A0A087X8U6_POEFO Loading...

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 (A0A4W6G2A5), UniProt , Accession A0A087X8U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M50.2Low55Low234 Ų234152.1 Ų152.1100%1.15382%0.821SS**  0118.70-79.4176.7170.400108.6K3M1-K3 PolarHBondContact O-N 2.93Å
2P52.1Low55Low132 Ų132151.7 Ų151.786%0.85780%0.798SS**  trans-73.9121.6-179.5-3.219.8000109.3N4P2-N4 PolarHBondContact O-N 3.38Å
3K52.5Low55.6Low205 Ų205157.8 Ų157.889%0.89180%0.804SS**  trans-76.2116.3172.3-81.2-179.4177.4173.60108.3M1 K5M1-K3 PolarHBondContact O-N 2.93Å; K3-K5 PolarHBondContact O-N 3.44Å
4N50.7Low55.9Low162 Ų162165.3 Ų165.387%0.86682%0.817SS**  trans-55.3105.3172-103.822000110.2P2 G6P2-N4 PolarHBondContact O-N 3.38Å; N4-G6 PolarHBondContact O-N 3.47Å
5K53.5Low56.1Low213 Ų213158.4 Ų158.493%0.92681%0.806SS**  trans-76.559.5168.3-127.8177.1-172.9179.50108.5K3 K7K3-K5 PolarHBondContact O-N 3.44Å; K5-K7 PolarHBondContact O-N 3.1Å
6G57.4Low56.2Low56 Ų56159.4 Ų159.458%0.57780%0.803SS**  trans-65.2130.1177.100000110.3N4 G8N4-G6 PolarHBondContact O-N 3.47Å; G6-G8 PolarHBondContact O-N 3.23Å
7K56.5Low56Low177 Ų177159.8 Ų159.877%0.7781%0.807SS**SBendtrans-68.467.5172.3-82.7-171.9169.2171.80110.7K5 R12K5-K7 PolarHBondContact O-N 3.1Å; K7-R12 VanDerWaalsContact CB-NH1 3.29Å; K7-R12 VanDerWaalsContact CD-NH2 3.31Å; K7-R12 VanDerWaalsContact CG-NH2 3.28Å; K7-R12 WeakPolarHBondContact O-CD 3.4Å
8G60.3Low56Low63 Ų63156.5 Ų156.565%0.64979%0.789SS**  trans-178.865.2-173.500000114.6G6G6-G8 PolarHBondContact O-N 3.23Å
9G60.2Low56Low51 Ų51153.1 Ų153.153%0.52677%0.773SS.*  trans-90.7156.8166.800000111.3N11 R12G9-N11 PolarHBondContact O-N 2.89Å; G9-R12 VanDerWaalsContact O-CB 3.29Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.1Å
10K58Low55.9Low222 Ų222150.5 Ų150.597%0.96576%0.758SS**THydrogen-bonded Turntrans-56.4-9.8175.2-70.7177179.3174.20114.4
11N53.3Low55.9Low158 Ų158148.6 Ų148.685%0.84576%0.759SS**THydrogen-bonded Turntrans-103.86.2175.2-63.9-5.6000113.6G9 R13G9-N11 PolarHBondContact O-N 2.89Å; N11-R13 PolarHBondContact O-N 2.73Å
12R55.6Low56.4Low147 Ų147143.6 Ų143.656%0.55573%0.733SS**SBendtrans-77.177.8177.3-154179.8-175.3102.52.7109.1K7 G9K7-R12 VanDerWaalsContact CB-NH1 3.29Å; K7-R12 VanDerWaalsContact CD-NH2 3.31Å; K7-R12 VanDerWaalsContact CG-NH2 3.28Å; K7-R12 WeakPolarHBondContact O-CD 3.4Å; G9-R12 VanDerWaalsContact O-CB 3.29Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.1Å
13R61.8Low57Low232 Ų232147.5 Ų147.588%0.87574%0.736SS**  trans33.190.5154.3-67.7-179.8175.3175.3-2.8115N11 G15N11-R13 PolarHBondContact O-N 2.73Å; R13-G15 PolarHBondContact O-N 3.02Å
14R60.9Low58.2Low262 Ų262143.9 Ų143.999%0.98972%0.717SS**  trans-75.766.4147.5-84.3-177.6171.5169.9-2.5109
15G58.2Low59.8Low62 Ų62144.8 Ų144.864%0.63972%0.716SS**  trans-93.398161.100000106.6R13 N17R13-G15 PolarHBondContact O-N 3.02Å; G15-N17 VanDerWaalsContact C-N 3.29Å; G15-N17 PolarHBondContact O-N 2.95Å; G15-N17 VanDerWaalsContact O-N 3.11Å
16K58.2Low61.4Low175 Ų175136.5 Ų136.576%0.76168%0.681SS**  trans-76.496.9165.1-147.2-176.1-176.4-157.60104.1E18K16-E18 IonicContact NZ-OE1 3.6Å; K16-E18 PolarHBondContact O-N 3.47Å
17N51.9Low63.1Low165 Ų165137.1 Ų137.188%0.88267%0.674SS**  trans-70.681.8176.8-150.921.3000106.5G15 N19G15-N17 VanDerWaalsContact C-N 3.29Å; G15-N17 PolarHBondContact O-N 2.95Å; G15-N17 VanDerWaalsContact O-N 3.11Å; N17-N19 PolarHBondContact O-N 3.31Å
18E56.9Low64.8Low101 Ų101132.7 Ų132.747%0.47266%0.655SS.*  trans-78.1114.6167.3-78.4178.4-176.500105.1K16 E20 K68K16-E18 IonicContact NZ-OE1 3.6Å; K16-E18 PolarHBondContact O-N 3.47Å; E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 2.96Å; E18-K68 IonicContact OE2-NZ 2.59Å; E18-K68 PolarHBondContact OE2-NZ 2.84Å
19N55.7Low66.4Low92 Ų92133.3 Ų133.349%0.49264%0.64SS.*  trans-55.190.9-174.6-154.93.2000109.7N17 S21 E22N17-N19 PolarHBondContact O-N 3.31Å; N19-S21 PolarHBondContact O-N 3.15Å; N19-E22 PolarHBondContact ND2-OE1 3.3Å
20E54.9Low68.1Low101 Ų101137.3 Ų137.347%0.47265%0.645SS.*THydrogen-bonded Turntrans-66.7-22179.4177.6117-116.800110.6E18 R24E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 2.96Å; E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 PolarHBondContact O-NH2 2.75Å; E20-R24 IonicContact OE1-CZ 3.15Å; E20-R24 IonicContact OE1-NH1 3.69Å; E20-R24 IonicContact OE1-NH2 2.64Å; E20-R24 PolarHBondContact OE1-NH2 2.96Å
21S55.8Low69.7Low111 Ų111134.9 Ų134.978%0.77664%0.642SS**THydrogen-bonded Turntrans-84.7-7.8-175.4-55.30000115.4N19 K23N19-S21 PolarHBondContact O-N 3.15Å; S21-K23 PolarHBondContact O-N 3.06Å
22E59.7Low71.6Confident129 Ų129129.2 Ų129.260%0.60362%0.621SS**SBendtrans-72.2122.5171-89.4170.3-149.700109.4N19 R24N19-E22 PolarHBondContact ND2-OE1 3.3Å; E22-R24 WeakPolarHBondContact O-CG 3.02Å; E22-R24 PolarHBondContact O-N 3.03Å
23K65.8Low73.5Confident214 Ų214124 Ų12493%0.9360%0.603SS**  trans-53.1105.5175.1-75.9-179.5178.41790109.2S21S21-K23 PolarHBondContact O-N 3.06Å
24R76.9Confident75.1Confident129 Ų129114.3 Ų114.349%0.48757%0.568SS.*PPolyproline II helixtrans-82.9157.8179.6-41.9-177.2-158.2167.111.3108.6E20 E22 L26E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 PolarHBondContact O-NH2 2.75Å; E20-R24 IonicContact OE1-CZ 3.15Å; E20-R24 IonicContact OE1-NH1 3.69Å; E20-R24 IonicContact OE1-NH2 2.64Å; E20-R24 PolarHBondContact OE1-NH2 2.96Å; E22-R24 WeakPolarHBondContact O-CG 3.02Å; E22-R24 PolarHBondContact O-N 3.03Å; R24-L26 PolarHBondContact O-N 3.45Å
25E83.8Confident76.8Confident180 Ų180101.9 Ų101.984%0.84152%0.521SS*.PPolyproline II helixtrans-64.8134.6171.6-67.1-179.5172.100110V27E25-V27 PolarHBondContact O-N 3.02Å
26L88.1Confident78.6Confident39 Ų3998.9 Ų98.920%0.20449%0.49CS..PPolyproline II helixtrans-64121.8176.7-176.667.4000109.1R24 F28 Y95 E99 L103 Y106R24-L26 PolarHBondContact O-N 3.45Å; L26-F28 HydrophobicContact CD2-CE1 4.15Å; L26-F28 HydrophobicContact CD2-CE2 4.42Å; L26-F28 HydrophobicContact CD2-CZ 3.85Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; L26-Y95 HydrophobicContact CD1-CD1 4.27Å; L26-Y95 HydrophobicContact CD1-CE1 4.29Å; L26-E99 HydrophobicContact CD1-CB 3.66Å; L26-E99 HydrophobicContact CD1-CG 3.94Å; L26-L103 HydrophobicContact CD1-CD2 4.44Å; L26-L103 HydrophobicContact CD1-CG 4.2Å; L26-L103 HydrophobicContact CD2-CD2 4.1Å; L26-L103 HydrophobicContact CD2-CG 4.28Å; L26-L103 HydrophobicContact CG-CD2 4.42Å; L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.84Å
27V92.3Very high80.3Confident69 Ų6992.7 Ų92.742%0.41846%0.464SS..PPolyproline II helixtrans-88.5127.5177.7-178.50000109.1E25 L78 L93 Y95E25-V27 PolarHBondContact O-N 3.02Å; V27-L78 HydrophobicContact CG1-CD2 4.39Å; V27-L93 HydrophobicContact CB-CD2 3.88Å; V27-L93 HydrophobicContact CG1-CD2 4.47Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.19Å
