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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 X6RAC9, Species HUMAN (Homo sapiens, Human), Gene EIF1AX, Length 116 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
1M54.4Low83.6Confident132 Ų13268.4 Ų68.465%0.6533%0.332SS*.  0135.40-147.8156.5167.700109.4Y7 L50M1-Y7 HydrophobicContact CE-CD1 4.49Å; M1-Y7 HydrophobicContact CE-CD2 3.82Å; M1-Y7 HydrophobicContact CE-CE1 4.01Å; M1-Y7 HydrophobicContact CE-CE2 3.28Å; M1-Y7 HydrophobicContact CE-CG 4.39Å; M1-Y7 HydrophobicContact SD-CE2 3.93Å; M1-L50 HydrophobicContact CE-CD1 3.98Å
2P55.2Low84.5Confident82 Ų8270.8 Ų70.853%0.53234%0.34SS..  trans-63.6138.4176.425.5-32.1000110.3N4 K5P2-N4 PolarHBondContact O-N 2.62Å; P2-K5 HydrophobicContact CG-CD 3.87Å; P2-K5 HydrophobicContact CG-CG 4.22Å; P2-K5 PolarHBondContact O-N 2.98Å
3K69Low85.3Confident215 Ų21571.6 Ų71.694%0.93535%0.345SS*.THydrogen-bonded Turntrans-56.9-1.5-167.1-82.6-174.8173.7-178.30117.7
4N87.1Confident85.9Confident61 Ų6172.1 Ų72.133%0.32635%0.35SS..THydrogen-bonded Turntrans-133.230.7-171.1-135.120.5000113.5P2 G52 L53 D55P2-N4 PolarHBondContact O-N 2.62Å; N4-G52 WeakPolarHBondContact O-CA 3.36Å; N4-L53 PolarHBondContact ND2-O 3.38Å; N4-L53 VanDerWaalsContact ND2-O 3.17Å; N4-L53 PolarHBondContact O-N 2.77Å; N4-L53 WeakPolarHBondContact OD1-CB 3.5Å; N4-D55 PolarHBondContact ND2-OD1 2.94Å; N4-D55 PolarHBondContact OD1-OD1 3.05Å
5K91Very high86.3Confident81 Ų8170.1 Ų70.135%0.35236%0.355SS..EExtended strand (participates in β ladder)trans-131.7146.2174.9-57.8-172.8-171.8177.70109.4P2 L50 V51 I64P2-K5 HydrophobicContact CG-CD 3.87Å; P2-K5 HydrophobicContact CG-CG 4.22Å; P2-K5 PolarHBondContact O-N 2.98Å; K5-L50 HydrophobicContact CB-CD1 4.13Å; K5-L50 HydrophobicContact CD-CD2 3.95Å; K5-L50 HydrophobicContact CD-CG 4.38Å; K5-V51 CarbonylContact C-O 3.6Å; K5-V51 WeakPolarHBondContact CA-O 3.43Å; K5-I64 HydrophobicContact CD-CD1 3.75Å; K5-I64 HydrophobicContact CG-CD1 3.86Å
6E92.1Very high86.6Confident48 Ų4873.1 Ų73.122%0.22437%0.372CS..EExtended strand (participates in β ladder)trans-142148.9-179.9-170.150.8-95.900109C23 D25 V51 L53E6-C23 HydrophobicContact CG-CB 4.07Å; E6-D25 HydrophobicContact CG-CB 4.43Å; E6-V51 HydrophobicContact CB-CG2 4.1Å; E6-V51 PolarHBondContact N-O 3.29Å; E6-V51 WeakPolarHBondContact O-CG2 3.36Å; E6-V51 PolarHBondContact O-N 2.93Å; E6-L53 HydrophobicContact CB-CD1 4.22Å; E6-L53 HydrophobicContact CB-CD2 4.28Å; E6-L53 HydrophobicContact CB-CG 4.28Å
