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Eukaryotic translation initiation factor 4C

Component of the 43S pre-initiation complex (43S PIC), which binds to the mRNA cap-proximal region, scans mRNA 5'-untranslated region, and locates the initiation codon. This protein enhances formation of the cap-proximal complex. Together with EIF1, facilitates scanning, start codon recognition, promotion of the assembly of 48S complex at the initiation codon (43S PIC becomes 48S PIC after the start codon is reached), and dissociation of aberrant complexes. After start codon location, together with EIF5B orients the initiator methionine-tRNA in a conformation that allows 60S ribosomal subunit joining to form the 80S initiation complex. Is released after 80S initiation complex formation, just after GTP hydrolysis by EIF5B, and before release of EIF5B. Its globular part is located in the A site of the 40S ribosomal subunit. Its interaction with EIF5 during scanning contribute to the maintenance of EIF1 within the open 43S PIC. In contrast to yeast orthologs, does not bind EIF1.

AlphaFold DB , UniProt , Accession B5X6Q9, Species SALSA (Salmo salar, Atlantic salmon), Gene IF1AX, Length 144 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
1M50.2Low53.5Low232 Ų232152.6 Ų152.6100%1.14383%0.825SS**  0119.30-78.4175.6173.200108.5K3M1-K3 PolarHBondContact O-N 2.95Å
2P49.9Very low53.7Low133 Ų133153.7 Ų153.786%0.86481%0.808SS**  trans-72.4123.4-176.9-2.418.4000109.5N4P2-N4 PolarHBondContact O-N 3.08Å
3K51.6Low54.4Low204 Ų204160.5 Ų160.589%0.88782%0.816SS**  trans-75.6123.1174.9-80.2179.5177.2172.20109M1 K5M1-K3 PolarHBondContact O-N 2.95Å; K3-K5 PolarHBondContact O-N 3.02Å
4N48Very low54.9Low165 Ų165166.4 Ų166.488%0.88282%0.823SS**  trans-50.9104.5172.2-101.313.3000110.9P2 G6P2-N4 PolarHBondContact O-N 3.08Å; N4-G6 PolarHBondContact O-N 3.12Å
5K53.1Low55.2Low217 Ų217160.3 Ų160.394%0.94382%0.821SS**  trans-77.464.4167.8-131.6171-173.7177.60108K3 K7K3-K5 PolarHBondContact O-N 3.02Å; K5-K7 PolarHBondContact O-N 3.15Å
6G54.8Low55.5Low60 Ų60162 Ų16262%0.61982%0.82SS**  trans-66.8125.3176.700000110.4N4 G8N4-G6 PolarHBondContact O-N 3.12Å; G6-G8 PolarHBondContact O-N 2.8Å
7K54.1Low55.5Low181 Ų181157.6 Ų157.679%0.78780%0.799SS**SBendtrans-6555.6172.1-111.2177-179.51750111.2K5 R12K5-K7 PolarHBondContact O-N 3.15Å; K7-R12 PolarHBondContact O-NE 2.96Å; K7-R12 PolarHBondContact O-NH1 3.33Å
8G57.8Low55.5Low64 Ų64158 Ų15866%0.6680%0.798SS**  trans-170.155.3-167.500000115G6G6-G8 PolarHBondContact O-N 2.8Å
9G58.7Low55.5Low49 Ų49155.3 Ų155.351%0.50579%0.785SS.*  trans-92155.8167.500000111.9N11 R12G9-N11 PolarHBondContact O-N 2.7Å; G9-R12 WeakPolarHBondContact O-CB 2.66Å; G9-R12 PolarHBondContact O-N 3.26Å
10K58.3Low55.5Low218 Ų218153.4 Ų153.495%0.94877%0.774SS**THydrogen-bonded Turntrans-59.2-3.7173.7-67.5176.1179.4174.10114.4
11N51.8Low55.6Low156 Ų156151.4 Ų151.483%0.83477%0.774SS**THydrogen-bonded Turntrans-105.513.9173.8-63.7-10000113G9 R13G9-N11 PolarHBondContact O-N 2.7Å; N11-R13 PolarHBondContact O-N 3.29Å
12R56Low56.1Low165 Ų165147 Ų14762%0.62375%0.75SS**SBendtrans-62110.9172.4-145.6174.9-172.8-175.2-0.8107.1K7 G9 R14K7-R12 PolarHBondContact O-NE 2.96Å; K7-R12 PolarHBondContact O-NH1 3.33Å; G9-R12 WeakPolarHBondContact O-CB 2.66Å; G9-R12 PolarHBondContact O-N 3.26Å; R12-R14 PolarHBondContact O-N 2.87Å; R12-R14 VanDerWaalsContact O-N 3.15Å
13R62.5Low56.9Low242 Ų242151 Ų15191%0.91375%0.754SS**  trans-36.3116.3-175.6-72.6174.6172.1172.7-4109.9N11 G15N11-R13 PolarHBondContact O-N 3.29Å; R13-G15 PolarHBondContact O-N 2.83Å
14R61.8Low58.2Low243 Ų243147 Ų14792%0.91773%0.734SS**  trans-49.6133.6165.3-90.9177.3167.3155.4-0.4107.2R12 K16R12-R14 PolarHBondContact O-N 2.87Å; R12-R14 VanDerWaalsContact O-N 3.15Å; R14-K16 PolarHBondContact O-N 2.84Å
15G60Low60Low76 Ų76147.6 Ų147.678%0.78473%0.731SS**  trans-45.1137.2-173.600000112.8R13 N17R13-G15 PolarHBondContact O-N 2.83Å; G15-N17 PolarHBondContact O-N 2.82Å
16K59.5Low61.7Low187 Ų187139.1 Ų139.181%0.81370%0.696SS**  trans-60.2131.5173.8-150.6176.6-177.1-170.40107.2R14 E18R14-K16 PolarHBondContact O-N 2.84Å; K16-E18 VanDerWaalsContact C-N 3.26Å; K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 PolarHBondContact O-N 2.83Å
17N55.6Low63.5Low87 Ų87139.6 Ų139.647%0.46569%0.687SS.*  trans-76.482.9177.7-171.142.9000107.5G15 N19G15-N17 PolarHBondContact O-N 2.82Å; N17-N19 PolarHBondContact O-N 3.49Å
18E55Low65.4Low165 Ų165135 Ų13577%0.77167%0.667SS**G310 helixtrans-70.5-8.1-174.3-75179.2168.400114.1K16K16-E18 VanDerWaalsContact C-N 3.26Å; K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 PolarHBondContact O-N 2.83Å
19N56.3Low67.1Low106 Ų106135.6 Ų135.657%0.56765%0.651SS**G310 helixtrans-101.220-167.9-147.2-4.1000114.5N17 E22N17-N19 PolarHBondContact O-N 3.49Å; N19-E22 PolarHBondContact OD1-OE2 2.94Å
20E55.9Low68.9Low118 Ų118139.6 Ų139.655%0.55166%0.657SS**G310 helixtrans-87.1-21175.8-165.5157.5-159.800112.1
21S56.3Low70.5Confident111 Ų111137.3 Ų137.378%0.77666%0.655SS**SBendtrans-92.9-11.5-178.4-51.70000114.5K23S21-K23 PolarHBondContact O-N 3.02Å
22E60.8Low72.5Confident139 Ų139131.7 Ų131.765%0.6563%0.634SS**SBendtrans-76.7123.3172.9-71.8-170.9168.300109.6N19 R24N19-E22 PolarHBondContact OD1-OE2 2.94Å; E22-R24 PolarHBondContact O-N 3.05Å
23K67.3Low74.4Confident217 Ų217125.6 Ų125.694%0.94361%0.613SS**  trans-59.297.3174.6-72.5-176.3178.7-178.30109.4S21S21-K23 PolarHBondContact O-N 3.02Å
24R79Confident76Confident121 Ų121115.5 Ų115.546%0.45758%0.576SS.*PPolyproline II helixtrans-74.4157.2174.165-172.2-174.5-172.61.7111E22 K94 E99E22-R24 PolarHBondContact O-N 3.05Å; R24-K94 PolarHBondContact NH2-O 2.92Å; R24-E99 IonicContact CZ-OE1 2.82Å; R24-E99 IonicContact CZ-OE2 3.45Å; R24-E99 IonicContact NE-OE1 3.9Å; R24-E99 PolarHBondContact NE-OE1 3.22Å; R24-E99 IonicContact NE-OE2 2.78Å; R24-E99 IonicContact NH2-OE1 2.75Å; R24-E99 PolarHBondContact NH2-OE1 2.9Å; R24-E99 IonicContact NH2-OE2 3.25Å; R24-E99 PolarHBondContact NH2-OE2 3.26Å
25E85Confident77.6Confident177 Ų177103.9 Ų103.983%0.82753%0.532SS*.PPolyproline II helixtrans-64.5138.2173.9-66.2-179.2170.100110.8V27E25-V27 PolarHBondContact O-N 2.98Å
26L88.8Confident79.3Confident39 Ų39100.3 Ų100.320%0.20450%0.495CS..PPolyproline II helixtrans-68.1122.3177.7-175.466.4000109.5F28 Y95 E99 L103 Y106L26-F28 HydrophobicContact CD2-CE1 4.14Å; L26-F28 HydrophobicContact CD2-CE2 4.46Å; L26-F28 HydrophobicContact CD2-CZ 3.87Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; L26-Y95 HydrophobicContact CD1-CD1 4.2Å; L26-Y95 HydrophobicContact CD1-CE1 4.15Å; L26-E99 HydrophobicContact CD1-CB 3.7Å; L26-E99 HydrophobicContact CD1-CG 4Å; L26-L103 HydrophobicContact CD1-CD2 4.41Å; L26-L103 HydrophobicContact CD1-CG 4.18Å; L26-L103 HydrophobicContact CD2-CD2 4.03Å; L26-L103 HydrophobicContact CD2-CG 4.22Å; L26-L103 HydrophobicContact CG-CD2 4.36Å; L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.85Å
27V92.7Very high81Confident71 Ų7193.4 Ų93.443%0.4347%0.466SS..PPolyproline II helixtrans-90.8121.6178.2-178.70000109.6E25 L78 L93 Y95E25-V27 PolarHBondContact O-N 2.98Å; V27-L78 HydrophobicContact CG1-CD2 4.43Å; V27-L93 HydrophobicContact CB-CD2 3.9Å; V27-L93 HydrophobicContact CG1-CD2 4.48Å; V27-L93 HydrophobicContact CG2-CD2 4.17Å; V27-Y95 VanDerWaalsContact O-CE1 3.32Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.25Å