28F93.5Very high82.4Confident85 Ų8584.9 Ų84.937%0.37342%0.423SS..PPolyproline II helixtrans-92.7159.9173.4-65.9-85.4000111L26 Y35 L103 Y106 E108L26-F28 HydrophobicContact CD2-CE1 4.15Å; L26-F28 HydrophobicContact CD2-CE2 4.42Å; L26-F28 HydrophobicContact CD2-CZ 3.85Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; F28-Y35 WeakPolarHBondContact CA-OH 3.5Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; F28-Y106 HydrophobicContact CE1-CD2 4.04Å; F28-Y106 HydrophobicContact CE1-CG 4.2Å; F28-Y106 AromaticContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CE2 4.13Å; F28-Y106 HydrophobicContact CZ-CG 4.33Å; F28-E108 HydrophobicContact CD1-CG 4.16Å; F28-E108 HydrophobicContact CE1-CG 4.34Å
29K93.9Very high84.2Confident75 Ų7583.4 Ų83.433%0.32642%0.417SS..PPolyproline II helixtrans-66.9145173.767.9172.6172179.20110.7Q33 E34 Y35 L78K29-Q33 HydrophobicContact CB-CB 4.43Å; K29-E34 VanDerWaalsContact NZ-CD 3.3Å; K29-E34 IonicContact NZ-OE1 2.73Å; K29-E34 PolarHBondContact NZ-OE1 3.42Å; K29-E34 IonicContact NZ-OE2 3.1Å; K29-E34 PolarHBondContact NZ-OE2 3.48Å; K29-E34 VanDerWaalsContact NZ-OE2 3.1Å; K29-Y35 HydrophobicContact CB-CD2 4.36Å; K29-Y35 HydrophobicContact CB-CE1 4.3Å; K29-Y35 HydrophobicContact CB-CE2 3.8Å; K29-Y35 HydrophobicContact CD-CD2 3.65Å; K29-Y35 HydrophobicContact CD-CE2 3.44Å; K29-Y35 VanDerWaalsContact CD-CE2 3.44Å; K29-Y35 HydrophobicContact CG-CD2 4.13Å; K29-Y35 HydrophobicContact CG-CE2 3.43Å; K29-Y35 VanDerWaalsContact CG-CE2 3.43Å; K29-Y35 PolarHBondContact N-OH 3.32Å; K29-L78 HydrophobicContact CB-CD1 3.8Å
30E95.1Very high86.1Confident135 Ų13583.8 Ų83.863%0.63141%0.414SS*.  trans-110.7177.3172.6-62.2177.7156.300110.5G32 Q33E30-G32 PolarHBondContact O-N 2.97Å; E30-Q33 WeakPolarHBondContact O-CB 3.43Å; E30-Q33 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact OE2-NE2 3.26Å
31D91.9Very high88Confident171 Ų17183 Ų8391%0.91441%0.411SS*.THydrogen-bonded Turntrans-59.4138.2174.1-170.233.5000111.5Q33D31-Q33 PolarHBondContact O-N 2.97Å
32G93Very high89.9Confident39 Ų3981.4 Ų81.440%0.40239%0.394SS..THydrogen-bonded Turntrans72.111.2-171.700000115E30 L81E30-G32 PolarHBondContact O-N 2.97Å; G32-L81 WeakPolarHBondContact O-CB 3.13Å; G32-L81 PolarHBondContact O-N 3.02Å
33Q95.9Very high91.5Very high37 Ų3777.3 Ų77.317%0.17339%0.386CS..EExtended strand (participates in β ladder)trans-122.1154.5173.4-53.3175.81200110.7K29 E30 D31 L78 V79 I92K29-Q33 HydrophobicContact CB-CB 4.43Å; E30-Q33 WeakPolarHBondContact O-CB 3.43Å; E30-Q33 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact OE2-NE2 3.26Å; D31-Q33 PolarHBondContact O-N 2.97Å; Q33-L78 HydrophobicContact CB-CD1 4.14Å; Q33-V79 CarbonylContact C-O 3.53Å; Q33-V79 VanDerWaalsContact CA-O 3.22Å; Q33-V79 WeakPolarHBondContact CA-O 3.28Å; Q33-V79 WeakPolarHBondContact CB-O 3.22Å; Q33-I92 HydrophobicContact CG-CD1 3.8Å
34E95.3Very high92.8Very high30 Ų3073 Ų7314%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-144.2153.1176.5-166.150.1-90.300110.9K29 C51 D53 V79 L81K29-E34 VanDerWaalsContact NZ-CD 3.3Å; K29-E34 IonicContact NZ-OE1 2.73Å; K29-E34 PolarHBondContact NZ-OE1 3.42Å; K29-E34 IonicContact NZ-OE2 3.1Å; K29-E34 PolarHBondContact NZ-OE2 3.48Å; K29-E34 VanDerWaalsContact NZ-OE2 3.1Å; E34-C51 HydrophobicContact CG-CB 4.41Å; E34-D53 HydrophobicContact CG-CB 4.34Å; E34-V79 HydrophobicContact CB-CG2 4.23Å; E34-V79 PolarHBondContact N-O 2.85Å; E34-V79 WeakPolarHBondContact O-CG2 3.27Å; E34-V79 PolarHBondContact O-N 3.25Å; E34-L81 HydrophobicContact CB-CD1 4.45Å; E34-L81 HydrophobicContact CB-CD2 4.23Å; E34-L81 HydrophobicContact CB-CG 4.48Å
35Y95.7Very high93.5Very high0 Ų067.7 Ų67.70%036%0.359CS..EExtended strand (participates in β ladder)trans-77145.3170.6-61-70.6000109.9F28 K29 C51 F52 L78 Y95 L103 E108 L109F28-Y35 WeakPolarHBondContact CA-OH 3.5Å; K29-Y35 HydrophobicContact CB-CD2 4.36Å; K29-Y35 HydrophobicContact CB-CE1 4.3Å; K29-Y35 HydrophobicContact CB-CE2 3.8Å; K29-Y35 HydrophobicContact CD-CD2 3.65Å; K29-Y35 HydrophobicContact CD-CE2 3.44Å; K29-Y35 VanDerWaalsContact CD-CE2 3.44Å; K29-Y35 HydrophobicContact CG-CD2 4.13Å; K29-Y35 HydrophobicContact CG-CE2 3.43Å; K29-Y35 VanDerWaalsContact CG-CE2 3.43Å; K29-Y35 PolarHBondContact N-OH 3.32Å; Y35-C51 WeakPolarHBondContact O-CA 2.98Å; Y35-F52 WeakPolarHBondContact O-CD2 3.21Å; Y35-F52 PolarHBondContact O-N 2.74Å; Y35-L78 HydrophobicContact CD1-CD1 4.19Å; Y35-L78 HydrophobicContact CE1-CD1 4.24Å; Y35-Y95 AromaticContact CD1-CE2 3.81Å; Y35-Y95 HydrophobicContact CD1-CE2 3.81Å; Y35-Y95 AromaticContact CE1-CE2 3.87Å; Y35-Y95 HydrophobicContact CE1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CZ 3.8Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; Y35-L103 HydrophobicContact CD1-CD1 4.35Å; Y35-L103 HydrophobicContact CE1-CD1 3.9Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.49Å; Y35-E108 HydrophobicContact CD2-CB 4.49Å; Y35-E108 HydrophobicContact CE2-CB 3.78Å; Y35-E108 HydrophobicContact CE2-CG 4.25Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.44Å; Y35-L109 HydrophobicContact CD2-CD2 4.42Å; Y35-L109 HydrophobicContact CG-CD2 4.1Å
36A95.7Very high94.1Very high0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-145.8155.4175.100000112.3A49 M50 C51 I77 V79A36-A49 HydrophobicContact CB-CB 3.85Å; A36-M50 CarbonylContact C-O 3.6Å; A36-M50 VanDerWaalsContact CA-O 3.24Å; A36-M50 WeakPolarHBondContact CA-O 3.48Å; A36-M50 WeakPolarHBondContact CB-O 3.43Å; A36-C51 HydrophobicContact CB-CB 4.34Å; A36-I77 HydrophobicContact CB-CD1 4.47Å; A36-I77 HydrophobicContact CB-CG1 4.06Å; A36-I77 PolarHBondContact N-O 2.99Å; A36-I77 WeakPolarHBondContact O-CG1 3.49Å; A36-I77 PolarHBondContact O-N 2.88Å; A36-V79 HydrophobicContact CB-CG1 3.97Å; A36-V79 HydrophobicContact CB-CG2 4.08Å
37Q94.8Very high94.5Very high44 Ų4462.2 Ų62.221%0.20633%0.327CS..EExtended strand (participates in β ladder)trans-107.3132.3169.8179.3165.752.900110.4I39 A49 M50 F52 S74 D75 I76 K114Q37-I39 PolarHBondContact O-N 2.83Å; Q37-A49 CarbonylContact O-C 3.56Å; Q37-A49 VanDerWaalsContact O-CA 3.23Å; Q37-A49 WeakPolarHBondContact O-CA 3.37Å; Q37-A49 WeakPolarHBondContact O-CB 3.43Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 3.41Å; Q37-F52 HydrophobicContact CB-CZ 4.35Å; Q37-S74 PolarHBondContact NE2-O 2.84Å; Q37-S74 VanDerWaalsContact NE2-O 3.09Å; Q37-D75 WeakPolarHBondContact CA-O 3.47Å; Q37-I76 HydrophobicContact CB-CD1 4.01Å; Q37-I76 HydrophobicContact CG-CD1 4.16Å; Q37-K114 PolarHBondContact NE2-O 3.23Å
38V95.4Very high94.7Very high2 Ų260.7 Ų60.71%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-69.6122.7177.3-177.90000110.2M41 L47 I71 N72 S74 D75 I77V38-M41 HydrophobicContact CG1-SD 4.18Å; V38-L47 HydrophobicContact CG1-CB 4.42Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.43Å; V38-L47 HydrophobicContact CG2-CD1 4.13Å; V38-L47 HydrophobicContact CG2-CD2 4.18Å; V38-I71 HydrophobicContact CG2-CG2 3.8Å; V38-N72 WeakPolarHBondContact CB-O 3.24Å; V38-N72 WeakPolarHBondContact CG1-O 3.44Å; V38-S74 WeakPolarHBondContact O-CA 3.22Å; V38-S74 PolarHBondContact O-N 2.67Å; V38-D75 HydrophobicContact CG2-CB 4.37Å; V38-D75 PolarHBondContact N-O 2.77Å; V38-I77 HydrophobicContact CG2-CD1 3.88Å; V38-I77 HydrophobicContact CG2-CG1 4.2Å; V38-I77 HydrophobicContact CG2-CG2 4.03Å
39I95.1Very high94.9Very high69 Ų6956.6 Ų56.635%0.35430%0.298SS..EExtended strand (participates in β ladder)trans-87.5-55.5174.5-61.7163000109.8Q37 E48 M50 K56Q37-I39 PolarHBondContact O-N 2.83Å; I39-E48 HydrophobicContact CD1-CG 4.24Å; I39-E48 PolarHBondContact N-O 3.23Å; I39-M50 HydrophobicContact CD1-CB 3.82Å; I39-M50 HydrophobicContact CG1-CB 4.02Å; I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.12Å
