134 WeakPolarHBondContact O-CA 3.36Å; L16-C134 WeakPolarHBondContact O-CB 3.42Å; A128-C134 PolarHBondContact O-N 3.27Å; G132-C134 PolarHBondContact O-N 3.28Å; C134-G136 PolarHBondContact O-N 3.35Å; C134-G136 PolarHBondContact SG-O 3.44Å
135A91.2Very high97Very high70 Ų7040 Ų4058%0.57925%0.252SS*.SBendtrans-69.1-17.6178.600000114.5N14N14-A135 PolarHBondContact O-N 3.31Å; N14-A135 VanDerWaalsContact O-N 3.08Å
136G96.4Very high97Very high26 Ų2645.4 Ų45.427%0.26828%0.275SS..  trans-175.5162.8178.700000108.7P17 G18 C134P17-G136 CarbonylContact C-O 3.38Å; P17-G136 VanDerWaalsContact CA-O 3.32Å; P17-G136 WeakPolarHBondContact CA-O 3.34Å; G18-G136 PolarHBondContact N-O 3.27Å; C134-G136 PolarHBondContact O-N 3.35Å; C134-G136 PolarHBondContact SG-O 3.44Å
137C98.3Very high96.9Very high41 Ų4148.1 Ų48.128%0.27729%0.285SS..EExtended strand (participates in β ladder)trans-146146.8-177.2-165.30000112.3G18 L20 A125 V129G18-C137 VanDerWaalsContact C-SG 3.51Å; G18-C137 VanDerWaalsContact O-CA 3.3Å; G18-C137 WeakPolarHBondContact O-CA 3.39Å; G18-C137 PolarHBondContact O-SG 2.66Å; L20-C137 VanDerWaalsContact CD1-SG 3.53Å; A125-C137 HydrophobicContact CB-CB 4Å; V129-C137 HydrophobicContact CG2-CB 3.77Å
138V98.2Very high97Very high60 Ų6044.7 Ų44.736%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-119.9132.1170.567.50000110.4G18 Y19 L20 M59 L140G18-V138 PolarHBondContact O-N 3.31Å; G18-V138 VanDerWaalsContact O-N 3.1Å; Y19-V138 CarbonylContact C-O 3.45Å; Y19-V138 WeakPolarHBondContact CA-O 3.28Å; L20-V138 PolarHBondContact N-O 3.41Å; M59-V138 HydrophobicContact CE-CG1 3.81Å; V138-L140 HydrophobicContact CG2-CD2 4.45Å
139A98.7Very high97Very high30 Ų3049.2 Ų49.225%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-110.3115.2173.500000109.5V122 A125 V141V122-A139 HydrophobicContact CG2-CB 3.99Å; A125-A139 HydrophobicContact CB-CB 4.37Å; A139-V141 HydrophobicContact CB-CG1 4.03Å
140L98.6Very high97Very high28 Ų2852.5 Ų52.515%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-95.197.3175.6-62.7169.7000108L20 Q22 L43 T46 I47 F56 V138L20-L140 PolarHBondContact O-N 2.84Å; Q22-L140 PolarHBondContact N-O 3.33Å; L43-L140 VanDerWaalsContact CD1-C 3.41Å; L43-L140 HydrophobicContact CD1-CB 3.7Å; L43-L140 WeakPolarHBondContact CD1-O 3.42Å; T46-L140 HydrophobicContact CG2-CD2 3.98Å; I47-L140 HydrophobicContact CG1-CB 4.42Å; I47-L140 HydrophobicContact CG1-CD1 4.2Å; F56-L140 HydrophobicContact CE1-CD1 3.66Å; F56-L140 HydrophobicContact CZ-CD1 3.41Å; F56-L140 VanDerWaalsContact CZ-CD1 3.41Å; V138-L140 HydrophobicContact CG2-CD2 4.45Å