28F93.9Very high82.9Confident85 Ų8589.3 Ų89.337%0.37344%0.444SS..PPolyproline II helixtrans-86.3161.1174.2-65.1-84.7000111.7L26 Y35 L103 Y106 E108L26-F28 HydrophobicContact CD2-CE1 4.14Å; L26-F28 HydrophobicContact CD2-CE2 4.46Å; L26-F28 HydrophobicContact CD2-CZ 3.87Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; F28-Y35 WeakPolarHBondContact CA-OH 3.48Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; F28-Y106 HydrophobicContact CE1-CD2 4.07Å; F28-Y106 HydrophobicContact CE1-CG 4.23Å; F28-Y106 HydrophobicContact CZ-CD2 4.03Å; F28-Y106 HydrophobicContact CZ-CE2 4.18Å; F28-Y106 HydrophobicContact CZ-CG 4.36Å; F28-E108 HydrophobicContact CD1-CG 4.1Å; F28-E108 HydrophobicContact CE1-CG 4.27Å
29K94.1Very high84.8Confident75 Ų7584.8 Ų84.833%0.32642%0.424SS..PPolyproline II helixtrans-68.9145.4174.169.5173.5177.8-178.40110.7Q33 E34 Y35 L78K29-Q33 HydrophobicContact CB-CB 4.47Å; K29-E34 IonicContact NZ-OE1 2.8Å; K29-E34 PolarHBondContact NZ-OE1 2.71Å; K29-E34 IonicContact NZ-OE2 3.76Å; K29-E34 PolarHBondContact NZ-OE2 2.69Å; K29-Y35 HydrophobicContact CB-CD2 4.41Å; K29-Y35 HydrophobicContact CB-CE1 4.18Å; K29-Y35 HydrophobicContact CB-CE2 3.83Å; K29-Y35 HydrophobicContact CD-CD2 3.67Å; K29-Y35 HydrophobicContact CD-CE2 3.46Å; K29-Y35 VanDerWaalsContact CD-CE2 3.46Å; K29-Y35 HydrophobicContact CG-CD2 4.19Å; K29-Y35 HydrophobicContact CG-CE2 3.49Å; K29-Y35 VanDerWaalsContact CG-CE2 3.49Å; K29-Y35 PolarHBondContact N-OH 2.76Å; K29-L78 HydrophobicContact CB-CD1 3.79Å
30E95.4Very high86.7Confident133 Ų13384.5 Ų84.562%0.62142%0.418SS*.  trans-111.6177.5173.7-62.1176.9158.700110.5G32 Q33E30-G32 PolarHBondContact O-N 2.98Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact OE2-NE2 3.21Å
31D92.8Very high88.6Confident170 Ų17083 Ų8391%0.90941%0.412SS*.THydrogen-bonded Turntrans-59138.1174-17140.7000111.6Q33D31-Q33 PolarHBondContact O-N 3.1Å
32G93.4Very high90.4Very high39 Ų3981.4 Ų81.440%0.40239%0.394SS..THydrogen-bonded Turntrans71.811.7-172.400000114.9E30 L81E30-G32 PolarHBondContact O-N 2.98Å; G32-L81 WeakPolarHBondContact O-CB 3.48Å; G32-L81 PolarHBondContact O-N 2.88Å
33Q96.2Very high92Very high36 Ų3676.8 Ų76.817%0.16838%0.384CS..EExtended strand (participates in β ladder)trans-122.8154173.6-53.817613.300110.6K29 E30 D31 L78 V79 I92K29-Q33 HydrophobicContact CB-CB 4.47Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact OE2-NE2 3.21Å; D31-Q33 PolarHBondContact O-N 3.1Å; Q33-L78 HydrophobicContact CB-CD1 4.17Å; Q33-V79 CarbonylContact C-O 3.56Å; Q33-V79 WeakPolarHBondContact CA-O 3.42Å; Q33-V79 WeakPolarHBondContact CB-O 3.34Å; Q33-I92 HydrophobicContact CG-CD1 3.75Å
34E95.6Very high93.2Very high30 Ų3072.8 Ų72.814%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-143.8153.2177-165.548.1-97.400110.8K29 C51 D53 V79 L81K29-E34 IonicContact NZ-OE1 2.8Å; K29-E34 PolarHBondContact NZ-OE1 2.71Å; K29-E34 IonicContact NZ-OE2 3.76Å; K29-E34 PolarHBondContact NZ-OE2 2.69Å; E34-C51 HydrophobicContact CG-CB 4.41Å; E34-D53 HydrophobicContact CG-CB 4.43Å; E34-V79 HydrophobicContact CB-CG2 4.27Å; E34-V79 PolarHBondContact N-O 3.44Å; E34-V79 WeakPolarHBondContact O-CG2 3.15Å; E34-V79 PolarHBondContact O-N 3.1Å; E34-L81 HydrophobicContact CB-CD1 4.42Å; E34-L81 HydrophobicContact CB-CD2 4.29Å
35Y96.1Very high93.9Very high0 Ų067.7 Ų67.70%036%0.358CS..EExtended strand (participates in β ladder)trans-76.7145.6170.8-61.3-65.9000109.7F28 K29 C51 F52 L78 Y95 L103 E108 L109F28-Y35 WeakPolarHBondContact CA-OH 3.48Å; K29-Y35 HydrophobicContact CB-CD2 4.41Å; K29-Y35 HydrophobicContact CB-CE1 4.18Å; K29-Y35 HydrophobicContact CB-CE2 3.83Å; K29-Y35 HydrophobicContact CD-CD2 3.67Å; K29-Y35 HydrophobicContact CD-CE2 3.46Å; K29-Y35 VanDerWaalsContact CD-CE2 3.46Å; K29-Y35 HydrophobicContact CG-CD2 4.19Å; K29-Y35 HydrophobicContact CG-CE2 3.49Å; K29-Y35 VanDerWaalsContact CG-CE2 3.49Å; K29-Y35 PolarHBondContact N-OH 2.76Å; Y35-C51 WeakPolarHBondContact O-CA 3.38Å; Y35-F52 VanDerWaalsContact CB-CD2 3.49Å; Y35-F52 WeakPolarHBondContact O-CD2 3.25Å; Y35-F52 PolarHBondContact O-N 2.94Å; Y35-L78 HydrophobicContact CD1-CD1 4.1Å; Y35-L78 HydrophobicContact CE1-CD1 4.12Å; Y35-Y95 AromaticContact CD1-CE2 3.87Å; Y35-Y95 HydrophobicContact CD1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CE2 3.89Å; Y35-Y95 HydrophobicContact CE1-CE2 3.89Å; Y35-Y95 AromaticContact CE1-CZ 3.85Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.21Å; Y35-L103 HydrophobicContact CD1-CD1 4.44Å; Y35-L103 HydrophobicContact CE1-CD1 4Å; Y35-L103 HydrophobicContact CE1-CD2 4.09Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.1Å; Y35-E108 HydrophobicContact CD2-CB 4.48Å; Y35-E108 HydrophobicContact CE2-CB 3.76Å; Y35-E108 HydrophobicContact CE2-CG 4.27Å; Y35-L109 HydrophobicContact CD2-CD2 4.32Å; Y35-L109 HydrophobicContact CG-CD2 4.07Å
36A95.9Very high94.4Very high0 Ų065 Ų650%034%0.34CS..EExtended strand (participates in β ladder)trans-145.3154.3174.200000112.3A49 M50 C51 I77 V79A36-A49 HydrophobicContact CB-CB 3.87Å; A36-M50 CarbonylContact C-O 3.54Å; A36-M50 VanDerWaalsContact CA-O 3.26Å; A36-M50 WeakPolarHBondContact CA-O 3.32Å; A36-M50 WeakPolarHBondContact CB-O 3.32Å; A36-C51 HydrophobicContact CB-CB 4.36Å; A36-I77 HydrophobicContact CB-CD1 4.43Å; A36-I77 HydrophobicContact CB-CG1 4.05Å; A36-I77 PolarHBondContact N-O 3.07Å; A36-I77 WeakPolarHBondContact O-CG1 3.4Å; A36-I77 PolarHBondContact O-N 2.82Å; A36-V79 HydrophobicContact CB-CG1 3.99Å; A36-V79 HydrophobicContact CB-CG2 4.1Å
37Q95.1Very high94.8Very high43 Ų4363.1 Ų63.120%0.20133%0.33CS..EExtended strand (participates in β ladder)trans-105.8131.8169.1177.8165.260.900110.2I39 A49 M50 F52 S74 D75 I76 K114Q37-I39 PolarHBondContact O-N 2.76Å; Q37-A49 CarbonylContact O-C 3.54Å; Q37-A49 VanDerWaalsContact O-CA 3.25Å; Q37-A49 WeakPolarHBondContact O-CA 3.46Å; Q37-A49 WeakPolarHBondContact O-CB 3.47Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 2.89Å; Q37-F52 HydrophobicContact CB-CZ 4.36Å; Q37-S74 PolarHBondContact NE2-O 3.29Å; Q37-S74 VanDerWaalsContact NE2-O 3.13Å; Q37-D75 WeakPolarHBondContact CA-O 3.22Å; Q37-I76 HydrophobicContact CB-CD1 4.02Å; Q37-I76 HydrophobicContact CG-CD1 4.19Å; Q37-K114 PolarHBondContact NE2-O 2.8Å
38V95.7Very high95Very high1 Ų161.5 Ų61.51%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-69.3124.7176.7-177.20000109.9M41 L47 I71 N72 S74 D75 I77V38-M41 HydrophobicContact CG1-SD 4.23Å; V38-L47 HydrophobicContact CG1-CB 4.38Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.39Å; V38-L47 HydrophobicContact CG2-CD1 4.14Å; V38-L47 HydrophobicContact CG2-CD2 4.15Å; V38-I71 HydrophobicContact CG2-CG2 3.8Å; V38-N72 WeakPolarHBondContact CB-O 3.26Å; V38-N72 WeakPolarHBondContact CG1-O 3.46Å; V38-S74 WeakPolarHBondContact O-CA 3.35Å; V38-S74 PolarHBondContact O-N 3.25Å; V38-D75 HydrophobicContact CG2-CB 4.39Å; V38-D75 PolarHBondContact N-O 3.13Å; V38-I77 HydrophobicContact CG2-CD1 3.86Å; V38-I77 HydrophobicContact CG2-CG1 4.16Å; V38-I77 HydrophobicContact CG2-CG2 4.02Å