40K95.3Very high94.9Very high100 Ų10056.1 Ų56.144%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-149.4148.4-175.467.9-179.6-159.6-133.30112.4L42 L47 E48K40-L42 HydrophobicContact CD-CD2 4.27Å; K40-L42 HydrophobicContact CG-CD2 4.28Å; K40-L47 WeakPolarHBondContact O-CA 3.46Å; K40-E48 VanDerWaalsContact CD-OE2 3.31Å; K40-E48 WeakPolarHBondContact CD-OE2 3.37Å; K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 HydrophobicContact CG-CB 3.79Å; K40-E48 WeakPolarHBondContact CG-OE2 3.41Å; K40-E48 PolarHBondContact N-O 2.97Å; K40-E48 IonicContact NZ-OE2 2.62Å; K40-E48 PolarHBondContact NZ-OE2 2.99Å; K40-E48 PolarHBondContact O-N 3.23Å
41M95.4Very high94.9Very high84 Ų8449.7 Ų49.741%0.41427%0.268SS..EExtended strand (participates in β ladder)trans-85.2131.8172.4-62.3-61.2-81.100109.8V38 L47 I61 I71 T73V38-M41 HydrophobicContact CG1-SD 4.18Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.11Å; M41-I61 HydrophobicContact CE-CD1 4.16Å; M41-I71 VanDerWaalsContact CE-O 3.3Å; M41-I71 WeakPolarHBondContact CE-O 3.36Å; M41-T73 HydrophobicContact CG-CG2 4.3Å
42L94.6Very high94.9Very high79 Ų7944.2 Ų44.241%0.41424%0.236SC..EExtended strand (participates in β ladder)trans-102-8.2-178.9-63.7175.5000113K40 R46 E48 L58K40-L42 HydrophobicContact CD-CD2 4.27Å; K40-L42 HydrophobicContact CG-CD2 4.28Å; L42-R46 HydrophobicContact CB-CB 4.14Å; L42-R46 WeakPolarHBondContact CB-O 3.37Å; L42-R46 PolarHBondContact N-O 3Å; L42-E48 HydrophobicContact CD1-CB 4.44Å; L42-L58 HydrophobicContact CD1-CD1 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.54Å; L42-L58 HydrophobicContact CD1-CG 3.83Å
43G93.6Very high94.8Very high42 Ų4245.5 Ų45.543%0.43323%0.233SC..EExtended strand (participates in β ladder)trans80.6174.9-174.700000113.3G45 R46G43-G45 PolarHBondContact O-N 3.32Å; G43-R46 PolarHBondContact N-O 3.37Å; G43-R46 PolarHBondContact O-N 3.45Å
44N93.1Very high94.5Very high125 Ų12546 Ų4667%0.66825%0.249SC*.THydrogen-bonded Turntrans50.930.4-173.5-164.612000113.2R46 R66N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact ND2-NH1 2.91Å; N44-R46 PolarHBondContact O-N 3.32Å; N44-R66 PolarHBondContact O-NH1 2.81Å; N44-R66 VanDerWaalsContact O-NH1 3.17Å; N44-R66 PolarHBondContact O-NH2 3.34Å
45G92.4Very high94.4Very high17 Ų1746.9 Ų46.918%0.17526%0.256CS..THydrogen-bonded Turntrans54.539.4-171.500000115G43 I61 R66G43-G45 PolarHBondContact O-N 3.32Å; G45-I61 WeakPolarHBondContact O-CB 3.29Å; G45-I61 WeakPolarHBondContact O-CG1 3.14Å; G45-I61 PolarHBondContact O-N 2.86Å; G45-R66 VanDerWaalsContact CA-CZ 3.46Å; G45-R66 VanDerWaalsContact CA-NH2 3.34Å; G45-R66 PolarHBondContact O-NH2 3.03Å
46R95.7Very high94.5Very high103 Ų10353 Ų5339%0.38928%0.283SS..EExtended strand (participates in β ladder)trans-110.9151.5162.7-65.4-180-179.681.9-0.9109.4L42 G43 N44 L58 C59L42-R46 HydrophobicContact CB-CB 4.14Å; L42-R46 WeakPolarHBondContact CB-O 3.37Å; L42-R46 PolarHBondContact N-O 3Å; G43-R46 PolarHBondContact N-O 3.37Å; G43-R46 PolarHBondContact O-N 3.45Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact ND2-NH1 2.91Å; N44-R46 PolarHBondContact O-N 3.32Å; R46-L58 HydrophobicContact CB-CD2 4.43Å; R46-C59 WeakPolarHBondContact CA-O 3.44Å
47L96.8Very high94.5Very high0 Ų053.3 Ų53.30%028%0.284CS..EExtended strand (participates in β ladder)trans-144.1160.517563.685.1000109.8V38 K40 M41 A49 C59 I61 I71 I77 V91V38-L47 HydrophobicContact CG1-CB 4.42Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.43Å; V38-L47 HydrophobicContact CG2-CD1 4.13Å; V38-L47 HydrophobicContact CG2-CD2 4.18Å; K40-L47 WeakPolarHBondContact O-CA 3.46Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.11Å; L47-A49 HydrophobicContact CD1-CB 3.75Å; L47-C59 HydrophobicContact CD1-CB 3.58Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.89Å; L47-C59 PolarHBondContact O-N 2.64Å; L47-I61 HydrophobicContact CD2-CD1 4.16Å; L47-I61 HydrophobicContact CD2-CG1 3.98Å; L47-I71 HydrophobicContact CD2-CG2 3.91Å; L47-I77 HydrophobicContact CD1-CD1 4.07Å; L47-V91 HydrophobicContact CD2-CG2 4.19Å
48E97Very high94.6Very high37 Ų3755.1 Ų55.117%0.17330%0.295CS..EExtended strand (participates in β ladder)trans-101.6128.7168.6-173.4-179.8-178.200108.2I39 K40 L42I39-E48 HydrophobicContact CD1-CG 4.24Å; I39-E48 PolarHBondContact N-O 3.23Å; K40-E48 VanDerWaalsContact CD-OE2 3.31Å; K40-E48 WeakPolarHBondContact CD-OE2 3.37Å; K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 HydrophobicContact CG-CB 3.79Å; K40-E48 WeakPolarHBondContact CG-OE2 3.41Å; K40-E48 PolarHBondContact N-O 2.97Å; K40-E48 IonicContact NZ-OE2 2.62Å; K40-E48 PolarHBondContact NZ-OE2 2.99Å; K40-E48 PolarHBondContact O-N 3.23Å; L42-E48 HydrophobicContact CD1-CB 4.44Å
49A96.5Very high94.6Very high0 Ų055.1 Ų55.10%030%0.295CS..EExtended strand (participates in β ladder)trans-125.9141.6178.200000111.1A36 Q37 L47 K56 R57 I77A36-A49 HydrophobicContact CB-CB 3.85Å; Q37-A49 CarbonylContact O-C 3.56Å; Q37-A49 VanDerWaalsContact O-CA 3.23Å; Q37-A49 WeakPolarHBondContact O-CA 3.37Å; Q37-A49 WeakPolarHBondContact O-CB 3.43Å; L47-A49 HydrophobicContact CD1-CB 3.75Å; A49-K56 WeakPolarHBondContact O-CA 3.33Å; A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 PolarHBondContact O-N 3.3Å; A49-I77 HydrophobicContact CB-CD1 4.15Å
50M95.6Very high94.7Very high64 Ų6454.6 Ų54.632%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-84.9109.7167.6-169.470.1-171.100107.7A36 Q37 I39 G54 K56A36-M50 CarbonylContact C-O 3.6Å; A36-M50 VanDerWaalsContact CA-O 3.24Å; A36-M50 WeakPolarHBondContact CA-O 3.48Å; A36-M50 WeakPolarHBondContact CB-O 3.43Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 3.41Å; I39-M50 HydrophobicContact CD1-CB 3.82Å; I39-M50 HydrophobicContact CG1-CB 4.02Å; M50-G54 WeakPolarHBondContact CE-O 3.44Å; M50-K56 HydrophobicContact SD-CD 4.29Å; M50-K56 HydrophobicContact SD-CG 3.44Å; M50-K56 WeakPolarHBondContact SD-CG 3.37Å
51C94.4Very high94.7Very high1 Ų150.5 Ų50.51%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-76.6147.7173.6-61.30000109.2E34 Y35 A36 D53 G54 T55 R57E34-C51 HydrophobicContact CG-CB 4.41Å; Y35-C51 WeakPolarHBondContact O-CA 2.98Å; A36-C51 HydrophobicContact CB-CB 4.34Å; C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 3.35Å; C51-G54 PolarHBondContact O-N 3.25Å; C51-T55 WeakPolarHBondContact CB-O 3.44Å; C51-T55 PolarHBondContact N-O 2.81Å; C51-R57 VanDerWaalsContact SG-CD 3.53Å
52F92.1Very high94.6Very high55 Ų5553.2 Ų53.224%0.24128%0.279CS..THydrogen-bonded Turntrans-74.8-2.2-179.6-70.8-73.3000113.2Y35 Q37 G54 I76 L109 P110 A113Y35-F52 WeakPolarHBondContact O-CD2 3.21Å; Y35-F52 PolarHBondContact O-N 2.74Å; Q37-F52 HydrophobicContact CB-CZ 4.35Å; F52-G54 PolarHBondContact O-N 3.32Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.22Å; F52-L109 HydrophobicContact CD2-CD2 3.69Å; F52-L109 HydrophobicContact CE2-CD2 3.39Å; F52-L109 HydrophobicContact CG-CD2 4.4Å; F52-L109 HydrophobicContact CZ-CD2 3.86Å; F52-P110 VanDerWaalsContact CD1-CD 3.45Å; F52-P110 HydrophobicContact CD1-CG 3.68Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; F52-A113 HydrophobicContact CE1-CB 4.07Å; F52-A113 HydrophobicContact CZ-CB 4.11Å