141V98.7Very high97.1Very high27 Ų2751.7 Ų51.716%0.16430%0.298CS..  trans-134.1156.6-166.6-61.30000113.1Q22 A118 A121 V122 A139Q22-V141 HydrophobicContact CB-CB 4.46Å; Q22-V141 HydrophobicContact CB-CG1 4.25Å; A118-V141 HydrophobicContact CB-CB 3.86Å; A118-V141 HydrophobicContact CB-CG2 4.22Å; A121-V141 HydrophobicContact CB-CG1 3.54Å; V122-V141 HydrophobicContact CG2-CG2 4.19Å; A139-V141 HydrophobicContact CB-CG1 4.03Å
142R98Very high97.2Very high7 Ų750.4 Ų50.43%0.02629%0.285CS..SBendtrans-145.9137.5168.1-80.8-179.564.2-101.21.4110.5Q22 T25 H28 E38 C39 L43 Y106Q22-R142 VanDerWaalsContact CD-O 3.27Å; Q22-R142 PolarHBondContact NE2-O 3.32Å; Q22-R142 PolarHBondContact OE1-O 2.95Å; T25-R142 HydrophobicContact CG2-CB 4.33Å; T25-R142 PolarHBondContact O-NH1 3.33Å; T25-R142 PolarHBondContact OG1-NH1 3.15Å; H28-R142 PolarHBondContact CD2-NH2 2.84Å; H28-R142 PolarHBondContact O-NH2 3.35Å; E38-R142 IonicContact OE1-CZ 3.55Å; E38-R142 IonicContact OE1-NE 2.75Å; E38-R142 PolarHBondContact OE1-NE 3.47Å; E38-R142 IonicContact OE1-NH2 3.51Å; E38-R142 IonicContact OE2-CZ 3.53Å; E38-R142 IonicContact OE2-NE 3.54Å; E38-R142 IonicContact OE2-NH2 2.73Å; E38-R142 PolarHBondContact OE2-NH2 3.3Å; C39-R142 PolarHBondContact O-NE 2.75Å; L43-R142 VanDerWaalsContact CB-CD 3.41Å; L43-R142 HydrophobicContact CB-CG 3.83Å; L43-R142 HydrophobicContact CD2-CB 4.18Å; L43-R142 HydrophobicContact CD2-CG 4.21Å; Y106-R142 PolarHBondContact OH-NH2 3.28Å
143A97.8Very high97.4Very high1 Ų148.4 Ų48.41%0.00827%0.265CS..SBendcis-68.11574.400000113.6A118 I158 N161A118-A143 WeakPolarHBondContact CB-O 3.28Å; A143-I158 HydrophobicContact CB-CB 4.47Å; A143-I158 HydrophobicContact CB-CD1 3.67Å; A143-I158 HydrophobicContact CB-CG1 3.89Å; A143-N161 PolarHBondContact O-ND2 3.37Å
144P98.1Very high97.6Very high27 Ų2745.1 Ų45.118%0.17525%0.251CS..  trans-64.617417031.2-36.2000110.8F156 C157P144-F156 HydrophobicContact CG-CB 3.66Å; P144-C157 VanDerWaalsContact C-SG 3.56Å; P144-C157 VanDerWaalsContact O-CA 3.3Å; P144-C157 WeakPolarHBondContact O-CA 3.38Å
145G98Very high97.6Very high4 Ų445.5 Ų45.54%0.04126%0.256CS..  trans-134.5-33.7-176.600000118.5H147 A148 C157 F159 N160G145-H147 PolarHBondContact O-N 2.8Å; G145-A148 WeakPolarHBondContact O-CB 3.38Å; G145-A148 PolarHBondContact O-N 3.26Å; G145-C157 VanDerWaalsContact CA-SG 3.59Å; G145-C157 PolarHBondContact N-SG 2.9Å; G145-C157 VanDerWaalsContact N-SG 3.38Å; G145-C157 WeakPolarHBondContact O-CB 3.26Å; G145-F159 WeakPolarHBondContact CA-O 3.36Å; G145-N160 VanDerWaalsContact O-CA 3.26Å; G145-N160 WeakPolarHBondContact O-CA 3.31Å
146H97.6Very high98Very high121 Ų12144.3 Ų44.356%0.5624%0.238SC*.THydrogen-bonded Turntrans-64.9-16.4-161.467.1-87000116.6V162H146-V162 HydrophobicContact CB-CG2 4.22Å