7Y93.5Very high86.8Confident22 Ų2269.6 Ų69.69%0.08636%0.359CS..EExtended strand (participates in β ladder)trans-78.6147.5170.6-62.7-68.1000109.3M1 C23 F24 L50 Y67 L75 E80 L81M1-Y7 HydrophobicContact CE-CD1 4.49Å; M1-Y7 HydrophobicContact CE-CD2 3.82Å; M1-Y7 HydrophobicContact CE-CE1 4.01Å; M1-Y7 HydrophobicContact CE-CE2 3.28Å; M1-Y7 HydrophobicContact CE-CG 4.39Å; M1-Y7 HydrophobicContact SD-CE2 3.93Å; Y7-C23 WeakPolarHBondContact O-CA 3.25Å; Y7-F24 VanDerWaalsContact C-CD2 3.46Å; Y7-F24 VanDerWaalsContact CB-CD2 3.48Å; Y7-F24 WeakPolarHBondContact O-CD2 3.35Å; Y7-F24 PolarHBondContact O-N 3.45Å; Y7-L50 HydrophobicContact CD1-CD1 3.91Å; Y7-L50 HydrophobicContact CE1-CD1 3.91Å; Y7-Y67 AromaticContact CD1-CE2 3.8Å; Y7-Y67 HydrophobicContact CD1-CE2 3.8Å; Y7-Y67 AromaticContact CE1-CE2 3.66Å; Y7-Y67 HydrophobicContact CE1-CE2 3.66Å; Y7-Y67 AromaticContact CE1-CZ 3.78Å; Y7-Y67 WeakPolarHBondContact CE1-OH 2.84Å; Y7-L75 HydrophobicContact CD1-CD1 4.44Å; Y7-L75 HydrophobicContact CE1-CD1 4.05Å; Y7-L75 HydrophobicContact CE1-CD2 4.21Å; Y7-E80 HydrophobicContact CE2-CB 3.95Å; Y7-E80 HydrophobicContact CE2-CG 4.49Å; Y7-L81 HydrophobicContact CD2-CD2 4.47Å; Y7-L81 HydrophobicContact CG-CD2 4.24Å
8A94.3Very high87.2Confident0 Ų073 Ų730%037%0.366CS..EExtended strand (participates in β ladder)trans-146.7155.1174.900000111.7A21 M22 C23 I49 V51A8-A21 HydrophobicContact CB-CB 3.8Å; A8-M22 CarbonylContact C-O 3.53Å; A8-M22 VanDerWaalsContact CA-O 3.25Å; A8-M22 WeakPolarHBondContact CA-O 3.3Å; A8-M22 WeakPolarHBondContact CB-O 2.95Å; A8-C23 HydrophobicContact CB-CB 4.36Å; A8-I49 HydrophobicContact CB-CG1 4.09Å; A8-I49 PolarHBondContact N-O 3.21Å; A8-I49 WeakPolarHBondContact O-CG1 3.3Å; A8-I49 PolarHBondContact O-N 3.31Å; A8-V51 HydrophobicContact CB-CG1 4.06Å; A8-V51 HydrophobicContact CB-CG2 4.17Å
9Q93.9Very high87.7Confident42 Ų4269.2 Ų69.220%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-106.7132.3170178.7165.45600110.3I11 A21 M22 F24 S46 D47 I48 K86Q9-I11 PolarHBondContact O-N 3.33Å; Q9-A21 CarbonylContact O-C 3.49Å; Q9-A21 WeakPolarHBondContact O-CA 3.42Å; Q9-A21 WeakPolarHBondContact O-CB 3.19Å; Q9-M22 PolarHBondContact N-O 2.86Å; Q9-M22 PolarHBondContact O-N 3.26Å; Q9-F24 HydrophobicContact CB-CZ 4.24Å; Q9-S46 PolarHBondContact NE2-O 3.46Å; Q9-D47 WeakPolarHBondContact CA-O 3.43Å; Q9-I48 HydrophobicContact CB-CD1 3.97Å; Q9-I48 HydrophobicContact CG-CD1 4.12Å; Q9-K86 PolarHBondContact NE2-O 2.89Å