53D90.6Very high94.5Very high66 Ų6651.7 Ų51.735%0.35328%0.283SS..THydrogen-bonded Turntrans-71.7-9.3162.268.5-2.7000113.2E34 C51 T55 R57E34-D53 HydrophobicContact CG-CB 4.34Å; C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CB 3.12Å; D53-T55 PolarHBondContact OD1-N 2.91Å; D53-R57 IonicContact OD2-CZ 3.62Å; D53-R57 IonicContact OD2-NE 3.21Å; D53-R57 PolarHBondContact OD2-NE 2.83Å; D53-R57 IonicContact OD2-NH2 2.75Å; D53-R57 PolarHBondContact OD2-NH2 2.83Å
54G90.3Very high94.3Very high49 Ų4956.8 Ų56.851%0.50529%0.293SS..SBendtrans97.1-2.3-178.300000114.8M50 C51 F52M50-G54 WeakPolarHBondContact CE-O 3.44Å; C51-G54 PolarHBondContact O-N 3.25Å; F52-G54 PolarHBondContact O-N 3.32Å
55T93.3Very high94.1Very high47 Ų4751.4 Ų51.429%0.28826%0.264SS..  trans-101136.2-174.5-54.90000111.7C51 D53 R57C51-T55 WeakPolarHBondContact CB-O 3.44Å; C51-T55 PolarHBondContact N-O 2.81Å; D53-T55 WeakPolarHBondContact OD1-CB 3.12Å; D53-T55 PolarHBondContact OD1-N 2.91Å; T55-R57 HydrophobicContact CG2-CG 4.07Å
56K95.9Very high93.9Very high128 Ų12855.5 Ų55.556%0.55727%0.274SS*.EExtended strand (participates in β ladder)trans-84.8119.3170.9-68.2-178.4-177.31800109.6I39 A49 M50I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.12Å; A49-K56 WeakPolarHBondContact O-CA 3.33Å; M50-K56 HydrophobicContact SD-CD 4.29Å; M50-K56 HydrophobicContact SD-CG 3.44Å; M50-K56 WeakPolarHBondContact SD-CG 3.37Å
57R96Very high93.3Very high7 Ų760 Ų603%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-119.1144-176.9-59-176.6-171.4-118.9-1.5111.4A49 C51 D53 T55 C59 D86 A89A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 PolarHBondContact O-N 3.3Å; C51-R57 VanDerWaalsContact SG-CD 3.53Å; D53-R57 IonicContact OD2-CZ 3.62Å; D53-R57 IonicContact OD2-NE 3.21Å; D53-R57 PolarHBondContact OD2-NE 2.83Å; D53-R57 IonicContact OD2-NH2 2.75Å; D53-R57 PolarHBondContact OD2-NH2 2.83Å; T55-R57 HydrophobicContact CG2-CG 4.07Å; R57-C59 PolarHBondContact O-N 2.95Å; R57-D86 WeakPolarHBondContact CD-O 3.49Å; R57-D86 VanDerWaalsContact CZ-O 3.28Å; R57-D86 IonicContact CZ-OD1 3.66Å; R57-D86 IonicContact CZ-OD2 2.74Å; R57-D86 VanDerWaalsContact NH1-C 3.34Å; R57-D86 PolarHBondContact NH1-O 2.85Å; R57-D86 IonicContact NH1-OD1 3.68Å; R57-D86 PolarHBondContact NH1-OD1 3.44Å; R57-D86 IonicContact NH1-OD2 3.46Å; R57-D86 VanDerWaalsContact NH2-CG 3.31Å; R57-D86 IonicContact NH2-OD1 2.83Å; R57-D86 PolarHBondContact NH2-OD1 2.86Å; R57-D86 IonicContact NH2-OD2 3.23Å; R57-D86 PolarHBondContact NH2-OD2 2.79Å; R57-A89 HydrophobicContact CB-CB 4.43Å
58L96.6Very high92.8Very high83 Ų8364.8 Ų64.844%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-85.8106.5174.2-130.6144.6000108.2L42 R46 N87 K88 A89L42-L58 HydrophobicContact CD1-CD1 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.54Å; L42-L58 HydrophobicContact CD1-CG 3.83Å; R46-L58 HydrophobicContact CB-CD2 4.43Å; L58-N87 PolarHBondContact N-O 2.61Å; L58-K88 WeakPolarHBondContact O-CA 3.44Å; L58-A89 PolarHBondContact O-N 2.94Å
59C97.1Very high92.4Very high1 Ų164.6 Ų64.61%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-97.4140.3-172-58.90000111.3R46 L47 R57 A89 V91R46-C59 WeakPolarHBondContact CA-O 3.44Å; L47-C59 HydrophobicContact CD1-CB 3.58Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.89Å; L47-C59 PolarHBondContact O-N 2.64Å; R57-C59 PolarHBondContact O-N 2.95Å; C59-A89 CarbonylContact C-O 3.54Å; C59-A89 VanDerWaalsContact CA-O 3.25Å; C59-A89 WeakPolarHBondContact CA-O 3.34Å; C59-V91 HydrophobicContact CB-CG2 3.88Å
60H96Very high92.1Very high59 Ų5974.9 Ų74.927%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-108.1126.5174.8178.3-101.1000110.7R62 R66 A89 D90 V91H60-R62 PolarHBondContact O-N 2.93Å; H60-R66 PolarHBondContact CD2-NH2 2.86Å; H60-R66 PolarHBondContact NE2-NH2 3.32Å; H60-A89 PolarHBondContact N-O 3.36Å; H60-D90 WeakPolarHBondContact CB-OD1 3.25Å; H60-D90 IonicContact CG-OD1 3.86Å; H60-D90 IonicContact ND1-OD1 3.45Å; H60-D90 PolarHBondContact ND1-OD1 3.47Å; H60-D90 WeakPolarHBondContact O-CA 3.33Å; H60-V91 PolarHBondContact O-N 2.86Å
61I95.8Very high92Very high14 Ų1472.3 Ų72.37%0.07235%0.345CS..EExtended strand (participates in β ladder)trans-73.8117-178.4-54.9173.6000108.7M41 G45 L47 G63 L65 R66 I71 V91M41-I61 HydrophobicContact CE-CD1 4.16Å; G45-I61 WeakPolarHBondContact O-CB 3.29Å; G45-I61 WeakPolarHBondContact O-CG1 3.14Å; G45-I61 PolarHBondContact O-N 2.86Å; L47-I61 HydrophobicContact CD2-CD1 4.16Å; L47-I61 HydrophobicContact CD2-CG1 3.98Å; I61-G63 PolarHBondContact O-N 2.77Å; I61-L65 HydrophobicContact CG2-CB 3.99Å; I61-R66 HydrophobicContact CB-CG 4.08Å; I61-R66 HydrophobicContact CG2-CG 3.69Å; I61-R66 PolarHBondContact O-NE 2.93Å; I61-I71 HydrophobicContact CD1-CD1 4.27Å; I61-I71 HydrophobicContact CG1-CD1 4.26Å; I61-I71 HydrophobicContact CG2-CD1 4.09Å; I61-V91 HydrophobicContact CG1-CG2 4.42Å
62R93.8Very high91.9Very high141 Ų14176.9 Ų76.953%0.53237%0.369SS..  trans-57.4138.9178.2-176.4174.9-177.7177.42.4110.3H60 K64 L65 R66 V91H60-R62 PolarHBondContact O-N 2.93Å; R62-K64 PolarHBondContact O-N 3.09Å; R62-L65 HydrophobicContact CB-CD1 3.81Å; R62-L65 HydrophobicContact CG-CD1 4.46Å; R62-L65 PolarHBondContact O-N 2.98Å; R62-R66 PolarHBondContact O-N 2.91Å; R62-V91 WeakPolarHBondContact CB-O 3.37Å
63G91.8Very high91.9Very high47 Ų4777.5 Ų77.549%0.48538%0.377SS..Hα-helixtrans-55.9-29.2-17400000114.7I61 L65I61-G63 PolarHBondContact O-N 2.77Å; G63-L65 VanDerWaalsContact C-N 3.35Å
64K90.1Very high92Very high148 Ų14876.7 Ų76.764%0.64338%0.377SS*.Hα-helixtrans-62.4-39.1174.8-171.6179.7178.4-174.40112.1R62R62-K64 PolarHBondContact O-N 3.09Å
65L89Confident92.2Very high13 Ų1375.4 Ų75.47%0.06836%0.359CS..Hα-helixtrans-78.4-36.6-179.7-71.895000111.9I61 R62 G63 K67 K68 V69 V91 I92I61-L65 HydrophobicContact CG2-CB 3.99Å; R62-L65 HydrophobicContact CB-CD1 3.81Å; R62-L65 HydrophobicContact CG-CD1 4.46Å; R62-L65 PolarHBondContact O-N 2.98Å; G63-L65 VanDerWaalsContact C-N 3.35Å; L65-K67 PolarHBondContact O-N 2.77Å; L65-K68 PolarHBondContact O-N 2.84Å; L65-V69 HydrophobicContact CB-CB 4.46Å; L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 PolarHBondContact O-N 2.74Å; L65-V91 HydrophobicContact CD2-CG1 4.45Å; L65-I92 VanDerWaalsContact CD1-O 3.27Å; L65-I92 WeakPolarHBondContact CD1-O 3.4Å
66R87.8Confident92.2Very high102 Ų10273.4 Ų73.439%0.38535%0.346SS..Hα-helixtrans-51.6-26.2-176.9-69.1-177.4175.8-120.54.8115.3N44 G45 H60 I61 R62N44-R66 PolarHBondContact O-NH1 2.81Å; N44-R66 VanDerWaalsContact O-NH1 3.17Å; N44-R66 PolarHBondContact O-NH2 3.34Å; G45-R66 VanDerWaalsContact CA-CZ 3.46Å; G45-R66 VanDerWaalsContact CA-NH2 3.34Å; G45-R66 PolarHBondContact O-NH2 3.03Å; H60-R66 PolarHBondContact CD2-NH2 2.86Å; H60-R66 PolarHBondContact NE2-NH2 3.32Å; I61-R66 HydrophobicContact CB-CG 4.08Å; I61-R66 HydrophobicContact CG2-CG 3.69Å; I61-R66 PolarHBondContact O-NE 2.93Å; R62-R66 PolarHBondContact O-N 2.91Å
67K83.4Confident92.2Very high198 Ų19867.3 Ų67.386%0.86132%0.32SS*.THydrogen-bonded Turntrans-101.5-15.7-179.6-65.3-173.5178.8-177.80114.2L65L65-K67 PolarHBondContact O-N 2.77Å