147H98.2Very high98.1Very high95 Ų9543.1 Ų43.144%0.4423%0.226SC..THydrogen-bonded Turntrans-87.4-17.3175.1-60149.3000114.1G145 M149 N154 G155 C157G145-H147 PolarHBondContact O-N 2.8Å; H147-M149 PolarHBondContact O-N 2.83Å; H147-N154 WeakPolarHBondContact CB-O 3.33Å; H147-G155 PolarHBondContact ND1-O 3.19Å; H147-G155 VanDerWaalsContact ND1-O 3.1Å; H147-C157 HydrophobicContact CB-CB 4.12Å; H147-C157 PolarHBondContact N-SG 3.12Å; H147-C157 VanDerWaalsContact N-SG 3.4Å
148A98.6Very high98.1Very high1 Ų141.2 Ų41.21%0.00821%0.213CC..  trans-65.6130.3-178.900000110.3G145 E152 C157 N160G145-A148 WeakPolarHBondContact O-CB 3.38Å; G145-A148 PolarHBondContact O-N 3.26Å; A148-E152 CarbonylContact C-O 3.56Å; A148-C157 HydrophobicContact CB-CB 3.8Å; A148-N160 HydrophobicContact CB-CB 4.04Å; A148-N160 WeakPolarHBondContact O-CB 3.03Å; A148-N160 PolarHBondContact O-ND2 3.08Å
149M98.1Very high98.1Very high100 Ų10038.4 Ų38.449%0.49320%0.195SC..BIsolated β-bridgetrans-88.2173.9177.1-49.4-169.2-172.600110.3H76 H147 N151 E152H76-M149 PolarHBondContact CE1-O 3.39Å; H76-M149 PolarHBondContact ND1-O 2.83Å; H147-M149 PolarHBondContact O-N 2.83Å; M149-N151 PolarHBondContact O-N 3.14Å; M149-N151 VanDerWaalsContact O-N 3.08Å; M149-E152 HydrophobicContact CB-CB 4.1Å; M149-E152 HydrophobicContact CG-CB 4.49Å; M149-E152 PolarHBondContact N-O 3.36Å; M149-E152 PolarHBondContact O-N 2.82Å
150K98.2Very high98.1Very high127 Ų12737.9 Ų37.955%0.55219%0.188SC*.THydrogen-bonded Turntrans-50.8-38.3-179.4178.7160.2-172.1175.40113.7F75 H76 S77F75-K150 WeakPolarHBondContact O-CG 3.32Å; H76-K150 VanDerWaalsContact CA-O 3.31Å; H76-K150 WeakPolarHBondContact CA-O 3Å; H76-K150 PolarHBondContact ND1-O 3.13Å; S77-K150 PolarHBondContact N-O 3.18Å
151N97.9Very high98.1Very high84 Ų8436.8 Ų36.845%0.44918%0.183SC..THydrogen-bonded Turntrans-126.414.6-175.1-61.2-36.7000114S77 F80 M149S77-N151 WeakPolarHBondContact CB-OD1 3.37Å; S77-N151 PolarHBondContact OG-OD1 3.35Å; F80-N151 WeakPolarHBondContact CD2-O 3.28Å; F80-N151 WeakPolarHBondContact CE2-O 3.43Å; M149-N151 PolarHBondContact O-N 3.14Å; M149-N151 VanDerWaalsContact O-N 3.08Å
152E97.8Very high98.1Very high68 Ų6839.7 Ų39.732%0.31820%0.2SC..BIsolated β-bridgetrans-147.4132-168.3-164.1-172123.100111.3F80 Y102 A148 M149 N154F80-E152 VanDerWaalsContact CZ-C 3.5Å; Y102-E152 HydrophobicContact CD1-CG 3.53Å; Y102-E152 HydrophobicContact CE1-CG 3.69Å; A148-E152 CarbonylContact C-O 3.56Å; M149-E152 HydrophobicContact CB-CB 4.1Å; M149-E152 HydrophobicContact CG-CB 4.49Å; M149-E152 PolarHBondContact N-O 3.36Å; M149-E152 PolarHBondContact O-N 2.82Å; E152-N154 PolarHBondContact OE1-ND2 3.4Å