39I95.2Very high95.1Very high69 Ų6957.5 Ų57.535%0.35430%0.301SS..EExtended strand (participates in β ladder)trans-86.4-55.4173.6-62.5164.5000109.4Q37 E48 M50 K56Q37-I39 PolarHBondContact O-N 2.76Å; I39-E48 HydrophobicContact CD1-CG 4.26Å; I39-E48 PolarHBondContact N-O 2.97Å; I39-M50 HydrophobicContact CD1-CB 3.89Å; I39-M50 HydrophobicContact CG1-CB 4.07Å; I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.16Å
40K95.3Very high95.2Very high101 Ų10157.1 Ų57.144%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-153.8152.9-176.960.3174.9172.5179.70112.1L42 L47 E48K40-L42 HydrophobicContact CD-CD2 4.17Å; K40-L42 HydrophobicContact CG-CD2 4.3Å; K40-L47 WeakPolarHBondContact O-CA 3.49Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 HydrophobicContact CG-CB 3.95Å; K40-E48 PolarHBondContact N-O 3.35Å; K40-E48 IonicContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact NZ-OE2 3.48Å; K40-E48 VanDerWaalsContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact O-N 3.2Å
41M95.6Very high95.2Very high85 Ų8550.8 Ų50.842%0.41927%0.272SS..EExtended strand (participates in β ladder)trans-84.8134.3172.2-60.5-60.8-80.300109.8V38 L47 I61 I71V38-M41 HydrophobicContact CG1-SD 4.23Å; M41-L47 HydrophobicContact SD-CB 3.7Å; M41-L47 HydrophobicContact SD-CD2 4.05Å; M41-I61 HydrophobicContact CE-CD1 3.99Å; M41-I71 WeakPolarHBondContact CE-O 2.99Å
42L94.8Very high95.2Very high79 Ų7945.3 Ų45.341%0.41424%0.24SC..EExtended strand (participates in β ladder)trans-102.8-7.9179.6-61176.3000112.7K40 R46 E48 L58K40-L42 HydrophobicContact CD-CD2 4.17Å; K40-L42 HydrophobicContact CG-CD2 4.3Å; L42-R46 HydrophobicContact CB-CB 4.23Å; L42-R46 PolarHBondContact N-O 2.96Å; L42-E48 HydrophobicContact CD1-CB 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.31Å
43G93.8Very high95.1Very high41 Ų4146.8 Ų46.842%0.42324%0.238SC..EExtended strand (participates in β ladder)trans82177-174.800000113G45 R46G43-G45 PolarHBondContact O-N 3.36Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G43-R46 PolarHBondContact N-O 3.04Å; G43-R46 WeakPolarHBondContact O-CB 3.24Å; G43-R46 PolarHBondContact O-N 3.38Å
44N93.3Very high94.8Very high133 Ų13347.4 Ų47.471%0.71125%0.254SS*.THydrogen-bonded Turntrans4740.4-176.7-166.420.9000113.9R46N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact ND2-NH1 3.09Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-R46 PolarHBondContact O-NH1 2.86Å
45G92.4Very high94.8Very high15 Ų1547.9 Ų47.916%0.15526%0.259CS..THydrogen-bonded Turntrans6822-17900000114.9G43 I61G43-G45 PolarHBondContact O-N 3.36Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G45-I61 WeakPolarHBondContact O-CB 3.46Å; G45-I61 WeakPolarHBondContact O-CG1 3.25Å; G45-I61 PolarHBondContact O-N 3.41Å
46R95.9Very high94.8Very high119 Ų11953.6 Ų53.645%0.44928%0.284SS..EExtended strand (participates in β ladder)trans-118.1150.3176.5-65.2177.1-179.778.6-4.5111.2L42 G43 N44 C59L42-R46 HydrophobicContact CB-CB 4.23Å; L42-R46 PolarHBondContact N-O 2.96Å; G43-R46 PolarHBondContact N-O 3.04Å; G43-R46 WeakPolarHBondContact O-CB 3.24Å; G43-R46 PolarHBondContact O-N 3.38Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact ND2-NH1 3.09Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-R46 PolarHBondContact O-NH1 2.86Å; R46-C59 WeakPolarHBondContact CA-O 3.37Å
47L96.9Very high94.8Very high0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-143.9160.5175.263.184.4000110.4V38 K40 M41 A49 C59 I61 I71 I77 V91V38-L47 HydrophobicContact CG1-CB 4.38Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.39Å; V38-L47 HydrophobicContact CG2-CD1 4.14Å; V38-L47 HydrophobicContact CG2-CD2 4.15Å; K40-L47 WeakPolarHBondContact O-CA 3.49Å; M41-L47 HydrophobicContact SD-CB 3.7Å; M41-L47 HydrophobicContact SD-CD2 4.05Å; L47-A49 HydrophobicContact CD1-CB 3.74Å; L47-C59 HydrophobicContact CD1-CB 3.55Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.9Å; L47-C59 PolarHBondContact O-N 3.4Å; L47-I61 HydrophobicContact CD2-CD1 4.12Å; L47-I61 HydrophobicContact CD2-CG1 3.97Å; L47-I71 HydrophobicContact CD2-CG2 3.87Å; L47-I77 HydrophobicContact CD1-CD1 4.08Å; L47-V91 HydrophobicContact CD2-CG2 4.21Å
48E97.3Very high94.9Very high38 Ų3856 Ų5618%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-102126.7169.4-171.3176.5150.700108.3I39 K40 L42I39-E48 HydrophobicContact CD1-CG 4.26Å; I39-E48 PolarHBondContact N-O 2.97Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 HydrophobicContact CG-CB 3.95Å; K40-E48 PolarHBondContact N-O 3.35Å; K40-E48 IonicContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact NZ-OE2 3.48Å; K40-E48 VanDerWaalsContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact O-N 3.2Å; L42-E48 HydrophobicContact CD1-CB 4.34Å
49A96.8Very high95Very high0 Ų056 Ų560%030%0.297CS..EExtended strand (participates in β ladder)trans-126.2141.6178.700000111.5A36 Q37 L47 K56 R57 I77A36-A49 HydrophobicContact CB-CB 3.87Å; Q37-A49 CarbonylContact O-C 3.54Å; Q37-A49 VanDerWaalsContact O-CA 3.25Å; Q37-A49 WeakPolarHBondContact O-CA 3.46Å; Q37-A49 WeakPolarHBondContact O-CB 3.47Å; L47-A49 HydrophobicContact CD1-CB 3.74Å; A49-K56 WeakPolarHBondContact O-CA 3.44Å; A49-R57 PolarHBondContact N-O 2.85Å; A49-R57 PolarHBondContact O-N 3.47Å; A49-I77 HydrophobicContact CB-CD1 4.15Å
50M95.9Very high95Very high67 Ų6756.1 Ų56.133%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-86110.5168.3-169.471.3-172.500107.9A36 Q37 I39 G54 K56A36-M50 CarbonylContact C-O 3.54Å; A36-M50 VanDerWaalsContact CA-O 3.26Å; A36-M50 WeakPolarHBondContact CA-O 3.32Å; A36-M50 WeakPolarHBondContact CB-O 3.32Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 2.89Å; I39-M50 HydrophobicContact CD1-CB 3.89Å; I39-M50 HydrophobicContact CG1-CB 4.07Å; M50-G54 WeakPolarHBondContact CE-O 3.42Å; M50-K56 HydrophobicContact SD-CD 4.27Å; M50-K56 HydrophobicContact SD-CG 3.41Å; M50-K56 WeakPolarHBondContact SD-CG 3.39Å
51C94.7Very high95Very high1 Ų152 Ų521%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-76.4148.7173.9-59.70000109.5E34 Y35 A36 D53 G54 V55 R57E34-C51 HydrophobicContact CG-CB 4.41Å; Y35-C51 WeakPolarHBondContact O-CA 3.38Å; A36-C51 HydrophobicContact CB-CB 4.36Å; C51-D53 WeakPolarHBondContact CB-OD1 3.08Å; C51-D53 PolarHBondContact O-N 2.84Å; C51-G54 PolarHBondContact O-N 2.86Å; C51-V55 WeakPolarHBondContact CB-O 3.33Å; C51-V55 PolarHBondContact N-O 2.78Å; C51-R57 VanDerWaalsContact CB-NH1 3.3Å; C51-R57 PolarHBondContact SG-NH1 2.97Å
52F92.7Very high95Very high54 Ų5453.5 Ų53.524%0.23728%0.28CS..THydrogen-bonded Turntrans-75.3-2.3-178.2-73.3-74.3000113.8Y35 Q37 I76 L109 P110 A113Y35-F52 VanDerWaalsContact CB-CD2 3.49Å; Y35-F52 WeakPolarHBondContact O-CD2 3.25Å; Y35-F52 PolarHBondContact O-N 2.94Å; Q37-F52 HydrophobicContact CB-CZ 4.36Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.23Å; F52-L109 HydrophobicContact CD2-CD2 3.71Å; F52-L109 HydrophobicContact CE2-CD2 3.42Å; F52-L109 VanDerWaalsContact CE2-CD2 3.42Å; F52-L109 HydrophobicContact CG-CD2 4.37Å; F52-L109 HydrophobicContact CZ-CD2 3.85Å; F52-P110 VanDerWaalsContact CD1-CD 3.4Å; F52-P110 HydrophobicContact CD1-CG 3.67Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; F52-A113 HydrophobicContact CE1-CB 3.98Å; F52-A113 HydrophobicContact CZ-CB 4.06Å