10V94.5Very high88.1Confident1 Ų167.4 Ų67.41%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-68.2123.6177.3-177.70000110.1M13 L19 I43 N44 S46 D47 I49V10-M13 HydrophobicContact CG1-SD 4.11Å; V10-L19 HydrophobicContact CG1-CB 4.46Å; V10-L19 HydrophobicContact CG1-CD1 4.3Å; V10-L19 HydrophobicContact CG1-CD2 4.46Å; V10-L19 HydrophobicContact CG2-CD1 4.17Å; V10-L19 HydrophobicContact CG2-CD2 4.18Å; V10-I43 HydrophobicContact CG2-CG2 3.76Å; V10-N44 WeakPolarHBondContact CB-O 3.43Å; V10-N44 WeakPolarHBondContact CG1-O 3.49Å; V10-S46 WeakPolarHBondContact O-CA 3.44Å; V10-S46 PolarHBondContact O-N 2.71Å; V10-D47 HydrophobicContact CG2-CB 4.35Å; V10-D47 PolarHBondContact N-O 3.21Å; V10-I49 HydrophobicContact CG2-CD1 3.92Å; V10-I49 HydrophobicContact CG2-CG1 4.21Å; V10-I49 HydrophobicContact CG2-CG2 4.03Å
11I94.6Very high88.5Confident68 Ų6864.2 Ų64.235%0.34932%0.321SS..EExtended strand (participates in β ladder)trans-89.7-52.3175.5-58.4169.6000109.8Q9 E20 M22 K28Q9-I11 PolarHBondContact O-N 3.33Å; I11-E20 HydrophobicContact CD1-CG 4.32Å; I11-E20 PolarHBondContact N-O 2.83Å; I11-M22 HydrophobicContact CD1-CB 3.67Å; I11-M22 HydrophobicContact CG1-CB 3.87Å; I11-K28 HydrophobicContact CD1-CD 3.93Å; I11-K28 HydrophobicContact CD1-CG 4Å
12K94.6Very high90.4Very high97 Ų9761 Ų6142%0.42231%0.305SS..EExtended strand (participates in β ladder)trans-151.9147.1-176.666.2-179-154.9-136.90112.3L14 L19 E20K12-L14 HydrophobicContact CD-CD2 4.31Å; K12-L14 HydrophobicContact CG-CD2 4.35Å; K12-L19 WeakPolarHBondContact O-CA 3.4Å; K12-E20 WeakPolarHBondContact CD-OE2 3.47Å; K12-E20 WeakPolarHBondContact CE-OE2 3.46Å; K12-E20 HydrophobicContact CG-CB 3.77Å; K12-E20 PolarHBondContact N-O 3.06Å; K12-E20 IonicContact NZ-OE2 2.62Å; K12-E20 PolarHBondContact NZ-OE2 3.48Å; K12-E20 PolarHBondContact O-N 2.94Å
13M94.4Very high92.2Very high82 Ų8257.1 Ų57.140%0.40428%0.28SS..EExtended strand (participates in β ladder)trans-84.4134.3171.6-61.9-60.4-79.700109.6V10 L19 I33 I43 T45V10-M13 HydrophobicContact CG1-SD 4.11Å; M13-L19 HydrophobicContact SD-CB 3.75Å; M13-L19 HydrophobicContact SD-CD2 4.1Å; M13-I33 HydrophobicContact CE-CD1 4.22Å; M13-I43 VanDerWaalsContact CE-O 3.27Å; M13-I43 WeakPolarHBondContact CE-O 3.47Å; M13-T45 HydrophobicContact CG-CG2 4.43Å