153S98.4Very high98.2Very high0 Ų039.9 Ų39.90%021%0.205CC..  trans-80.4142.8165.9-63.30000108.7F80 Y102 C157 I158F80-S153 WeakPolarHBondContact CZ-OG 3.36Å; Y102-S153 WeakPolarHBondContact CB-O 3.46Å; Y102-S153 WeakPolarHBondContact CD1-O 3.35Å; S153-C157 CarbonylContact C-O 3.57Å; S153-C157 VanDerWaalsContact CA-O 3.28Å; S153-C157 WeakPolarHBondContact CA-O 3.09Å; S153-C157 VanDerWaalsContact CB-O 3.28Å; S153-C157 WeakPolarHBondContact CB-O 3.3Å; S153-I158 PolarHBondContact OG-O 2.62Å
154N98.1Very high98.2Very high27 Ų2739.9 Ų39.914%0.14420%0.204CC..BIsolated β-bridgetrans-158.8147.4-175.8-159.9-52.1000110.7H147 E152 F156 C157H147-N154 WeakPolarHBondContact CB-O 3.33Å; E152-N154 PolarHBondContact OE1-ND2 3.4Å; N154-F156 PolarHBondContact O-N 3.42Å; N154-C157 PolarHBondContact N-O 3.35Å; N154-C157 WeakPolarHBondContact O-CA 3.47Å; N154-C157 WeakPolarHBondContact O-CB 3.49Å; N154-C157 PolarHBondContact O-N 3.08Å
155G95.9Very high98.3Very high11 Ų1138.7 Ų38.711%0.11320%0.197CC..THydrogen-bonded Turntrans51.954.5170.300000112.4D103 H147 C157D103-G155 PolarHBondContact O-N 3.01Å; H147-G155 PolarHBondContact ND1-O 3.19Å; H147-G155 VanDerWaalsContact ND1-O 3.1Å; G155-C157 PolarHBondContact O-N 2.89Å; G155-C157 VanDerWaalsContact O-N 3.11Å; G155-C157 PolarHBondContact O-SG 3.42Å; G155-C157 VanDerWaalsContact O-SG 3.35Å
156F98Very high98.3Very high46 Ų4641.6 Ų41.620%0.20222%0.221CC..THydrogen-bonded Turntrans67.9-9.3-174.1-45.6-45.4000116.4H36 E37 E38 S104 P144 N154H36-F156 AromaticContact CE1-CD1 3.62Å; H36-F156 AromaticContact CE1-CE1 3.33Å; H36-F156 WeakPolarHBondContact CE1-CE1 3.34Å; H36-F156 AromaticContact NE2-CE1 3.88Å; E37-F156 HydrophobicContact CB-CZ 4.42Å; E38-F156 HydrophobicContact CB-CB 4.13Å; E38-F156 HydrophobicContact CB-CD1 3.52Å; E38-F156 HydrophobicContact CB-CD2 4.02Å; E38-F156 HydrophobicContact CB-CE1 3.92Å; E38-F156 HydrophobicContact CB-CE2 4.34Å; E38-F156 HydrophobicContact CB-CG 3.6Å; E38-F156 HydrophobicContact CB-CZ 4.3Å; E38-F156 HydrophobicContact CG-CB 3.6Å; E38-F156 HydrophobicContact CG-CD1 4Å; E38-F156 HydrophobicContact CG-CD2 4.16Å; E38-F156 HydrophobicContact CG-CG 3.64Å; S104-F156 WeakPolarHBondContact O-CA 3.18Å; S104-F156 WeakPolarHBondContact O-CD1 3.33Å; S104-F156 PolarHBondContact O-N 2.82Å; P144-F156 HydrophobicContact CG-CB 3.66Å; N154-F156 PolarHBondContact O-N 3.42Å
157C98.7Very high98.3Very high1 Ų138.4 Ų38.41%0.00721%0.212CC..BIsolated β-bridgetrans-89.8122-172-58.80000111.1P144 G145 H147 A148 S153 N154 G155P144-C157 VanDerWaalsContact C-SG 3.56Å; P144-C157 VanDerWaalsContact O-CA 3.3Å; P144-C157 WeakPolarHBondContact O-CA 3.38Å; G145-C157 VanDerWaalsContact CA-SG 3.59Å; G145-C157 PolarHBondContact N-SG 2.9Å; G145-C157 VanDerWaalsContact N-SG 3.38Å; G145-C157 WeakPolarHBondContact O-CB 3.26Å; H147-C157 HydrophobicContact CB-CB 4.12Å; H147-C157 PolarHBondContact N-SG 3.12Å; H147-C157 VanDerWaalsContact N-SG 3.4Å; A148-C157 