53D91.2Very high94.8Very high70 Ų7052.1 Ų52.137%0.37429%0.285SS..THydrogen-bonded Turntrans-77.2-4.916362.36000113.4E34 C51 V55 R57E34-D53 HydrophobicContact CG-CB 4.43Å; C51-D53 WeakPolarHBondContact CB-OD1 3.08Å; C51-D53 PolarHBondContact O-N 2.84Å; D53-V55 PolarHBondContact OD1-N 3.3Å; D53-R57 IonicContact OD1-NH1 3.49Å; D53-R57 IonicContact OD2-CZ 3.95Å; D53-R57 IonicContact OD2-NH1 2.7Å; D53-R57 PolarHBondContact OD2-NH1 2.86Å; D53-R57 IonicContact OD2-NH2 3.39Å; D53-R57 PolarHBondContact OD2-NH2 2.94Å
54G91Very high94.6Very high49 Ų4956.8 Ų56.851%0.50529%0.293SS..SBendtrans96.3-2.3179.600000114.7M50 C51M50-G54 WeakPolarHBondContact CE-O 3.42Å; C51-G54 PolarHBondContact O-N 2.86Å
55V94.2Very high94.5Very high41 Ų4151 Ų5125%0.24826%0.262CS..  trans-97.3134.1-176-175.30000111.3C51 D53 R57C51-V55 WeakPolarHBondContact CB-O 3.33Å; C51-V55 PolarHBondContact N-O 2.78Å; D53-V55 PolarHBondContact OD1-N 3.3Å; V55-R57 HydrophobicContact CG1-CG 4.02Å
56K96.4Very high94.2Very high119 Ų11958.4 Ų58.452%0.51729%0.285SS..EExtended strand (participates in β ladder)trans-83.2121.1169-68.3-177.3-178.4-179.20109.4I39 A49 M50I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.16Å; A49-K56 WeakPolarHBondContact O-CA 3.44Å; M50-K56 HydrophobicContact SD-CD 4.27Å; M50-K56 HydrophobicContact SD-CG 3.41Å; M50-K56 WeakPolarHBondContact SD-CG 3.39Å
57R96.6Very high93.7Very high7 Ų761.6 Ų61.63%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-118.7147.2-179.7-62.6-171.7176.8107.1-2.4111.5A49 C51 D53 V55 C59 D86 A89A49-R57 PolarHBondContact N-O 2.85Å; A49-R57 PolarHBondContact O-N 3.47Å; C51-R57 VanDerWaalsContact CB-NH1 3.3Å; C51-R57 PolarHBondContact SG-NH1 2.97Å; D53-R57 IonicContact OD1-NH1 3.49Å; D53-R57 IonicContact OD2-CZ 3.95Å; D53-R57 IonicContact OD2-NH1 2.7Å; D53-R57 PolarHBondContact OD2-NH1 2.86Å; D53-R57 IonicContact OD2-NH2 3.39Å; D53-R57 PolarHBondContact OD2-NH2 2.94Å; V55-R57 HydrophobicContact CG1-CG 4.02Å; R57-C59 PolarHBondContact O-N 3.03Å; R57-D86 WeakPolarHBondContact CD-O 3.44Å; R57-D86 WeakPolarHBondContact CG-O 3.22Å; R57-D86 IonicContact CZ-OD1 3.51Å; R57-D86 PolarHBondContact NE-O 3.47Å; R57-D86 IonicContact NE-OD1 3.35Å; R57-D86 PolarHBondContact NE-OD1 2.84Å; R57-D86 IonicContact NH2-OD1 3.61Å; R57-D86 PolarHBondContact NH2-OD1 3.31Å; R57-D86 IonicContact NH2-OD2 2.94Å; R57-A89 HydrophobicContact CB-CB 4.41Å
58L96.8Very high93.2Very high86 Ų8667.2 Ų67.245%0.4533%0.327SS..EExtended strand (participates in β ladder)trans-83.8109.9167.6-71.3169.8000108.6L42 Q87 K88 A89L42-L58 HydrophobicContact CD1-CD2 3.31Å; L58-Q87 PolarHBondContact N-O 2.83Å; L58-K88 HydrophobicContact CB-CG 4.47Å; L58-K88 WeakPolarHBondContact O-CA 3.24Å; L58-A89 PolarHBondContact O-N 2.8Å; L58-A89 VanDerWaalsContact O-N 3.1Å
59C97.3Very high92.8Very high1 Ų167.2 Ų67.21%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-98.3138-176.9-56.20000111.3R46 L47 R57 A89 V91R46-C59 WeakPolarHBondContact CA-O 3.37Å; L47-C59 HydrophobicContact CD1-CB 3.55Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.9Å; L47-C59 PolarHBondContact O-N 3.4Å; R57-C59 PolarHBondContact O-N 3.03Å; C59-A89 CarbonylContact C-O 3.51Å; C59-A89 VanDerWaalsContact CA-O 3.24Å; C59-A89 WeakPolarHBondContact CA-O 3.48Å; C59-V91 HydrophobicContact CB-CG2 3.83Å
60H96.3Very high92.5Very high72 Ų7277.5 Ų77.533%0.33337%0.368SS..EExtended strand (participates in β ladder)trans-104.2128.1172.6178.3-99000110.6R62 A89 D90 V91H60-R62 PolarHBondContact O-N 3.48Å; H60-A89 PolarHBondContact N-O 3.34Å; H60-D90 IonicContact CG-OD1 2.69Å; H60-D90 IonicContact ND1-OD1 3.21Å; H60-D90 CarbonylContact O-C 3.51Å; H60-D90 WeakPolarHBondContact O-CA 3.4Å; H60-V91 PolarHBondContact O-N 3.49Å
61I96.1Very high92.3Very high16 Ų1674.8 Ų74.88%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-75.6116.7-177.5-57.6171.9000108.6M41 G45 L47 G63 L65 R66 I71 V91M41-I61 HydrophobicContact CE-CD1 3.99Å; G45-I61 WeakPolarHBondContact O-CB 3.46Å; G45-I61 WeakPolarHBondContact O-CG1 3.25Å; G45-I61 PolarHBondContact O-N 3.41Å; L47-I61 HydrophobicContact CD2-CD1 4.12Å; L47-I61 HydrophobicContact CD2-CG1 3.97Å; I61-G63 PolarHBondContact O-N 2.91Å; I61-L65 HydrophobicContact CG2-CB 3.96Å; I61-R66 HydrophobicContact CG2-CB 4.35Å; I61-I71 HydrophobicContact CD1-CD1 4.33Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.14Å; I61-V91 HydrophobicContact CG1-CG2 4.36Å
62R93.7Very high92.2Very high116 Ų11679.1 Ų79.144%0.43838%0.379SS..  trans-56.9137.5178.2-173169.277.9163.3-2.4110.3H60 K64 L65 R66 V91H60-R62 PolarHBondContact O-N 3.48Å; R62-K64 PolarHBondContact O-N 2.75Å; R62-L65 HydrophobicContact CB-CD1 3.9Å; R62-L65 WeakPolarHBondContact O-CB 3.49Å; R62-L65 PolarHBondContact O-N 3.3Å; R62-R66 PolarHBondContact O-N 3.37Å; R62-V91 WeakPolarHBondContact CB-O 3.5Å
63G91.8Very high92.2Very high49 Ų4979.5 Ų79.551%0.50539%0.388SS..Hα-helixtrans-56.3-28.1-173.900000114.6I61I61-G63 PolarHBondContact O-N 2.91Å
64K90.1Very high92.3Very high140 Ų14078.5 Ų78.561%0.60939%0.386SS*.Hα-helixtrans-62.1-41173.6-172.6179179.5-177.30112.2R62R62-K64 PolarHBondContact O-N 2.75Å
65L89.5Confident92.4Very high10 Ų1077.2 Ų77.25%0.05237%0.368CS..Hα-helixtrans-74.5-40178.2-75.5122.7000111.7I61 R62 K67 K68 V69 V91 I92I61-L65 HydrophobicContact CG2-CB 3.96Å; R62-L65 HydrophobicContact CB-CD1 3.9Å; R62-L65 WeakPolarHBondContact O-CB 3.49Å; R62-L65 PolarHBondContact O-N 3.3Å; L65-K67 PolarHBondContact O-N 2.85Å; L65-K68 PolarHBondContact O-N 2.97Å; L65-V69 HydrophobicContact CD2-CB 4.07Å; L65-V69 HydrophobicContact CD2-CG1 4.37Å; L65-V69 HydrophobicContact CD2-CG2 4.19Å; L65-V69 PolarHBondContact O-N 3.37Å; L65-V91 HydrophobicContact CD1-CG1 4.45Å; L65-V91 VanDerWaalsContact CD1-O 3.27Å; L65-V91 WeakPolarHBondContact CD1-O 3.43Å; L65-I92 VanDerWaalsContact CD1-O 3.29Å; L65-I92 WeakPolarHBondContact CD1-O 3.32Å
66R87.7Confident92.4Very high171 Ų17175.5 Ų75.565%0.64536%0.357SS*.Hα-helixtrans-53.5-25.6-175.5-171.7175180-85.60.3114.5I61 R62I61-R66 HydrophobicContact CG2-CB 4.35Å; R62-R66 PolarHBondContact O-N 3.37Å
67K84.3Confident92.4Very high186 Ų18669.9 Ų69.981%0.80933%0.333SS*.THydrogen-bonded Turntrans-98.4-16.4178.7-65.4-176.3-179.3176.30114.2L65L65-K67 PolarHBondContact O-N 2.85Å
68K86Confident92.4Very high118 Ų11869.6 Ų69.651%0.51333%0.332SS..THydrogen-bonded Turntrans-115-34.3-169-69.6-164.4172.3-153.20113.4L65L65-K68 PolarHBondContact O-N 2.97Å
69V89.4Confident92.4Very high38 Ų3865.5 Ų65.523%0.2331%0.31CS..  trans-131131.3-167.9-178.10000109.3L65 K94L65-V69 HydrophobicContact CD2-CB 4.07Å; L65-V69 HydrophobicContact CD2-CG1 4.37Å; L65-V69 HydrophobicContact CD2-CG2 4.19Å; L65-V69 PolarHBondContact O-N 3.37Å; V69-K94 HydrophobicContact CG1-CB 3.79Å; V69-K94 HydrophobicContact CG1-CD 3.47Å; V69-K94 VanDerWaalsContact CG1-CD 3.47Å; V69-K94 HydrophobicContact CG1-CG 4.25Å
70W90.7Very high92.4Very high216 Ų21666 Ų6682%0.81832%0.316SS*.  trans-92.5129.5173.7-64.673.7000109.2K94W70-K94 WeakPolarHBondContact O-CD 3.27Å; W70-K94 PolarHBondContact O-NZ 3.39Å