68K85.6Confident92.2Very high101 Ų10167 Ų6744%0.43932%0.319SS..THydrogen-bonded Turntrans-112.8-42.9-170.4-69.4-168.7169.1-159.90112E18 L65E18-K68 IonicContact OE2-NZ 2.59Å; E18-K68 PolarHBondContact OE2-NZ 2.84Å; L65-K68 PolarHBondContact O-N 2.84Å
69V89.1Confident92.2Very high32 Ų3263.1 Ų63.119%0.19430%0.298CS..  trans-121.8128.3-168-178.10000109.8L65 I71 K94L65-V69 HydrophobicContact CB-CB 4.46Å; L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 PolarHBondContact O-N 2.74Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å; V69-K94 HydrophobicContact CG1-CB 3.7Å; V69-K94 HydrophobicContact CG1-CD 3.49Å; V69-K94 VanDerWaalsContact CG1-CD 3.49Å; V69-K94 HydrophobicContact CG1-CG 4.19Å
70W90.5Very high92.2Very high216 Ų21663.6 Ų63.682%0.81830%0.304SS*.  trans-90.1130.8172.4-64.373.3000109
71I92.6Very high92.1Very high11 Ų1163.5 Ų63.56%0.05631%0.305CS..  trans-116.5125.7-178.5-58.2174000107.8V38 M41 L47 I61 V69 I77 V91V38-I71 HydrophobicContact CG2-CG2 3.8Å; M41-I71 VanDerWaalsContact CE-O 3.3Å; M41-I71 WeakPolarHBondContact CE-O 3.36Å; L47-I71 HydrophobicContact CD2-CG2 3.91Å; I61-I71 HydrophobicContact CD1-CD1 4.27Å; I61-I71 HydrophobicContact CG1-CD1 4.26Å; I61-I71 HydrophobicContact CG2-CD1 4.09Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å; I71-I77 HydrophobicContact CG2-CG2 4.31Å; I71-V91 HydrophobicContact CD1-CG1 3.98Å
72N92.2Very high92Very high97 Ų9765.4 Ų65.452%0.51931%0.311SS..  trans-113.4172.6179.7-68.9-39.1000111.1V38 D75V38-N72 WeakPolarHBondContact CB-O 3.24Å; V38-N72 WeakPolarHBondContact CG1-O 3.44Å; N72-D75 PolarHBondContact N-OD2 3.46Å; N72-D75 WeakPolarHBondContact O-CB 3.38Å
73T92.6Very high91.9Very high67 Ų6766.1 Ų66.141%0.41133%0.325SS..THydrogen-bonded Turntrans-68.4143.8174.153.40000110.9M41 D75M41-T73 HydrophobicContact CG-CG2 4.3Å; T73-D75 PolarHBondContact O-N 3Å
74S92.6Very high91.8Very high49 Ų4971.2 Ų71.234%0.34333%0.331SS..THydrogen-bonded Turntrans73.5-0.2-174.4-42.40000116.1Q37 V38Q37-S74 PolarHBondContact NE2-O 2.84Å; Q37-S74 VanDerWaalsContact NE2-O 3.09Å; V38-S74 WeakPolarHBondContact O-CA 3.22Å; V38-S74 PolarHBondContact O-N 2.67Å
75D93.6Very high91.9Very high23 Ų2367.8 Ų67.812%0.12332%0.317CS..  trans-65.7147.5172.8-73.1-7.1000111.3Q37 V38 N72 T73 K94Q37-D75 WeakPolarHBondContact CA-O 3.47Å; V38-D75 HydrophobicContact CG2-CB 4.37Å; V38-D75 PolarHBondContact N-O 2.77Å; N72-D75 PolarHBondContact N-OD2 3.46Å; N72-D75 WeakPolarHBondContact O-CB 3.38Å; T73-D75 PolarHBondContact O-N 3Å; D75-K94 WeakPolarHBondContact OD2-CE 3.49Å
76I94.1Very high92.1Very high5 Ų571.3 Ų71.33%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-91.1129.6172-53.1-57.8000108.8Q37 F52 Y95 A100 L109Q37-I76 HydrophobicContact CB-CD1 4.01Å; Q37-I76 HydrophobicContact CG-CD1 4.16Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.22Å; I76-Y95 HydrophobicContact CG2-CD2 3.95Å; I76-Y95 PolarHBondContact O-N 2.59Å; I76-A100 HydrophobicContact CB-CB 4.26Å; I76-A100 HydrophobicContact CG1-CB 3.98Å; I76-L109 HydrophobicContact CG2-CD1 4.25Å
77I95.3Very high92.4Very high0 Ų072.1 Ų72.10%035%0.348CS..EExtended strand (participates in β ladder)trans-132.9155.7-175.359.3167.4000110.9A36 V38 L47 A49 I71 V79 V91 L93 K94A36-I77 HydrophobicContact CB-CD1 4.47Å; A36-I77 HydrophobicContact CB-CG1 4.06Å; A36-I77 PolarHBondContact N-O 2.99Å; A36-I77 WeakPolarHBondContact O-CG1 3.49Å; A36-I77 PolarHBondContact O-N 2.88Å; V38-I77 HydrophobicContact CG2-CD1 3.88Å; V38-I77 HydrophobicContact CG2-CG1 4.2Å; V38-I77 HydrophobicContact CG2-CG2 4.03Å; L47-I77 HydrophobicContact CD1-CD1 4.07Å; A49-I77 HydrophobicContact CB-CD1 4.15Å; I71-I77 HydrophobicContact CG2-CG2 4.31Å; I77-V79 HydrophobicContact CD1-CG1 3.67Å; I77-V79 HydrophobicContact CG1-CG1 4.06Å; I77-V91 HydrophobicContact CB-CG1 4.22Å; I77-V91 HydrophobicContact CD1-CG1 4.21Å; I77-V91 HydrophobicContact CD1-CG2 3.96Å; I77-V91 HydrophobicContact CG2-CG1 4.41Å; I77-L93 CarbonylContact C-O 3.6Å; I77-L93 WeakPolarHBondContact CA-O 3.37Å; I77-L93 WeakPolarHBondContact CB-O 3.49Å; I77-K94 HydrophobicContact CG2-CB 4.47Å; I77-K94 HydrophobicContact CG2-CG 4.5Å
78L96.3Very high92.9Very high1 Ų167 Ų671%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-96.7125.1167.6-172.661.7000108.9V27 K29 Q33 Y35 I92 L93 Y95V27-L78 HydrophobicContact CG1-CD2 4.39Å; K29-L78 HydrophobicContact CB-CD1 3.8Å; Q33-L78 HydrophobicContact CB-CD1 4.14Å; Y35-L78 HydrophobicContact CD1-CD1 4.19Å; Y35-L78 HydrophobicContact CE1-CD1 4.24Å; 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 3.19Å; L78-L93 HydrophobicContact CB-CB 3.99Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 PolarHBondContact N-O 2.94Å; L78-L93 PolarHBondContact O-N 3.08Å; L78-Y95 HydrophobicContact CB-CE2 3.81Å
79V96.6Very high93.5Very high0 Ų062.2 Ų62.20%031%0.305CS..EExtended strand (participates in β ladder)trans-113139.5178.4-61.90000110.9Q33 E34 A36 I77 L81 A89 D90Q33-V79 CarbonylContact C-O 3.53Å; Q33-V79 VanDerWaalsContact CA-O 3.22Å; Q33-V79 WeakPolarHBondContact CA-O 3.28Å; Q33-V79 WeakPolarHBondContact CB-O 3.22Å; E34-V79 HydrophobicContact CB-CG2 4.23Å; E34-V79 PolarHBondContact N-O 2.85Å; E34-V79 WeakPolarHBondContact O-CG2 3.27Å; E34-V79 PolarHBondContact O-N 3.25Å; A36-V79 HydrophobicContact CB-CG1 3.97Å; A36-V79 HydrophobicContact CB-CG2 4.08Å; I77-V79 HydrophobicContact CD1-CG1 3.67Å; I77-V79 HydrophobicContact CG1-CG1 4.06Å; V79-L81 HydrophobicContact CG2-CD2 4.36Å; V79-A89 HydrophobicContact CB-CB 4.02Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; V79-D90 CarbonylContact C-O 3.49Å; V79-D90 WeakPolarHBondContact CA-O 3.23Å
80G96.6Very high93.8Very high12 Ų1262.9 Ų62.912%0.12431%0.308CS..EExtended strand (participates in β ladder)trans-91.8124.7168.800000109.8A89 D90G80-A89 WeakPolarHBondContact O-CA 3.48Å; G80-A89 WeakPolarHBondContact O-CB 3.36Å; G80-D90 PolarHBondContact N-O 3.11Å; G80-D90 PolarHBondContact O-N 2.85Å
81L95.1Very high94.1Very high56 Ų5652.6 Ų52.629%0.29327%0.269SS..EExtended strand (participates in β ladder)trans-76.5156.8177.6-53.9-175.1000110.4G32 E34 V79G32-L81 WeakPolarHBondContact O-CB 3.13Å; G32-L81 PolarHBondContact O-N 3.02Å; E34-L81 HydrophobicContact CB-CD1 4.45Å; E34-L81 HydrophobicContact CB-CD2 4.23Å; E34-L81 HydrophobicContact CB-CG 4.48Å; V79-L81 HydrophobicContact CG2-CD2 4.36Å
82R93.9Very high94.2Very high54 Ų5454.5 Ų54.520%0.20428%0.279CS..  trans-109.9123.9172.6-63.8174.6-178.8-177.20.7108.5Y84 Q85 D90R82-Y84 HydrophobicContact CB-CD1 4.47Å; R82-Y84 HydrophobicContact CB-CE1 4.16Å; R82-Y84 HydrophobicContact CG-CE1 4.48Å; R82-Y84 PolarHBondContact O-N 3.4Å; R82-Q85 CarbonylContact O-C 3.51Å; R82-Q85 PolarHBondContact O-N 2.85Å; R82-D90 IonicContact CZ-OD2 2.74Å; R82-D90 IonicContact NE-OD2 2.77Å; R82-D90 PolarHBondContact NE-OD2 2.84Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.82Å; R82-D90 VanDerWaalsContact NH2-OD1 3.11Å; R82-D90 IonicContact NH2-OD2 2.84Å; R82-D90 PolarHBondContact NH2-OD2 3.31Å
83D90.7Very high94.3Very high156 Ų15652.1 Ų52.183%0.83427%0.265SS*.THydrogen-bonded Turntrans-53.8-36.1175.157.6-31.8000113.2