HydrophobicContact CB-CB 3.8Å; S153-C157 CarbonylContact C-O 3.57Å; S153-C157 VanDerWaalsContact CA-O 3.28Å; S153-C157 WeakPolarHBondContact CA-O 3.09Å; S153-C157 VanDerWaalsContact CB-O 3.28Å; S153-C157 WeakPolarHBondContact CB-O 3.3Å; N154-C157 PolarHBondContact N-O 3.35Å; N154-C157 WeakPolarHBondContact O-CA 3.47Å; N154-C157 WeakPolarHBondContact O-CB 3.49Å; N154-C157 PolarHBondContact O-N 3.08Å; G155-C157 PolarHBondContact O-N 2.89Å; G155-C157 VanDerWaalsContact O-N 3.11Å; G155-C157 PolarHBondContact O-SG 3.42Å; G155-C157 VanDerWaalsContact O-SG 3.35Å
158I98.7Very high98.3Very high1 Ų138 Ų381%0.00521%0.207CC..SBendtrans-84.8-58.8-179.3-59.2174.3000110.2I84 L107 A115 A143 S153I84-I158 HydrophobicContact CG2-CG2 3.63Å; L107-I158 HydrophobicContact CD2-CD1 3.39Å; L107-I158 HydrophobicContact CD2-CG1 3.73Å; L107-I158 HydrophobicContact CD2-CG2 4.3Å; A115-I158 HydrophobicContact CB-CB 3.96Å; A115-I158 HydrophobicContact CB-CD1 4.02Å; A115-I158 HydrophobicContact CB-CG2 3.87Å; A143-I158 HydrophobicContact CB-CB 4.47Å; A143-I158 HydrophobicContact CB-CD1 3.67Å; A143-I158 HydrophobicContact CB-CG1 3.89Å; S153-I158 PolarHBondContact OG-O 2.62Å
159F98.9Very high98.1Very high1 Ų142.5 Ų42.50%0.00424%0.244CC..SBendtrans-116.3150.5171.6-65.9-53.6000109.9L72 H76 F80 V81 I84 Y112 A115 L116 G145 N161L72-F159 HydrophobicContact CD1-CD2 4.26Å; L72-F159 HydrophobicContact CD1-CE1 4.43Å; L72-F159 HydrophobicContact CD1-CE2 3.9Å; L72-F159 HydrophobicContact CD1-CZ 4.01Å; L72-F159 HydrophobicContact CD2-CB 4.13Å; L72-F159 HydrophobicContact CD2-CD1 4.23Å; L72-F159 HydrophobicContact CD2-CD2 3.89Å; L72-F159 HydrophobicContact CD2-CE2 4.37Å; L72-F159 HydrophobicContact CD2-CG 3.83Å; H76-F159 AromaticContact CD2-CD1 3.8Å; H76-F159 WeakPolarHBondContact NE2-CA 3.5Å; H76-F159 AromaticContact NE2-CD1 3.86Å; F80-F159 HydrophobicContact CD1-CD1 4.41Å; F80-F159 HydrophobicContact CD1-CE1 4.24Å; F80-F159 AromaticContact CE1-CD1 3.89Å; F80-F159 HydrophobicContact CE1-CD1 3.89Å; F80-F159 AromaticContact CE1-CE1 3.98Å; F80-F159 HydrophobicContact CE1-CE1 3.98Å; V81-F159 HydrophobicContact CG1-CZ 4.39Å; V81-F159 HydrophobicContact CG2-CE1 4.2Å; I84-F159 HydrophobicContact CB-CE1 4.19Å; I84-F159 HydrophobicContact CB-CZ 3.92Å; I84-F159 HydrophobicContact CG1-CE1 4.14Å; I84-F159 HydrophobicContact CG1-CZ 4.37Å; I84-F159 HydrophobicContact CG2-CE1 4.41Å; I84-F159 HydrophobicContact CG2-CE2 4.37Å; I84-F159 HydrophobicContact CG2-CZ 3.85Å; Y112-F159 AromaticContact CD2-CE2 3.89Å; Y112-F159 HydrophobicContact CD2-CE2 3.89Å; Y112-F159 HydrophobicContact CD2-CZ 4.04Å; Y112-F159 AromaticContact CE2-CE2 3.83Å; Y112-F159 HydrophobicContact CE2-CE2 3.83Å; Y112-F159 AromaticContact CE2-CZ 3.8Å; Y112-F159 HydrophobicContact CE2-CZ 3.8Å; A115-F159 HydrophobicContact CB-CD2 3.75Å; A115-F159 HydrophobicContact CB-CE2 4.11Å; L116-F159 HydrophobicContact CD2-CE2 4.07Å; G145-F159 WeakPolarHBondContact CA-O 3.36Å; F159-N161 PolarHBondContact O-N 3.24Å; F159-N161 PolarHBondContact O-OD1 2.84Å