71I92.5Very high92.3Very high10 Ų1065.3 Ų65.35%0.05131%0.314CS..  trans-115.8125.7-179-57.3173.7000107.6V38 M41 L47 I61 I77 V91 K94V38-I71 HydrophobicContact CG2-CG2 3.8Å; M41-I71 WeakPolarHBondContact CE-O 2.99Å; L47-I71 HydrophobicContact CD2-CG2 3.87Å; I61-I71 HydrophobicContact CD1-CD1 4.33Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.14Å; I71-I77 HydrophobicContact CG2-CG2 4.29Å; I71-V91 HydrophobicContact CD1-CG1 4Å; I71-K94 HydrophobicContact CG1-CB 4.5Å; I71-K94 HydrophobicContact CG1-CD 4.48Å
72N92.2Very high92.3Very high93 Ų9367.2 Ų67.250%0.49732%0.32SS..  trans-113.8172.1178.9-67.9-37.2000111.1V38 D75V38-N72 WeakPolarHBondContact CB-O 3.26Å; V38-N72 WeakPolarHBondContact CG1-O 3.46Å; N72-D75 PolarHBondContact N-OD2 3.09Å; N72-D75 WeakPolarHBondContact O-CB 3.36Å
73S92.5Very high92.1Very high61 Ų6169.3 Ų69.343%0.42734%0.34SS..THydrogen-bonded Turntrans-61.6146.2169.549.30000111D75S73-D75 PolarHBondContact O-N 3.07Å
74S92.8Very high92.1Very high50 Ų5074.7 Ų74.735%0.3535%0.347SS..THydrogen-bonded Turntrans70.6-1.2-177.9-52.80000116.4Q37 V38Q37-S74 PolarHBondContact NE2-O 3.29Å; Q37-S74 VanDerWaalsContact NE2-O 3.13Å; V38-S74 WeakPolarHBondContact O-CA 3.35Å; V38-S74 PolarHBondContact O-N 3.25Å
75D94Very high92.3Very high22 Ų2271.4 Ų71.412%0.11833%0.333CS..  trans-64.7147.6171.2-73.4-8.3000111.4Q37 V38 N72 S73 K94Q37-D75 WeakPolarHBondContact CA-O 3.22Å; V38-D75 HydrophobicContact CG2-CB 4.39Å; V38-D75 PolarHBondContact N-O 3.13Å; N72-D75 PolarHBondContact N-OD2 3.09Å; N72-D75 WeakPolarHBondContact O-CB 3.36Å; S73-D75 PolarHBondContact O-N 3.07Å; D75-K94 VanDerWaalsContact OD2-CE 3.24Å; D75-K94 WeakPolarHBondContact OD2-CE 3.46Å; D75-K94 IonicContact OD2-NZ 2.63Å
76I94.6Very high92.4Very high5 Ų574.6 Ų74.63%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-91.8129.6172.3-53-58.1000109Q37 F52 Y95 A100 L109Q37-I76 HydrophobicContact CB-CD1 4.02Å; Q37-I76 HydrophobicContact CG-CD1 4.19Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.23Å; I76-Y95 HydrophobicContact CG2-CD2 3.99Å; I76-Y95 PolarHBondContact O-N 3.47Å; I76-A100 HydrophobicContact CB-CB 4.23Å; I76-A100 HydrophobicContact CG1-CB 3.95Å; I76-L109 HydrophobicContact CG2-CD1 4.23Å
77I95.6Very high92.7Very high0 Ų071.9 Ų71.90%035%0.345CS..EExtended strand (participates in β ladder)trans-132.9155.7-175.258.8166.1000111A36 V38 L47 A49 I71 V79 V91 L93 K94A36-I77 HydrophobicContact CB-CD1 4.43Å; A36-I77 HydrophobicContact CB-CG1 4.05Å; A36-I77 PolarHBondContact N-O 3.07Å; A36-I77 WeakPolarHBondContact O-CG1 3.4Å; A36-I77 PolarHBondContact O-N 2.82Å; V38-I77 HydrophobicContact CG2-CD1 3.86Å; V38-I77 HydrophobicContact CG2-CG1 4.16Å; V38-I77 HydrophobicContact CG2-CG2 4.02Å; L47-I77 HydrophobicContact CD1-CD1 4.08Å; A49-I77 HydrophobicContact CB-CD1 4.15Å; I71-I77 HydrophobicContact CG2-CG2 4.29Å; I77-V79 HydrophobicContact CD1-CG1 3.63Å; I77-V79 HydrophobicContact CG1-CG1 4.07Å; I77-V91 HydrophobicContact CB-CG1 4.25Å; I77-V91 HydrophobicContact CD1-CG1 4.26Å; I77-V91 HydrophobicContact CD1-CG2 4Å; I77-V91 HydrophobicContact CG2-CG1 4.42Å; I77-L93 WeakPolarHBondContact CA-O 3.5Å; I77-K94 HydrophobicContact CG2-CB 4.44Å
78L96.6Very high93.3Very high2 Ų266.6 Ų66.61%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-97.3125.4167.6-172.462000108.9V27 K29 Q33 Y35 I92 L93 Y95V27-L78 HydrophobicContact CG1-CD2 4.43Å; K29-L78 HydrophobicContact CB-CD1 3.79Å; Q33-L78 HydrophobicContact CB-CD1 4.17Å; Y35-L78 HydrophobicContact CD1-CD1 4.1Å; Y35-L78 HydrophobicContact CE1-CD1 4.12Å; L78-I92 HydrophobicContact CB-CB 4.47Å; L78-I92 HydrophobicContact CD2-CB 4.38Å; L78-I92 HydrophobicContact CD2-CG2 4.22Å; L78-I92 HydrophobicContact CG-CB 4.35Å; L78-I92 PolarHBondContact O-N 3.11Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.39Å; L78-L93 PolarHBondContact N-O 2.86Å; L78-L93 PolarHBondContact O-N 3.05Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å
79V96.8Very high93.8Very high0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-113.7139.4178.5-61.60000110.9Q33 E34 A36 I77 L81 A89 D90Q33-V79 CarbonylContact C-O 3.56Å; Q33-V79 WeakPolarHBondContact CA-O 3.42Å; Q33-V79 WeakPolarHBondContact CB-O 3.34Å; E34-V79 HydrophobicContact CB-CG2 4.27Å; E34-V79 PolarHBondContact N-O 3.44Å; E34-V79 WeakPolarHBondContact O-CG2 3.15Å; E34-V79 PolarHBondContact O-N 3.1Å; A36-V79 HydrophobicContact CB-CG1 3.99Å; A36-V79 HydrophobicContact CB-CG2 4.1Å; I77-V79 HydrophobicContact CD1-CG1 3.63Å; I77-V79 HydrophobicContact CG1-CG1 4.07Å; V79-L81 HydrophobicContact CG2-CD2 4.39Å; V79-A89 HydrophobicContact CB-CB 4.04Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; V79-D90 CarbonylContact C-O 3.59Å; V79-D90 WeakPolarHBondContact CA-O 3.41Å
80G96.8Very high94.1Very high12 Ų1261.5 Ų61.512%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-91.7126.7168.600000109.8A89 D90G80-A89 WeakPolarHBondContact O-CA 3.49Å; G80-A89 VanDerWaalsContact O-CB 3.32Å; G80-A89 WeakPolarHBondContact O-CB 3.42Å; G80-D90 PolarHBondContact N-O 3.29Å; G80-D90 PolarHBondContact O-N 3.03Å
81L95.6Very high94.4Very high56 Ų5651.2 Ų51.229%0.29326%0.26SS..EExtended strand (participates in β ladder)trans-78.3157.7178.5-54.5-175.5000110.7G32 E34 V79 A89G32-L81 WeakPolarHBondContact O-CB 3.48Å; G32-L81 PolarHBondContact O-N 2.88Å; E34-L81 HydrophobicContact CB-CD1 4.42Å; E34-L81 HydrophobicContact CB-CD2 4.29Å; V79-L81 HydrophobicContact CG2-CD2 4.39Å; L81-A89 HydrophobicContact CD2-CB 4.45Å
82R94.3Very high94.5Very high56 Ų5652.9 Ų52.921%0.21127%0.269CS..  trans-111.1122.1172-63.5172.8-179.2-169.13.5108.2Y84 Q85 D90R82-Y84 HydrophobicContact CB-CE1 4.22Å; R82-Y84 HydrophobicContact CB-CE2 4.46Å; R82-Y84 PolarHBondContact O-N 2.95Å; R82-Q85 CarbonylContact O-C 3.53Å; R82-Q85 PolarHBondContact O-N 3.4Å; R82-D90 IonicContact CZ-OD2 3.29Å; R82-D90 IonicContact NE-OD2 2.71Å; R82-D90 PolarHBondContact NE-OD2 3.23Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.87Å; R82-D90 VanDerWaalsContact NH2-OD1 3.07Å; R82-D90 IonicContact NH2-OD2 3.57Å; R82-D90 PolarHBondContact NH2-OD2 3.01Å
83D91.1Very high94.6Very high161 Ų16149.9 Ų49.986%0.86125%0.253SS*.THydrogen-bonded Turntrans-53.7-38.3174.957.3-31.3000113.1
84Y91.3Very high94.7Very high162 Ų16248.9 Ų48.964%0.63524%0.24SC*.THydrogen-bonded Turntrans-90.5-13.1-17860-95.4000115.1R82R82-Y84 HydrophobicContact CB-CE1 4.22Å; R82-Y84 HydrophobicContact CB-CE2 4.46Å; R82-Y84 PolarHBondContact O-N 2.95Å
85Q93.3Very high94.7Very high70 Ų7046.7 Ų46.733%0.32723%0.225SC..  trans-150.783.4-175.4-172.6163.135.100112.1R82 Q87 K88R82-Q85 CarbonylContact O-C 3.53Å; R82-Q85 PolarHBondContact O-N 3.4Å; Q85-Q87 PolarHBondContact O-N 3.37Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å; Q85-K88 HydrophobicContact CG-CB 4.19Å; Q85-K88 HydrophobicContact CG-CD 4.25Å; Q85-K88 HydrophobicContact CG-CG 4.05Å; Q85-K88 VanDerWaalsContact NE2-CE 3.32Å; Q85-K88 PolarHBondContact O-N 3.42Å; Q85-K88 VanDerWaalsContact O-O 3.05Å; Q85-K88 VanDerWaalsContact OE1-CD 3.3Å
86D92.8Very high94.6Very high77 Ų7748 Ų4841%0.41223%0.232SC..THydrogen-bonded Turntrans-59.8-28.1-176.8-17546.3000114.4R57 K88R57-D86 WeakPolarHBondContact CD-O 3.44Å; R57-D86 WeakPolarHBondContact CG-O 3.22Å; R57-D86 IonicContact CZ-OD1 3.51Å; R57-D86 PolarHBondContact NE-O 3.47Å; R57-D86 IonicContact NE-OD1 3.35Å; R57-D86 PolarHBondContact NE-OD1 2.84Å; R57-D86 IonicContact NH2-OD1 3.61Å; R57-D86 PolarHBondContact NH2-OD1 3.31Å; R57-D86 IonicContact NH2-OD2 2.94Å; D86-K88 PolarHBondContact O-N 3.35Å; D86-K88 VanDerWaalsContact O-N 3.12Å