84Y90.3Very high94.3Very high154 Ų15450.7 Ų50.760%0.60425%0.253SS*.THydrogen-bonded Turntrans-94-14.2-177.261.9-93.4000115.2R82R82-Y84 HydrophobicContact CB-CD1 4.47Å; R82-Y84 HydrophobicContact CB-CE1 4.16Å; R82-Y84 HydrophobicContact CG-CE1 4.48Å; R82-Y84 PolarHBondContact O-N 3.4Å
85Q92.8Very high94.3Very high77 Ų7748.5 Ų48.536%0.3624%0.238SC..  trans-147.286.8-174.3-92.4176.235.600111.6R82 N87 K88R82-Q85 CarbonylContact O-C 3.51Å; R82-Q85 PolarHBondContact O-N 2.85Å; Q85-N87 VanDerWaalsContact C-N 3.28Å; Q85-N87 PolarHBondContact O-N 2.79Å; Q85-K88 PolarHBondContact O-N 3.01Å; Q85-K88 VanDerWaalsContact O-N 3.08Å
86D92.1Very high94.2Very high87 Ų8750.4 Ų50.447%0.46525%0.248SC..THydrogen-bonded Turntrans-60.5-34.1-178.3-157.654.7000112.9R57 K88R57-D86 WeakPolarHBondContact CD-O 3.49Å; R57-D86 VanDerWaalsContact CZ-O 3.28Å; R57-D86 IonicContact CZ-OD1 3.66Å; R57-D86 IonicContact CZ-OD2 2.74Å; R57-D86 VanDerWaalsContact NH1-C 3.34Å; R57-D86 PolarHBondContact NH1-O 2.85Å; R57-D86 IonicContact NH1-OD1 3.68Å; R57-D86 PolarHBondContact NH1-OD1 3.44Å; R57-D86 IonicContact NH1-OD2 3.46Å; R57-D86 VanDerWaalsContact NH2-CG 3.31Å; R57-D86 IonicContact NH2-OD1 2.83Å; R57-D86 PolarHBondContact NH2-OD1 2.86Å; R57-D86 IonicContact NH2-OD2 3.23Å; R57-D86 PolarHBondContact NH2-OD2 2.79Å; D86-K88 PolarHBondContact O-N 3.05Å
87N94Very high93.9Very high119 Ų11950.8 Ų50.864%0.63625%0.252SS*.THydrogen-bonded Turntrans-65.5-6.4178-65.7-43.9000114.7L58 Q85L58-N87 PolarHBondContact N-O 2.61Å; Q85-N87 VanDerWaalsContact C-N 3.28Å; Q85-N87 PolarHBondContact O-N 2.79Å
88K95.2Very high93.5Very high90 Ų9055.7 Ų55.739%0.39128%0.278SS..EExtended strand (participates in β ladder)trans-130146.8-177.5-62.3-174.7-167.3154.20111.6L58 Q85 D86L58-K88 WeakPolarHBondContact O-CA 3.44Å; Q85-K88 PolarHBondContact O-N 3.01Å; Q85-K88 VanDerWaalsContact O-N 3.08Å; D86-K88 PolarHBondContact O-N 3.05Å
89A96.8Very high93.2Very high0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-143.6168.7176.400000110.8R57 L58 C59 H60 V79 G80R57-A89 HydrophobicContact CB-CB 4.43Å; L58-A89 PolarHBondContact O-N 2.94Å; C59-A89 CarbonylContact C-O 3.54Å; C59-A89 VanDerWaalsContact CA-O 3.25Å; C59-A89 WeakPolarHBondContact CA-O 3.34Å; H60-A89 PolarHBondContact N-O 3.36Å; V79-A89 HydrophobicContact CB-CB 4.02Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; G80-A89 WeakPolarHBondContact O-CA 3.48Å; G80-A89 WeakPolarHBondContact O-CB 3.36Å
90D96Very high92.8Very high47 Ų4757.5 Ų57.525%0.25129%0.287SS..EExtended strand (participates in β ladder)trans-118.4136.5174.6-70.2-82.5000110.1H60 V79 G80 R82 I92H60-D90 WeakPolarHBondContact CB-OD1 3.25Å; H60-D90 IonicContact CG-OD1 3.86Å; H60-D90 IonicContact ND1-OD1 3.45Å; H60-D90 PolarHBondContact ND1-OD1 3.47Å; H60-D90 WeakPolarHBondContact O-CA 3.33Å; V79-D90 CarbonylContact C-O 3.49Å; V79-D90 WeakPolarHBondContact CA-O 3.23Å; G80-D90 PolarHBondContact N-O 3.11Å; G80-D90 PolarHBondContact O-N 2.85Å; R82-D90 IonicContact CZ-OD2 2.74Å; R82-D90 IonicContact NE-OD2 2.77Å; R82-D90 PolarHBondContact NE-OD2 2.84Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.82Å; R82-D90 VanDerWaalsContact NH2-OD1 3.11Å; R82-D90 IonicContact NH2-OD2 2.84Å; R82-D90 PolarHBondContact NH2-OD2 3.31Å; D90-I92 PolarHBondContact O-N 2.62Å
91V96Very high92.4Very high0 Ų061.8 Ų61.80%030%0.299CS..EExtended strand (participates in β ladder)trans-77.2124.3179.4-173.60000109.9L47 C59 H60 I61 R62 L65 I71 I77L47-V91 HydrophobicContact CD2-CG2 4.19Å; C59-V91 HydrophobicContact CB-CG2 3.88Å; H60-V91 PolarHBondContact O-N 2.86Å; I61-V91 HydrophobicContact CG1-CG2 4.42Å; R62-V91 WeakPolarHBondContact CB-O 3.37Å; L65-V91 HydrophobicContact CD2-CG1 4.45Å; I71-V91 HydrophobicContact CD1-CG1 3.98Å; I77-V91 HydrophobicContact CB-CG1 4.22Å; I77-V91 HydrophobicContact CD1-CG1 4.21Å; I77-V91 HydrophobicContact CD1-CG2 3.96Å; I77-V91 HydrophobicContact CG2-CG1 4.41Å
92I95.3Very high92.2Very high51 Ų5161.5 Ų61.526%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-97.1-47.2-178.7-61.5176000111.2Q33 L65 L78 D90Q33-I92 HydrophobicContact CG-CD1 3.8Å; L65-I92 VanDerWaalsContact CD1-O 3.27Å; L65-I92 WeakPolarHBondContact CD1-O 3.4Å; 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 3.19Å; D90-I92 PolarHBondContact O-N 2.62Å
93L94.2Very high92Very high46 Ų4658.9 Ų58.924%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-146.7149-173.9-175.963.5000110.1V27 I77 L78 Y95V27-L93 HydrophobicContact CB-CD2 3.88Å; V27-L93 HydrophobicContact CG1-CD2 4.47Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; I77-L93 CarbonylContact C-O 3.6Å; I77-L93 WeakPolarHBondContact CA-O 3.37Å; I77-L93 WeakPolarHBondContact CB-O 3.49Å; L78-L93 HydrophobicContact CB-CB 3.99Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 PolarHBondContact N-O 2.94Å; L78-L93 PolarHBondContact O-N 3.08Å; L93-Y95 HydrophobicContact CD2-CD1 4.37Å; L93-Y95 HydrophobicContact CD2-CE1 3.87Å
94K93.4Very high92Very high37 Ų3755.5 Ų55.516%0.16127%0.27CS..EExtended strand (participates in β ladder)trans-104.6132.7165.1179.9-150.3169.4-166.90107V69 D75 I77V69-K94 HydrophobicContact CG1-CB 3.7Å; V69-K94 HydrophobicContact CG1-CD 3.49Å; V69-K94 VanDerWaalsContact CG1-CD 3.49Å; V69-K94 HydrophobicContact CG1-CG 4.19Å; D75-K94 WeakPolarHBondContact OD2-CE 3.49Å; I77-K94 HydrophobicContact CG2-CB 4.47Å; I77-K94 HydrophobicContact CG2-CG 4.5Å
95Y92.5Very high91.9Very high4 Ų452.4 Ų52.42%0.01628%0.277CS..  trans-88.7143.9171.4-63.7-75.5000110.7L26 V27 Y35 I76 L78 L93 E99 L103L26-Y95 HydrophobicContact CD1-CD1 4.27Å; L26-Y95 HydrophobicContact CD1-CE1 4.29Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.19Å; Y35-Y95 AromaticContact CD1-CE2 3.81Å; Y35-Y95 HydrophobicContact CD1-CE2 3.81Å; Y35-Y95 AromaticContact CE1-CE2 3.87Å; Y35-Y95 HydrophobicContact CE1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CZ 3.8Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; I76-Y95 HydrophobicContact CG2-CD2 3.95Å; I76-Y95 PolarHBondContact O-N 2.59Å; L78-Y95 HydrophobicContact CB-CE2 3.81Å; L93-Y95 HydrophobicContact CD2-CD1 4.37Å; L93-Y95 HydrophobicContact CD2-CE1 3.87Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.4Å; Y95-E99 HydrophobicContact CD1-CB 4.05Å; Y95-L103 HydrophobicContact CD1-CD1 3.85Å; Y95-L103 HydrophobicContact CD2-CD1 4Å; Y95-L103 HydrophobicContact CE1-CD1 3.86Å; Y95-L103 HydrophobicContact CE2-CD1 4Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å
96N90.6Very high91.8Very high62 Ų6256.2 Ų56.233%0.33229%0.289SS..  trans-73.9165.8167.3-70.3-9.4000110.6D98 E99 A100N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.45Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact N-OE2 2.83Å; N96-E99 PolarHBondContact O-N 2.9Å; N96-A100 WeakPolarHBondContact O-CB 2.83Å; N96-A100 PolarHBondContact O-N 2.92Å
97A87.6Confident91.6Very high14 Ų1455 Ų5512%0.11630%0.296CS..Hα-helixtrans-58.7-39.9178.800000112A100 R101 I115A97-A100 PolarHBondContact O-N 2.9Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.27Å; A97-I115 HydrophobicContact CB-CG2 4.41Å