160N98.8Very high98.1Very high18 Ų1839.7 Ų39.710%0.09623%0.232CC..  trans-81.485177.9-161.4-34000111F75 H76 G145 A148 V162 G163 V164F75-N160 HydrophobicContact CD1-CB 3.93Å; F75-N160 HydrophobicContact CE1-CB 3.56Å; F75-N160 HydrophobicContact CZ-CB 4.1Å; H76-N160 PolarHBondContact NE2-N 3.28Å; G145-N160 VanDerWaalsContact O-CA 3.26Å; G145-N160 WeakPolarHBondContact O-CA 3.31Å; A148-N160 HydrophobicContact CB-CB 4.04Å; A148-N160 WeakPolarHBondContact O-CB 3.03Å; A148-N160 PolarHBondContact O-ND2 3.08Å; N160-V162 PolarHBondContact O-N 3.25Å; N160-V162 VanDerWaalsContact O-N 3.15Å; N160-V162 PolarHBondContact OD1-N 3.18Å; N160-G163 PolarHBondContact O-N 3.24Å; N160-G163 VanDerWaalsContact O-N 3.13Å; N160-G163 PolarHBondContact OD1-N 2.94Å; N160-V164 WeakPolarHBondContact O-CB 3.49Å; N160-V164 WeakPolarHBondContact O-CG2 3.43Å; N160-V164 PolarHBondContact O-N 2.78Å
161N98.8Very high98.1Very high6 Ų635.1 Ų35.13%0.03222%0.215CC..Hα-helixtrans-53.2-37.9-179.5-52.9-17.1000112.4C119 V122 A143 F159 A165C119-N161 WeakPolarHBondContact CA-OD1 3.19Å; C119-N161 WeakPolarHBondContact CB-OD1 3.44Å; V122-N161 HydrophobicContact CB-CB 4.06Å; V122-N161 HydrophobicContact CG1-CB 4.39Å; V122-N161 HydrophobicContact CG2-CB 3.8Å; A143-N161 PolarHBondContact O-ND2 3.37Å; F159-N161 PolarHBondContact O-N 3.24Å; F159-N161 PolarHBondContact O-OD1 2.84Å; N161-A165 WeakPolarHBondContact O-CB 3.28Å; N161-A165 PolarHBondContact O-N 3.24Å; N161-A165 VanDerWaalsContact O-N 3.08Å
162V98.6Very high98.1Very high88 Ų8832.3 Ų32.353%0.53320%0.202SC..Hα-helixtrans-73.6-46.8179.4-179.30000110.6H146 N160 A165 A166H146-V162 HydrophobicContact CB-CG2 4.22Å; N160-V162 PolarHBondContact O-N 3.25Å; N160-V162 VanDerWaalsContact O-N 3.15Å; N160-V162 PolarHBondContact OD1-N 3.18Å; V162-A165 PolarHBondContact O-N 2.9Å; V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 3.3Å
163G98.7Very high98.1Very high11 Ų1130.2 Ų30.211%0.11320%0.195CC..Hα-helixtrans-59.5-47.9177.300000112N160 A166 S167N160-G163 PolarHBondContact O-N 3.24Å; N160-G163 VanDerWaalsContact O-N 3.13Å; N160-G163 PolarHBondContact OD1-N 2.94Å; G163-A166 PolarHBondContact O-N 3.02Å; G163-S167 WeakPolarHBondContact O-CB 3.15Å; G163-S167 PolarHBondContact O-N 3.02Å; G163-S167 PolarHBondContact O-OG 2.9Å