87Q94.7Very high94.3Very high114 Ų11448.3 Ų48.353%0.53324%0.235SC..THydrogen-bonded Turntrans-69.6-7.6177.4-64-63.3-55.200113.9L58 Q85L58-Q87 PolarHBondContact N-O 2.83Å; Q85-Q87 PolarHBondContact O-N 3.37Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å
88K95.6Very high93.9Very high76 Ų7653.1 Ų53.133%0.3326%0.261SS..EExtended strand (participates in β ladder)trans-128146.1-179-63.3-171.8-167.2153.80111L58 Q85 D86L58-K88 HydrophobicContact CB-CG 4.47Å; L58-K88 WeakPolarHBondContact O-CA 3.24Å; Q85-K88 HydrophobicContact CG-CB 4.19Å; Q85-K88 HydrophobicContact CG-CD 4.25Å; Q85-K88 HydrophobicContact CG-CG 4.05Å; Q85-K88 VanDerWaalsContact NE2-CE 3.32Å; Q85-K88 PolarHBondContact O-N 3.42Å; Q85-K88 VanDerWaalsContact O-O 3.05Å; Q85-K88 VanDerWaalsContact OE1-CD 3.3Å; D86-K88 PolarHBondContact O-N 3.35Å; D86-K88 VanDerWaalsContact O-N 3.12Å
89A97Very high93.6Very high0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-143.5169.6176.700000110.7R57 L58 C59 H60 V79 G80 L81R57-A89 HydrophobicContact CB-CB 4.41Å; L58-A89 PolarHBondContact O-N 2.8Å; L58-A89 VanDerWaalsContact O-N 3.1Å; C59-A89 CarbonylContact C-O 3.51Å; C59-A89 VanDerWaalsContact CA-O 3.24Å; C59-A89 WeakPolarHBondContact CA-O 3.48Å; H60-A89 PolarHBondContact N-O 3.34Å; V79-A89 HydrophobicContact CB-CB 4.04Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; G80-A89 WeakPolarHBondContact O-CA 3.49Å; G80-A89 VanDerWaalsContact O-CB 3.32Å; G80-A89 WeakPolarHBondContact O-CB 3.42Å; L81-A89 HydrophobicContact CD2-CB 4.45Å
90D96.3Very high93.3Very high48 Ų4854.1 Ų54.126%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-119.6137.6175.3-68.8-83.1000110.2H60 V79 G80 R82 I92H60-D90 IonicContact CG-OD1 2.69Å; H60-D90 IonicContact ND1-OD1 3.21Å; H60-D90 CarbonylContact O-C 3.51Å; H60-D90 WeakPolarHBondContact O-CA 3.4Å; V79-D90 CarbonylContact C-O 3.59Å; V79-D90 WeakPolarHBondContact CA-O 3.41Å; G80-D90 PolarHBondContact N-O 3.29Å; G80-D90 PolarHBondContact O-N 3.03Å; R82-D90 IonicContact CZ-OD2 3.29Å; R82-D90 IonicContact NE-OD2 2.71Å; R82-D90 PolarHBondContact NE-OD2 3.23Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.87Å; R82-D90 VanDerWaalsContact NH2-OD1 3.07Å; R82-D90 IonicContact NH2-OD2 3.57Å; R82-D90 PolarHBondContact NH2-OD2 3.01Å; D90-I92 PolarHBondContact O-N 2.95Å
91V96.3Very high93Very high0 Ų058.5 Ų58.50%028%0.278CS..EExtended strand (participates in β ladder)trans-78.1123.7179.9-173.40000110L47 C59 H60 I61 R62 L65 I71 I77L47-V91 HydrophobicContact CD2-CG2 4.21Å; C59-V91 HydrophobicContact CB-CG2 3.83Å; H60-V91 PolarHBondContact O-N 3.49Å; I61-V91 HydrophobicContact CG1-CG2 4.36Å; R62-V91 WeakPolarHBondContact CB-O 3.5Å; L65-V91 HydrophobicContact CD1-CG1 4.45Å; L65-V91 VanDerWaalsContact CD1-O 3.27Å; L65-V91 WeakPolarHBondContact CD1-O 3.43Å; I71-V91 HydrophobicContact CD1-CG1 4Å; I77-V91 HydrophobicContact CB-CG1 4.25Å; I77-V91 HydrophobicContact CD1-CG1 4.26Å; I77-V91 HydrophobicContact CD1-CG2 4Å; I77-V91 HydrophobicContact CG2-CG1 4.42Å
92I95.4Very high92.7Very high45 Ų4558.3 Ų58.323%0.23128%0.282CS..EExtended strand (participates in β ladder)trans-96.4-44.8-178-61.9176.4000111.4Q33 L65 L78 D90Q33-I92 HydrophobicContact CG-CD1 3.75Å; L65-I92 VanDerWaalsContact CD1-O 3.29Å; L65-I92 WeakPolarHBondContact CD1-O 3.32Å; L78-I92 HydrophobicContact CB-CB 4.47Å; L78-I92 HydrophobicContact CD2-CB 4.38Å; L78-I92 HydrophobicContact CD2-CG2 4.22Å; L78-I92 HydrophobicContact CG-CB 4.35Å; L78-I92 PolarHBondContact O-N 3.11Å; D90-I92 PolarHBondContact O-N 2.95Å
93L94.4Very high92.6Very high31 Ų3155.6 Ų55.616%0.16227%0.272CS..EExtended strand (participates in β ladder)trans-149.8149.5-174-176.165.2000110.5V27 I77 L78 Y95V27-L93 HydrophobicContact CB-CD2 3.9Å; V27-L93 HydrophobicContact CG1-CD2 4.48Å; V27-L93 HydrophobicContact CG2-CD2 4.17Å; I77-L93 WeakPolarHBondContact CA-O 3.5Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.39Å; L78-L93 PolarHBondContact N-O 2.86Å; L78-L93 PolarHBondContact O-N 3.05Å; L93-Y95 HydrophobicContact CD2-CD1 4.38Å; L93-Y95 HydrophobicContact CD2-CE1 3.88Å
94K93.8Very high92.6Very high39 Ų3951.8 Ų51.817%0.1725%0.247CC..EExtended strand (participates in β ladder)trans-105.2133.3164.3176.8-163.4170.3-175.40108R24 V69 W70 I71 D75 I77R24-K94 PolarHBondContact NH2-O 2.92Å; V69-K94 HydrophobicContact CG1-CB 3.79Å; V69-K94 HydrophobicContact CG1-CD 3.47Å; V69-K94 VanDerWaalsContact CG1-CD 3.47Å; V69-K94 HydrophobicContact CG1-CG 4.25Å; W70-K94 WeakPolarHBondContact O-CD 3.27Å; W70-K94 PolarHBondContact O-NZ 3.39Å; I71-K94 HydrophobicContact CG1-CB 4.5Å; I71-K94 HydrophobicContact CG1-CD 4.48Å; D75-K94 VanDerWaalsContact OD2-CE 3.24Å; D75-K94 WeakPolarHBondContact OD2-CE 3.46Å; D75-K94 IonicContact OD2-NZ 2.63Å; I77-K94 HydrophobicContact CG2-CB 4.44Å
95Y92.9Very high92.5Very high4 Ų448.4 Ų48.42%0.01625%0.252CS..  trans-88.5142171.1-64.4-75.3000110.9L26 V27 Y35 I76 L78 L93 E99 L103L26-Y95 HydrophobicContact CD1-CD1 4.2Å; L26-Y95 HydrophobicContact CD1-CE1 4.15Å; V27-Y95 VanDerWaalsContact O-CE1 3.32Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.25Å; Y35-Y95 AromaticContact CD1-CE2 3.87Å; Y35-Y95 HydrophobicContact CD1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CE2 3.89Å; Y35-Y95 HydrophobicContact CE1-CE2 3.89Å; Y35-Y95 AromaticContact CE1-CZ 3.85Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.21Å; I76-Y95 HydrophobicContact CG2-CD2 3.99Å; I76-Y95 PolarHBondContact O-N 3.47Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å; L93-Y95 HydrophobicContact CD2-CD1 4.38Å; L93-Y95 HydrophobicContact CD2-CE1 3.88Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; Y95-L103 HydrophobicContact CD1-CD1 3.84Å; Y95-L103 HydrophobicContact CD2-CD1 3.99Å; Y95-L103 HydrophobicContact CE1-CD1 3.83Å; Y95-L103 HydrophobicContact CE2-CD1 3.98Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å
96N90.8Very high92.3Very high50 Ų5052.4 Ų52.427%0.26727%0.266SS..  trans-73.3165.7168-68.61.3000110.2D98 E99 A100N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 2.93Å; N96-E99 HydrophobicContact CB-CG 4.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 PolarHBondContact O-N 3.04Å; N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 2.95Å
97A88.4Confident92.2Very high12 Ų1251.6 Ų51.610%0.09928%0.276CS..Hα-helixtrans-58.6-41.1178.900000111.6A100 R101 I115A97-A100 PolarHBondContact O-N 3.45Å; A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.88Å; A97-I115 HydrophobicContact CB-CG2 4.42Å
98D88.1Confident91.9Very high100 Ų10049.7 Ų49.754%0.53527%0.267SS..Hα-helixtrans-63.7-46.5176.9-69.1-12.1000112.3N96 A100 R101 S102N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 2.93Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.84Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-R101 IonicContact OD1-CZ 2.76Å; D98-R101 IonicContact OD1-NH1 3.07Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; D98-S102 PolarHBondContact O-N 2.63Å; D98-S102 PolarHBondContact O-OG 3.02Å