98D87.3Confident91.3Very high102 Ų10252.7 Ų52.755%0.54528%0.282SS..Hα-helixtrans-66.8-40.2177.6-68.2-25.3000113N96 A100 R101 S102N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.45Å; D98-A100 VanDerWaalsContact C-N 3.35Å; D98-R101 PolarHBondContact O-N 3.25Å; D98-R101 IonicContact OD1-CZ 3.75Å; D98-R101 IonicContact OD1-NH1 3.85Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; D98-S102 PolarHBondContact O-N 2.91Å; D98-S102 PolarHBondContact O-OG 2.95Å
99E89.5Confident90.9Very high37 Ų3748.8 Ų48.817%0.17327%0.265CS..Hα-helixtrans-65.7-40.7175.3-67.7176.3148.600110.6L26 Y95 N96 R101 S102 L103L26-E99 HydrophobicContact CD1-CB 3.66Å; L26-E99 HydrophobicContact CD1-CG 3.94Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.4Å; Y95-E99 HydrophobicContact CD1-CB 4.05Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact N-OE2 2.83Å; N96-E99 PolarHBondContact O-N 2.9Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.9Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 2.78Å; E99-S102 VanDerWaalsContact O-N 3.15Å; E99-L103 WeakPolarHBondContact O-CG 3.15Å; E99-L103 PolarHBondContact O-N 2.95Å
100A89.9Confident90.3Very high2 Ų250.8 Ų50.82%0.01728%0.279CS..Hα-helixtrans-62.7-38.8174.900000112.2I76 N96 A97 D98 S102 L103 K104 I115I76-A100 HydrophobicContact CB-CB 4.26Å; I76-A100 HydrophobicContact CG1-CB 3.98Å; N96-A100 WeakPolarHBondContact O-CB 2.83Å; N96-A100 PolarHBondContact O-N 2.92Å; A97-A100 PolarHBondContact O-N 2.9Å; D98-A100 VanDerWaalsContact C-N 3.35Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-L103 PolarHBondContact O-N 3.41Å; A100-K104 PolarHBondContact O-N 3.11Å; A100-I115 HydrophobicContact CB-CD1 3.97Å; A100-I115 HydrophobicContact CB-CG1 4.12Å; A100-I115 HydrophobicContact CB-CG2 3.88Å
101R88.4Confident89.4Confident102 Ų10256.8 Ų56.839%0.38531%0.305SS..Hα-helixtrans-65.2-39.4172.8-69.7-175.3-162.4116.8-4.3111.5A97 D98 E99 K104 A105 I115 E117A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.27Å; D98-R101 PolarHBondContact O-N 3.25Å; D98-R101 IonicContact OD1-CZ 3.75Å; D98-R101 IonicContact OD1-NH1 3.85Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.9Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 3.45Å; R101-A105 PolarHBondContact O-N 3.03Å; R101-I115 HydrophobicContact CG-CD1 4.05Å; R101-E117 IonicContact CZ-OE1 3.94Å; R101-E117 IonicContact NE-OE1 3.41Å; R101-E117 IonicContact NH2-OE1 2.67Å; R101-E117 PolarHBondContact NH2-OE1 3.11Å
102S90.3Very high88.4Confident50 Ų5064.1 Ų64.135%0.3534%0.339SS..Hα-helixtrans-63.3-47.2176.2-56.30000111D98 E99 A100 K104 A105 Y106D98-S102 PolarHBondContact O-N 2.91Å; D98-S102 PolarHBondContact O-OG 2.95Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 2.78Å; E99-S102 VanDerWaalsContact O-N 3.15Å; A100-S102 VanDerWaalsContact C-N 3.34Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 2.81Å; S102-A105 WeakPolarHBondContact O-CA 3.42Å; S102-A105 WeakPolarHBondContact O-CB 3.32Å; S102-A105 PolarHBondContact O-N 3.49Å; S102-Y106 WeakPolarHBondContact O-CD2 3.3Å; S102-Y106 PolarHBondContact O-N 2.91Å
103L90.3Very high87.6Confident0 Ų062.1 Ų62.10%033%0.33CS..Hα-helixtrans-58.2-38.2174.9-73.3170.1000112.5L26 F28 Y35 Y95 E99 A100 Y106 G107 E108 L109L26-L103 HydrophobicContact CD1-CD2 4.44Å; L26-L103 HydrophobicContact CD1-CG 4.2Å; L26-L103 HydrophobicContact CD2-CD2 4.1Å; L26-L103 HydrophobicContact CD2-CG 4.28Å; L26-L103 HydrophobicContact CG-CD2 4.42Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; Y35-L103 HydrophobicContact CD1-CD1 4.35Å; Y35-L103 HydrophobicContact CE1-CD1 3.9Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.49Å; Y95-L103 HydrophobicContact CD1-CD1 3.85Å; Y95-L103 HydrophobicContact CD2-CD1 4Å; Y95-L103 HydrophobicContact CE1-CD1 3.86Å; Y95-L103 HydrophobicContact CE2-CD1 4Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å; E99-L103 WeakPolarHBondContact O-CG 3.15Å; E99-L103 PolarHBondContact O-N 2.95Å; A100-L103 PolarHBondContact O-N 3.41Å; L103-Y106 PolarHBondContact O-N 3.41Å; L103-G107 PolarHBondContact O-N 2.88Å; L103-E108 HydrophobicContact CB-CB 4.48Å; L103-E108 HydrophobicContact CD2-CB 4.19Å; L103-E108 HydrophobicContact CD2-CG 4.31Å; L103-E108 PolarHBondContact O-N 2.85Å; L103-L109 HydrophobicContact CB-CD1 3.69Å; L103-L109 HydrophobicContact CB-CG 3.96Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å
104K89.6Confident86.9Confident84 Ų8468 Ų6837%0.36535%0.353SS..Hα-helixtrans-64.2-42.6173-170.6-179.8-173.3172.80111.9A100 R101 S102 Y106 G107 E111 I115A100-K104 PolarHBondContact O-N 3.11Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 3.45Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 2.81Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 3.02Å; K104-G107 PolarHBondContact O-N 2.99Å; K104-G107 VanDerWaalsContact O-N 3.1Å; K104-E111 WeakPolarHBondContact CE-O 3.5Å; K104-E111 PolarHBondContact NZ-O 2.84Å; K104-I115 HydrophobicContact CD-CD1 4.34Å
105A88.3Confident86.5Confident90 Ų9068 Ų6874%0.74436%0.355SS*.Hα-helixtrans-65.2-32.4176.900000112.7R101 S102 G107R101-A105 PolarHBondContact O-N 3.03Å; S102-A105 WeakPolarHBondContact O-CA 3.42Å; S102-A105 WeakPolarHBondContact O-CB 3.32Å; S102-A105 PolarHBondContact O-N 3.49Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.17Å
106Y89.8Confident85.7Confident156 Ų15670.8 Ų70.861%0.61237%0.37SS*.THydrogen-bonded Turntrans-76.2-9.2173.2-71.5-64.8000113.9L26 F28 S102 L103 K104 E108L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.84Å; F28-Y106 HydrophobicContact CE1-CD2 4.04Å; F28-Y106 HydrophobicContact CE1-CG 4.2Å; F28-Y106 AromaticContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CE2 4.13Å; F28-Y106 HydrophobicContact CZ-CG 4.33Å; S102-Y106 WeakPolarHBondContact O-CD2 3.3Å; S102-Y106 PolarHBondContact O-N 2.91Å; L103-Y106 PolarHBondContact O-N 3.41Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 3.02Å; Y106-E108 VanDerWaalsContact C-N 3.33Å
107G88.7Confident84.4Confident61 Ų6174.5 Ų74.563%0.62939%0.385SS*.THydrogen-bonded Turntrans79.911.5-179.200000114.6L103 K104 A105 L109L103-G107 PolarHBondContact O-N 2.88Å; K104-G107 PolarHBondContact O-N 2.99Å; K104-G107 VanDerWaalsContact O-N 3.1Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.17Å; G107-L109 VanDerWaalsContact C-N 3.31Å
108E88.8Confident82.9Confident72 Ų7278.6 Ų78.634%0.33641%0.409SS..SBendtrans-74.7-24.6176.4-69.2-61.5152.400112.4F28 Y35 L103 Y106F28-E108 HydrophobicContact CD1-CG 4.16Å; F28-E108 HydrophobicContact CE1-CG 4.34Å; Y35-E108 HydrophobicContact CD2-CB 4.49Å; Y35-E108 HydrophobicContact CE2-CB 3.78Å; Y35-E108 HydrophobicContact CE2-CG 4.25Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.44Å; L103-E108 HydrophobicContact CB-CB 4.48Å; L103-E108 HydrophobicContact CD2-CB 4.19Å; L103-E108 HydrophobicContact CD2-CG 4.31Å; L103-E108 PolarHBondContact O-N 2.85Å; Y106-E108 VanDerWaalsContact C-N 3.33Å
109L86.3Confident81.2Confident7 Ų777.2 Ų77.24%0.03740%0.402CS..SBendtrans-112.7140.8178.4-62.6176.1000110.6Y35 F52 I76 L103 G107Y35-L109 HydrophobicContact CD2-CD2 4.42Å; Y35-L109 HydrophobicContact CG-CD2 4.1Å; F52-L109 HydrophobicContact CD2-CD2 3.69Å; F52-L109 HydrophobicContact CE2-CD2 3.39Å; F52-L109 HydrophobicContact CG-CD2 4.4Å; F52-L109 HydrophobicContact CZ-CD2 3.86Å; I76-L109 HydrophobicContact CG2-CD1 4.25Å; L103-L109 HydrophobicContact CB-CD1 3.69Å; L103-L109 HydrophobicContact CB-CG 3.96Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å; G107-L109 VanDerWaalsContact C-N 3.31Å