164V98.9Very high98.1Very high0 Ų032.1 Ų32.10%021%0.207CC..Hα-helixtrans-61.8-47.3176.7173.80000111.3V71 L72 F75 C119 V123 N160 A166 S167 Y168V71-V164 HydrophobicContact CG1-CG1 3.77Å; V71-V164 WeakPolarHBondContact O-CG1 3.41Å; L72-V164 HydrophobicContact CD2-CG2 4.22Å; F75-V164 HydrophobicContact CB-CG2 3.8Å; C119-V164 VanDerWaalsContact SG-CG1 3.56Å; V123-V164 HydrophobicContact CG2-CG1 3.99Å; N160-V164 WeakPolarHBondContact O-CB 3.49Å; N160-V164 WeakPolarHBondContact O-CG2 3.43Å; N160-V164 PolarHBondContact O-N 2.78Å; V164-A166 VanDerWaalsContact C-N 3.32Å; V164-A166 PolarHBondContact O-N 3.32Å; V164-S167 PolarHBondContact O-N 2.91Å; V164-Y168 WeakPolarHBondContact O-CB 3.29Å; V164-Y168 PolarHBondContact O-N 3.05Å
165A98.8Very high98.1Very high3 Ų332.5 Ų32.53%0.02521%0.212CC..Hα-helixtrans-66.6-33.9179.600000112.9V122 V123 N161 V162 Y168 A169V122-A165 HydrophobicContact CG1-CB 3.76Å; V123-A165 HydrophobicContact CG2-CB 4.19Å; N161-A165 WeakPolarHBondContact O-CB 3.28Å; N161-A165 PolarHBondContact O-N 3.24Å; N161-A165 VanDerWaalsContact O-N 3.08Å; V162-A165 PolarHBondContact O-N 2.9Å; A165-Y168 PolarHBondContact O-N 2.91Å; A165-A169 PolarHBondContact O-N 3.02Å
166A98.6Very high98.3Very high65 Ų6534 Ų3454%0.53722%0.219SC..Hα-helixtrans-71.3-36.3173.900000112.4V162 G163 V164 Y168V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 3.3Å; G163-A166 PolarHBondContact O-N 3.02Å; V164-A166 VanDerWaalsContact C-N 3.32Å; V164-A166 PolarHBondContact O-N 3.32Å; A166-Y168 VanDerWaalsContact C-N 3.28Å
167S98.6Very high98.3Very high53 Ų5333.1 Ų33.137%0.37122%0.22SC..Hα-helixtrans-72.7-21.8174.3-60.50000113.3G163 V164G163-S167 WeakPolarHBondContact O-CB 3.15Å; G163-S167 PolarHBondContact O-N 3.02Å; G163-S167 PolarHBondContact O-OG 2.9Å; V164-S167 PolarHBondContact O-N 2.91Å
168Y97.6Very high98.3Very high87 Ų8735.8 Ų35.834%0.34124%0.238SC..Hα-helixtrans-77.3-36.8174.2176.2-89.7000113.3V71 L74 V123 K127 V164 A165 A166V71-Y168 HydrophobicContact CG1-CD2 4.21Å; V71-Y168 HydrophobicContact CG2-CD2 4.45Å; L74-Y168 HydrophobicContact CD1-CD2 4.28Å; V123-Y168 HydrophobicContact CG1-CD1 4Å; V123-Y168 HydrophobicContact CG1-CD2 4.11Å; V123-Y168 HydrophobicContact CG1-CE1 4.25Å; V123-Y168 HydrophobicContact CG1-CE2 4.36Å; V123-Y168 HydrophobicContact CG1-CG 3.94Å; K127-Y168 HydrophobicContact CB-CE1 4.22Å; K127-Y168 HydrophobicContact CG-CE1 4.44Å; V164-Y168 WeakPolarHBondContact O-CB 3.29Å; V164-Y168 PolarHBondContact O-N 3.05Å; A165-Y168 PolarHBondContact O-N 2.91Å; A166-Y168 VanDerWaalsContact C-N 3.28Å
169A94.1Very high98.2Very high96 Ų9638.9 Ų38.979%0.79326%0.259SS*.  trans-78.30-175.100000112.9T126 I130 A165T126-A169 HydrophobicContact CG2-CB 3.75Å; I130-A169 HydrophobicContact CD1-CB 4.23Å; A165-A169 PolarHBondContact O-N 3.02Å

Retrieved 169 of 169 residues in 286.7 ms (Link to these results)

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