99E90.3Very high91.5Very high23 Ų2346.4 Ų46.411%0.10725%0.253CS..Hα-helixtrans-60.7-39.5176.5-67.3176.1148.700111.1R24 L26 Y95 N96 R101 S102 L103R24-E99 IonicContact CZ-OE1 2.82Å; R24-E99 IonicContact CZ-OE2 3.45Å; R24-E99 IonicContact NE-OE1 3.9Å; R24-E99 PolarHBondContact NE-OE1 3.22Å; R24-E99 IonicContact NE-OE2 2.78Å; R24-E99 IonicContact NH2-OE1 2.75Å; R24-E99 PolarHBondContact NH2-OE1 2.9Å; R24-E99 IonicContact NH2-OE2 3.25Å; R24-E99 PolarHBondContact NH2-OE2 3.26Å; L26-E99 HydrophobicContact CD1-CB 3.7Å; L26-E99 HydrophobicContact CD1-CG 4Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; N96-E99 HydrophobicContact CB-CG 4.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 PolarHBondContact O-N 3.04Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.91Å; E99-S102 WeakPolarHBondContact O-CB 3.42Å; E99-S102 PolarHBondContact O-N 3.33Å; E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3.25Å
100A90.6Very high91Very high1 Ų148.4 Ų48.41%0.00827%0.266CS..Hα-helixtrans-64.4-37.2175.100000112.3I76 N96 A97 D98 L103 K104 I115I76-A100 HydrophobicContact CB-CB 4.23Å; I76-A100 HydrophobicContact CG1-CB 3.95Å; N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 2.95Å; A97-A100 PolarHBondContact O-N 3.45Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.78Å; A100-K104 PolarHBondContact O-N 3.22Å; A100-I115 HydrophobicContact CB-CD1 4Å; A100-I115 HydrophobicContact CB-CG1 4.15Å; A100-I115 HydrophobicContact CB-CG2 3.92Å
101R89.4Confident90.2Very high103 Ų10354.3 Ų54.339%0.38929%0.292SS..Hα-helixtrans-67-40.3173.3-66.7-168.6-152103.1-0.9111.2A97 D98 E99 K104 A105 I115 E117A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.88Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-R101 IonicContact OD1-CZ 2.76Å; D98-R101 IonicContact OD1-NH1 3.07Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.91Å; R101-K104 WeakPolarHBondContact O-CB 3.49Å; R101-K104 PolarHBondContact O-N 3Å; R101-A105 PolarHBondContact O-N 2.66Å; R101-I115 HydrophobicContact CG-CD1 3.98Å; R101-E117 IonicContact CZ-OE1 2.84Å; R101-E117 IonicContact NE-OE1 3.78Å; R101-E117 PolarHBondContact NE-OE1 2.86Å; R101-E117 IonicContact NH2-OE1 3.86Å; R101-E117 PolarHBondContact NH2-OE1 2.97Å
102S90.8Very high89.2Confident52 Ų5261.6 Ų61.636%0.36433%0.326SS..Hα-helixtrans-60.1-47.6173.2-64.20000111.6D98 E99 K104 A105 Y106D98-S102 PolarHBondContact O-N 2.63Å; D98-S102 PolarHBondContact O-OG 3.02Å; E99-S102 WeakPolarHBondContact O-CB 3.42Å; E99-S102 PolarHBondContact O-N 3.33Å; S102-K104 VanDerWaalsContact C-N 3.27Å; S102-K104 PolarHBondContact O-N 2.82Å; S102-A105 WeakPolarHBondContact O-CA 3.47Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.37Å; S102-Y106 WeakPolarHBondContact O-CD2 3.01Å; S102-Y106 PolarHBondContact O-N 2.84Å
103L91.1Very high88.5Confident0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-58.3-38.9176.3-73.8170.4000112.5L26 F28 Y35 Y95 E99 A100 Y106 G107 E108 L109L26-L103 HydrophobicContact CD1-CD2 4.41Å; L26-L103 HydrophobicContact CD1-CG 4.18Å; L26-L103 HydrophobicContact CD2-CD2 4.03Å; L26-L103 HydrophobicContact CD2-CG 4.22Å; L26-L103 HydrophobicContact CG-CD2 4.36Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; Y35-L103 HydrophobicContact CD1-CD1 4.44Å; Y35-L103 HydrophobicContact CE1-CD1 4Å; Y35-L103 HydrophobicContact CE1-CD2 4.09Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.1Å; Y95-L103 HydrophobicContact CD1-CD1 3.84Å; Y95-L103 HydrophobicContact CD2-CD1 3.99Å; Y95-L103 HydrophobicContact CE1-CD1 3.83Å; Y95-L103 HydrophobicContact CE2-CD1 3.98Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å; E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3.25Å; A100-L103 PolarHBondContact O-N 2.78Å; L103-Y106 PolarHBondContact O-N 3.33Å; L103-G107 PolarHBondContact O-N 2.73Å; L103-E108 HydrophobicContact CB-CB 4.46Å; L103-E108 HydrophobicContact CD2-CB 4.16Å; L103-E108 HydrophobicContact CD2-CG 4.28Å; L103-E108 PolarHBondContact O-N 3.49Å; L103-L109 HydrophobicContact CB-CD1 3.7Å; L103-L109 HydrophobicContact CB-CG 3.94Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å
104K90.5Very high87.9Confident81 Ų8166.6 Ų66.635%0.35235%0.346SS..Hα-helixtrans-63.5-42.6173.2-170.1-179.3-173.4173.70111.9A100 R101 S102 Y106 G107 E111 I115A100-K104 PolarHBondContact O-N 3.22Å; R101-K104 WeakPolarHBondContact O-CB 3.49Å; R101-K104 PolarHBondContact O-N 3Å; S102-K104 VanDerWaalsContact C-N 3.27Å; S102-K104 PolarHBondContact O-N 2.82Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.46Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.09Å; K104-E111 WeakPolarHBondContact CE-O 3.4Å; K104-E111 PolarHBondContact NZ-O 2.88Å; K104-I115 HydrophobicContact CD-CD1 4.32Å
105A89.1Confident87.5Confident90 Ų9066.6 Ų66.674%0.74435%0.347SS*.Hα-helixtrans-65.4-32.3177.400000112.7R101 S102 G107R101-A105 PolarHBondContact O-N 2.66Å; S102-A105 WeakPolarHBondContact O-CA 3.47Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.37Å; A105-G107 VanDerWaalsContact C-N 3.25Å; A105-G107 PolarHBondContact O-N 3.15Å
106Y90.5Very high86.8Confident154 Ų15469.4 Ų69.460%0.60436%0.362SS*.THydrogen-bonded Turntrans-76.3-8.8173.2-70.9-64.9000113.9L26 F28 S102 L103 K104 E108L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.85Å; F28-Y106 HydrophobicContact CE1-CD2 4.07Å; F28-Y106 HydrophobicContact CE1-CG 4.23Å; F28-Y106 HydrophobicContact CZ-CD2 4.03Å; F28-Y106 HydrophobicContact CZ-CE2 4.18Å; F28-Y106 HydrophobicContact CZ-CG 4.36Å; S102-Y106 WeakPolarHBondContact O-CD2 3.01Å; S102-Y106 PolarHBondContact O-N 2.84Å; L103-Y106 PolarHBondContact O-N 3.33Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.46Å; Y106-E108 VanDerWaalsContact C-N 3.33Å
107G89.4Confident85.5Confident60 Ų6073.5 Ų73.562%0.61938%0.38SS*.THydrogen-bonded Turntrans8011.6-17900000114.6L103 K104 A105 L109L103-G107 PolarHBondContact O-N 2.73Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.09Å; A105-G107 VanDerWaalsContact C-N 3.25Å; A105-G107 PolarHBondContact O-N 3.15Å; G107-L109 VanDerWaalsContact C-N 3.32Å
108E89.8Confident83.9Confident74 Ų7477.8 Ų77.835%0.34641%0.405SS..SBendtrans-75.1-25.2176.6-69-61.7154.700112.5F28 Y35 L103 Y106F28-E108 HydrophobicContact CD1-CG 4.1Å; F28-E108 HydrophobicContact CE1-CG 4.27Å; Y35-E108 HydrophobicContact CD2-CB 4.48Å; Y35-E108 HydrophobicContact CE2-CB 3.76Å; Y35-E108 HydrophobicContact CE2-CG 4.27Å; L103-E108 HydrophobicContact CB-CB 4.46Å; L103-E108 HydrophobicContact CD2-CB 4.16Å; L103-E108 HydrophobicContact CD2-CG 4.28Å; L103-E108 PolarHBondContact O-N 3.49Å; Y106-E108 VanDerWaalsContact C-N 3.33Å
109L87.4Confident82.1Confident8 Ų876.8 Ų76.84%0.04240%0.4CS..SBendtrans-111.8141177.1-62.3176000110.4Y35 F52 I76 L103 G107 A113Y35-L109 HydrophobicContact CD2-CD2 4.32Å; Y35-L109 HydrophobicContact CG-CD2 4.07Å; F52-L109 HydrophobicContact CD2-CD2 3.71Å; F52-L109 HydrophobicContact CE2-CD2 3.42Å; F52-L109 VanDerWaalsContact CE2-CD2 3.42Å; F52-L109 HydrophobicContact CG-CD2 4.37Å; F52-L109 HydrophobicContact CZ-CD2 3.85Å; I76-L109 HydrophobicContact CG2-CD1 4.23Å; L103-L109 HydrophobicContact CB-CD1 3.7Å; L103-L109 HydrophobicContact CB-CG 3.94Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å; G107-L109 VanDerWaalsContact C-N 3.32Å; L109-A113 HydrophobicContact CB-CB 4.47Å