110P84.7Confident79.1Confident43 Ų4381.2 Ų81.228%0.27943%0.429SS..  trans-58.2145.2173.4-21.832000112.2F52 H112 A113F52-P110 VanDerWaalsContact CD1-CD 3.45Å; F52-P110 HydrophobicContact CD1-CG 3.68Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; P110-H112 WeakPolarHBondContact CB-CE1 3.45Å; P110-H112 WeakPolarHBondContact CB-ND1 3.5Å; P110-H112 PolarHBondContact O-N 3.43Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.29Å; P110-A113 PolarHBondContact O-N 2.88Å
111E75.9Confident77.2Confident172 Ų17289.6 Ų89.680%0.80447%0.465SS*.THydrogen-bonded Turntrans-57.6-26.8-177.9-75.5-166.5151.600114.1K104 A113K104-E111 WeakPolarHBondContact CE-O 3.5Å; K104-E111 PolarHBondContact NZ-O 2.84Å; E111-A113 VanDerWaalsContact C-N 3.31Å
112H74.8Confident75.1Confident155 Ų15587 Ų8772%0.71847%0.471SS*.THydrogen-bonded Turntrans-85.41.1-17964.8-92.2000113.9P110 K114P110-H112 WeakPolarHBondContact CB-CE1 3.45Å; P110-H112 WeakPolarHBondContact CB-ND1 3.5Å; P110-H112 PolarHBondContact O-N 3.43Å; H112-K114 PolarHBondContact O-N 3.03Å
113A78.9Confident73Confident9 Ų991.6 Ų91.67%0.07450%0.499CS..  trans-61.3119.6175.500000110.1F52 P110 E111 I115F52-A113 HydrophobicContact CE1-CB 4.07Å; F52-A113 HydrophobicContact CZ-CB 4.11Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.29Å; P110-A113 PolarHBondContact O-N 2.88Å; E111-A113 VanDerWaalsContact C-N 3.31Å; A113-I115 PolarHBondContact O-N 3.07Å
114K80.2Confident70.9Confident168 Ų16894 Ų9473%0.7352%0.524SS*.  trans-82102.9177.5-66.9-176.5179.7-177.90108.9Q37 H112Q37-K114 PolarHBondContact NE2-O 3.23Å; H112-K114 PolarHBondContact O-N 3.03Å
115I83.3Confident68.8Low37 Ų3796.5 Ų96.519%0.1954%0.541CS..  trans-83.6127.8176.1-57.7168.6000107.7A97 A100 R101 K104 A113A97-I115 HydrophobicContact CB-CG2 4.41Å; A100-I115 HydrophobicContact CB-CD1 3.97Å; A100-I115 HydrophobicContact CB-CG1 4.12Å; A100-I115 HydrophobicContact CB-CG2 3.88Å; R101-I115 HydrophobicContact CG-CD1 4.05Å; K104-I115 HydrophobicContact CD-CD1 4.34Å; A113-I115 PolarHBondContact O-N 3.07Å
116N77.2Confident66.8Low64 Ų64100 Ų10034%0.34255%0.548SS..  trans-78.9128.9175.6-165.25.9000109.7T118N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact OD1-OG1 3.06Å
117E63.4Low64.8Low139 Ų13998.5 Ų98.565%0.6555%0.55SS**  trans-97.730.6-179.8-60.8-166.514500111.9R101 D119R101-E117 IonicContact CZ-OE1 3.94Å; R101-E117 IonicContact NE-OE1 3.41Å; R101-E117 IonicContact NH2-OE1 2.67Å; R101-E117 PolarHBondContact NH2-OE1 3.11Å; E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.25Å
118T54.9Low63Low101 Ų101103.2 Ų103.262%0.6256%0.556SS**  trans-95.954.5176.1-44.90000110.7N116N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact OD1-OG1 3.06Å
119D51.5Low61.5Low73 Ų73107 Ų10739%0.3958%0.577SS.*  trans-91.8107.5154.1-109.7-27.3000106.2E117 F121E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.25Å; D119-F121 PolarHBondContact O-N 2.74Å
120T46.3Very low60Low120 Ų120113.4 Ų113.474%0.73661%0.607SS**SBendtrans-645.4174.9-44.10000112.5
121F49Very low58.5Low179 Ų179120.8 Ų120.879%0.78564%0.635SS**  trans-128.677.6175.9-62.1-83.3000108.1D119D119-F121 PolarHBondContact O-N 2.74Å
122G44.5Very low57.1Low48 Ų48118.6 Ų118.650%0.49563%0.629SS.*  trans-62.5166.8151.800000109.3G124G122-G124 PolarHBondContact O-N 2.81Å
123P46.6Very low56.1Low145 Ų145118.8 Ų118.894%0.94264%0.635SS**SBendtrans-71.142.4169.833-35.7000111.7
124G46.8Very low54.9Low52 Ų52125.8 Ų125.854%0.53667%0.669SS.*  trans-113.5116.7174.400000108G122G122-G124 PolarHBondContact O-N 2.81Å
125D45.3Very low53.6Low135 Ų135120.2 Ų120.272%0.72266%0.66SS**  trans74.162.4165.8-45.1-25000115.4D127D125-D127 HydrophobicContact CB-CB 4.37Å; D125-D127 PolarHBondContact O-N 2.79Å; D125-D127 VanDerWaalsContact O-N 3.11Å
126D46.6Very low52.2Low165 Ų165126 Ų12688%0.88269%0.691SS**  trans-7248.6136.3-142.617.7000108.2E128D126-E128 PolarHBondContact O-N 2.78Å
127D46.5Very low51Low124 Ų124129.8 Ų129.866%0.66371%0.711SS**  trans-61.9100.2164.3-92.6-23.8000104.5D125 I129D125-D127 HydrophobicContact CB-CB 4.37Å; D125-D127 PolarHBondContact O-N 2.79Å; D125-D127 VanDerWaalsContact O-N 3.11Å; D127-I129 PolarHBondContact O-N 2.89Å
128E50.7Low50.6Low159 Ų159130.5 Ų130.574%0.74372%0.719SS**  trans-42.8102.4172.5-68.1-180166.300108.2D126 Q130D126-E128 PolarHBondContact O-N 2.78Å; E128-Q130 PolarHBondContact O-N 2.81Å
129I59.2Low50.7Low151 Ų151133.9 Ų133.977%0.77473%0.728SS**  trans-70.584.3160.7-56.2179.1000104.7D127 F131D127-I129 PolarHBondContact O-N 2.89Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 HydrophobicContact CG2-CD2 4.3Å; I129-F131 PolarHBondContact O-N 3.08Å
130Q54.8Low50.9Low143 Ų143137.4 Ų137.467%0.66875%0.747SS**  trans-58.3105.1156.8-86.9-173.8-9.200105.7E128 D132E128-Q130 PolarHBondContact O-N 2.81Å; Q130-D132 PolarHBondContact O-N 2.73Å
131F51.5Low51.3Low197 Ų197139.7 Ų139.786%0.86475%0.753SS**  trans-6389.8156.6-109.4-96.1000105.5I129 D133I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 HydrophobicContact CG2-CD2 4.3Å; I129-F131 PolarHBondContact O-N 3.08Å; F131-D133 PolarHBondContact O-N 3.44Å
132D47.3Very low51.5Low126 Ų126137.9 Ų137.967%0.67475%0.752SS**  trans-57125156.9-102.5-14.7000105.8Q130 I134Q130-D132 PolarHBondContact O-N 2.73Å; D132-I134 PolarHBondContact O-N 2.91Å
133D52.8Low51.9Low160 Ų160143 Ų14386%0.85677%0.768SS**  trans-62.984.6173.5-164.629.7000106.1F131 G135F131-D133 PolarHBondContact O-N 3.44Å; D133-G135 PolarHBondContact O-N 2.94Å
134I54.8Low51.8Low155 Ų155147.8 Ų147.880%0.79578%0.783SS**  trans-60.697.9170.2-70.8175.3000104.6D132D132-I134 PolarHBondContact O-N 2.91Å
135G52.1Low52Low51 Ų51152.6 Ų152.653%0.52680%0.795SS.*  trans-49.9140.7163.600000108.5D133 D137D133-G135 PolarHBondContact O-N 2.94Å; G135-D137 PolarHBondContact O-N 3.39Å
136D54.7Low52.4Low158 Ų158153.5 Ų153.585%0.84580%0.799SS**SBendtrans-58.161.2-179.9-148.818.2000112.4
137D51.2Low52.7Low144 Ų144152.8 Ų152.877%0.7779%0.794SS**  trans-115.988.7167.1-84.1-23.3000108.3G135 E139G135-D137 PolarHBondContact O-N 3.39Å; D137-E139 PolarHBondContact O-N 3.42Å; D137-E139 VanDerWaalsContact O-N 3.08Å
138D56.3Low53Low154 Ų154154.5 Ų154.582%0.82480%0.802SS**  trans-54.5101.1157.3-77.6-45.9000108.9
139E55.4Low53.2Low172 Ų172154.3 Ų154.380%0.80481%0.806SS**  trans-127.797.2157.8-75.7-165.4-163.600109.6D137D137-E139 PolarHBondContact O-N 3.42Å; D137-E139 VanDerWaalsContact O-N 3.08Å
140D55.8Low52.8Low147 Ų147154.5 Ų154.579%0.78681%0.808SS**  trans32.493.3143.6-54.9-33.1000117.7
141I56Low52.6Low168 Ų168155.3 Ų155.386%0.86282%0.818SS**  trans-93.292.6153.1-71.8174.9000107.6
142D53.3Low52.7Low141 Ų141152.1 Ų152.175%0.75481%0.814SS**  trans-76.2134156.9-81-32.9000109.6
143D52.7Low53.2Low157 Ų157154.3 Ų154.384%0.8483%0.826SS**  trans54.8102160.9-70.9-25.2000120.1
144I43.1Very low53.2Low244 Ų244153.7 Ų153.7100%1.25182%0.823SS**  -153.90124.7-134.1166000113.4

Retrieved 144 of 144 residues in 260.3 ms (Link to these results)