110P86.2Confident80Confident41 Ų4180.8 Ų80.827%0.26643%0.426SS..  trans-58.1145.6173.1-22.432.4000112.3F52 H112 A113F52-P110 VanDerWaalsContact CD1-CD 3.4Å; F52-P110 HydrophobicContact CD1-CG 3.67Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; P110-H112 WeakPolarHBondContact CB-CE1 3.29Å; P110-H112 WeakPolarHBondContact CB-ND1 3.32Å; P110-H112 PolarHBondContact O-N 3.38Å; P110-A113 VanDerWaalsContact O-CB 3.25Å; P110-A113 WeakPolarHBondContact O-CB 3.44Å; P110-A113 PolarHBondContact O-N 3.49Å
111E78Confident78Confident172 Ų17287.9 Ų87.980%0.80446%0.457SS*.THydrogen-bonded Turntrans-57.5-27.5-178.6-79.5-164.9145.500114K104 A113K104-E111 WeakPolarHBondContact CE-O 3.4Å; K104-E111 PolarHBondContact NZ-O 2.88Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.96Å
112H76.8Confident75.7Confident154 Ų15485.1 Ų85.171%0.71346%0.46SS*.THydrogen-bonded Turntrans-84.40.7-179.264.9-92.5000113.8P110 K114P110-H112 WeakPolarHBondContact CB-CE1 3.29Å; P110-H112 WeakPolarHBondContact CB-ND1 3.32Å; P110-H112 PolarHBondContact O-N 3.38Å; H112-K114 PolarHBondContact O-N 3.17Å
113A80.7Confident73.6Confident9 Ų989.9 Ų89.97%0.07449%0.49CS..  trans-61.8119.9175.300000110F52 L109 P110 E111 I115F52-A113 HydrophobicContact CE1-CB 3.98Å; F52-A113 HydrophobicContact CZ-CB 4.06Å; L109-A113 HydrophobicContact CB-CB 4.47Å; P110-A113 VanDerWaalsContact O-CB 3.25Å; P110-A113 WeakPolarHBondContact O-CB 3.44Å; P110-A113 PolarHBondContact O-N 3.49Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.96Å; A113-I115 PolarHBondContact O-N 2.89Å
114K81.9Confident71.4Confident172 Ų17292.3 Ų92.375%0.74852%0.515SS*.  trans-82.2105.8177.1-67.9-177.2-179.6-176.60108.9Q37 H112Q37-K114 PolarHBondContact NE2-O 2.8Å; H112-K114 PolarHBondContact O-N 3.17Å
115I84.4Confident69.3Low38 Ų3894.8 Ų94.820%0.19553%0.532CS..  trans-85.9128.1176.1-58.2168.6000107.6A97 A100 R101 K104 A113A97-I115 HydrophobicContact CB-CG2 4.42Å; A100-I115 HydrophobicContact CB-CD1 4Å; A100-I115 HydrophobicContact CB-CG1 4.15Å; A100-I115 HydrophobicContact CB-CG2 3.92Å; R101-I115 HydrophobicContact CG-CD1 3.98Å; K104-I115 HydrophobicContact CD-CD1 4.32Å; A113-I115 PolarHBondContact O-N 2.89Å
116N77.7Confident67.4Low63 Ų6396.7 Ų96.734%0.33753%0.53SS..  trans-79.4125.2176.1-167.72000109.5T118N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 2.77Å; N116-T118 PolarHBondContact OD1-N 2.72Å; N116-T118 PolarHBondContact OD1-OG1 2.93Å
117E63.4Low65.3Low137 Ų13797.6 Ų97.664%0.6454%0.54SS*.  trans-95.338.1177.6-60-163.6139.700111.6R101 D119R101-E117 IonicContact CZ-OE1 2.84Å; R101-E117 IonicContact NE-OE1 3.78Å; R101-E117 PolarHBondContact NE-OE1 2.86Å; R101-E117 IonicContact NH2-OE1 3.86Å; R101-E117 PolarHBondContact NH2-OE1 2.97Å; E117-D119 VanDerWaalsContact C-N 3.3Å; E117-D119 PolarHBondContact O-N 2.77Å
118T54.9Low63.4Low101 Ų101101.8 Ų101.862%0.6255%0.548SS*.  trans-95.863.5171.6-49.20000108.7N116N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 2.77Å; N116-T118 PolarHBondContact OD1-N 2.72Å; N116-T118 PolarHBondContact OD1-OG1 2.93Å
119D51.4Low62Low79 Ų79105.8 Ų105.842%0.42257%0.57SS.*  trans-92.8111.5155.8-126.2-22.9000106.1E117 F121E117-D119 VanDerWaalsContact C-N 3.3Å; E117-D119 PolarHBondContact O-N 2.77Å; D119-F121 PolarHBondContact O-N 3.33Å
120T46.8Very low60.5Low108 Ų108113.2 Ų113.266%0.66361%0.605SS**SBendtrans-66.514.5176.2-38.90000112.2
121F47.8Very low58.9Low149 Ų149119.9 Ų119.965%0.65463%0.63SS**  trans-127.275.5179-65.7-82.5000108.1D119D119-F121 PolarHBondContact O-N 3.33Å
122G42Very low57.6Low45 Ų45117.8 Ų117.846%0.46462%0.624SS.*  trans-60.2151.6145.700000108.2G124G122-G124 PolarHBondContact O-N 3.43Å
123P45.8Very low56.6Low153 Ų153117.9 Ų117.999%0.99463%0.63SS**THydrogen-bonded Turntrans-68.436.117629.8-35.4000113.4
124G44Very low55.4Low51 Ų51124.2 Ų124.253%0.52666%0.661SS.*THydrogen-bonded Turntrans-126.8-8.9-172.100000116G122G122-G124 PolarHBondContact O-N 3.43Å
125D46.8Very low53.9Low132 Ų132118.2 Ų118.271%0.70665%0.648SS**SBendtrans-113.710.6-174.5-65.4-9.1000113.8
126D49.5Very low52.5Low131 Ų131124 Ų12470%0.70168%0.679SS**  trans-92.440159.6-77.3-28.5000109.7D128D126-D128 PolarHBondContact O-N 3.2Å
127E47.4Very low51.2Low173 Ų173127.6 Ų127.681%0.80870%0.699SS**  trans-67.796.6150.6-80.4-167.4179.900105.7I129E127-I129 PolarHBondContact O-N 2.69Å
128D49.3Very low50.8Low147 Ų147128.5 Ų128.579%0.78671%0.708SS**  trans-40.4105.1168.5-72.6-54.5000108.6D126 Q130D126-D128 PolarHBondContact O-N 3.2Å; D128-Q130 PolarHBondContact O-N 3.29Å
129I59.4Low50.8Low158 Ų158131.6 Ų131.681%0.8172%0.715SS**  trans-68.184.4160.8-56.9175.8000104.5E127 F131E127-I129 PolarHBondContact O-N 2.69Å; I129-F131 VanDerWaalsContact C-N 3.27Å; I129-F131 PolarHBondContact O-N 2.81Å
130Q55.3Low51Low165 Ų165135 Ų13577%0.77173%0.733SS**  trans-6498.9167.2-165.91717.800104.6D128 D132D128-Q130 PolarHBondContact O-N 3.29Å; Q130-D132 PolarHBondContact O-N 3.47Å
131F53.2Low51.3Low181 Ų181137.6 Ų137.679%0.79474%0.742SS**  trans-64.793.1168.4-145.3-88.8000104.7I129 D133I129-F131 VanDerWaalsContact C-N 3.27Å; I129-F131 PolarHBondContact O-N 2.81Å; F131-D133 PolarHBondContact O-N 3.42Å
132D51.8Low51.6Low128 Ų128137.3 Ų137.368%0.68475%0.747SS**  trans-55.1130.8167.9-126.3-2.8000105.4Q130 I134Q130-D132 PolarHBondContact O-N 3.47Å; D132-I134 PolarHBondContact O-N 2.94Å
133D54.1Low52.1Low155 Ų155142.5 Ų142.583%0.82976%0.764SS**  trans-63.683.6177.6-166.232000106.3F131 G135F131-D133 PolarHBondContact O-N 3.42Å; D133-G135 PolarHBondContact O-N 2.92Å
134I55.7Low52Low142 Ų142146.9 Ų146.973%0.72878%0.777SS**  trans-60.897.1167.5-73.2174.5000103.7D132D132-I134 PolarHBondContact O-N 2.94Å
135G50.8Low52.4Low46 Ų46151.7 Ų151.747%0.47479%0.789SS.*  trans-48.7144.1166.300000108.6D133 D137D133-G135 PolarHBondContact O-N 2.92Å; G135-D137 PolarHBondContact O-N 3.4Å
136D54.7Low52.7Low159 Ų159152.7 Ų152.785%0.8579%0.794SS**SBendtrans-60.258.8179.4-151.520.2000112.1
137D51Low52.9Low140 Ų140153.9 Ų153.975%0.74980%0.799SS**  trans-110.282164.5-84.9-20.1000107.2G135 E139G135-D137 PolarHBondContact O-N 3.4Å; D137-E139 PolarHBondContact O-N 2.87Å
138D54.5Low53.2Low155 Ų155152.8 Ų152.883%0.82980%0.798SS**  trans-58.683.1153.2-80.5-37.7000107.6
139E54.8Low53.4Low166 Ų166153.2 Ų153.278%0.77680%0.799SS**  trans-91.5106.3155.7-80.9-165-168.800108.3D137 I141D137-E139 PolarHBondContact O-N 2.87Å; E139-I141 PolarHBondContact O-N 2.72Å
140D55.8Low53Low151 Ų151152.9 Ų152.981%0.80780%0.798SS**  trans-22.3105.6169.2-57.4-54.3000114.6D142D140-D142 PolarHBondContact O-N 2.78Å
141I54.4Low52.9Low163 Ų163152 Ų15284%0.83680%0.8SS**  trans-91.787.1157.1-64.8174.1000107E139E139-I141 PolarHBondContact O-N 2.72Å
142D53.5Low52.8Low142 Ų142149.8 Ų149.876%0.75980%0.801SS**  trans-77.8138151.1-82-31.5000108.7D140D140-D142 PolarHBondContact O-N 2.78Å
143D52.6Low52.9Low155 Ų155151.6 Ų151.683%0.82981%0.81SS**  trans72.8100.5170.6-66.6-28.6000119.4
144I43.2Very low52.8Low245 Ų245151.3 Ų151.3100%1.25681%0.809SS**  -165.40103.6-145152.2000113.5

Retrieved 144 of 144 residues in 84.3 ms (Link to these results)