14L93.8Very high93.2Very high79 Ų7949.3 Ų49.341%0.41425%0.247SC..EExtended strand (participates in β ladder)trans-104.3-4.4-179.8-64174.3000112.9K12 R18 E20 L30K12-L14 HydrophobicContact CD-CD2 4.31Å; K12-L14 HydrophobicContact CG-CD2 4.35Å; L14-R18 HydrophobicContact CB-CB 4.09Å; L14-R18 WeakPolarHBondContact CB-O 3.39Å; L14-R18 HydrophobicContact CD1-CB 4.47Å; L14-R18 PolarHBondContact N-O 3.49Å; L14-E20 HydrophobicContact CD1-CB 4.47Å; L14-L30 HydrophobicContact CD1-CD2 3.28Å
15G91.8Very high93.3Very high41 Ų4149.8 Ų49.842%0.42325%0.249SC..EExtended strand (participates in β ladder)trans76.8173.7-174.300000113.1G17 R18G15-G17 PolarHBondContact O-N 2.96Å; G15-R18 PolarHBondContact N-O 2.95Å; G15-R18 PolarHBondContact O-N 2.81Å
16N91.1Very high93.2Very high119 Ų11948.3 Ų48.364%0.63626%0.257SS*.THydrogen-bonded Turntrans47.438-174.1-1659.7000112.7R18 R38N16-R18 VanDerWaalsContact C-N 3.28Å; N16-R18 PolarHBondContact O-N 3.07Å; N16-R38 VanDerWaalsContact C-NH2 3.34Å; N16-R38 PolarHBondContact O-NH2 2.99Å
17G90.4Very high93.2Very high14 Ų1448.2 Ų48.214%0.14426%0.259CS..THydrogen-bonded Turntrans45.543.4-172.200000115.8G15 I33 R38G15-G17 PolarHBondContact O-N 2.96Å; G17-I33 WeakPolarHBondContact O-CB 3.37Å; G17-I33 WeakPolarHBondContact O-CG1 3.41Å; G17-I33 PolarHBondContact O-N 3.37Å; G17-R38 PolarHBondContact O-NH2 2.78Å
18R94.4Very high93.3Very high130 Ų13052.9 Ų52.949%0.49128%0.28SS..EExtended strand (participates in β ladder)trans-110.3150.1160-63178.7-177.3116.81.3108.7L14 G15 N16 C31L14-R18 HydrophobicContact CB-CB 4.09Å; L14-R18 WeakPolarHBondContact CB-O 3.39Å; L14-R18 HydrophobicContact CD1-CB 4.47Å; L14-R18 PolarHBondContact N-O 3.49Å; G15-R18 PolarHBondContact N-O 2.95Å; G15-R18 PolarHBondContact O-N 2.81Å; N16-R18 VanDerWaalsContact C-N 3.28Å; N16-R18 PolarHBondContact O-N 3.07Å; R18-C31 WeakPolarHBondContact CA-O 3.48Å
19L95.9Very high93.3Very high0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-145161174.463.884.2000109.8V10 K12 M13 A21 C31 I33 I43 I49 V63V10-L19 HydrophobicContact CG1-CB 4.46Å; V10-L19 HydrophobicContact CG1-CD1 4.3Å; V10-L19 HydrophobicContact CG1-CD2 4.46Å; V10-L19 HydrophobicContact CG2-CD1 4.17Å; V10-L19 HydrophobicContact CG2-CD2 4.18Å; K12-L19 WeakPolarHBondContact O-CA 3.4Å; M13-L19 HydrophobicContact SD-CB 3.75Å; M13-L19 HydrophobicContact SD-CD2 4.1Å; L19-A21 HydrophobicContact CD1-CB 3.77Å; L19-C31 HydrophobicContact CD1-CB 3.57Å; L19-C31 HydrophobicContact CG-CB 4.02Å; L19-C31 PolarHBondContact N-O 2.91Å; L19-C31 PolarHBondContact O-N 3.01Å; L19-I33 HydrophobicContact CD2-CD1 4.04Å; L19-I33 HydrophobicContact CD2-CG1 3.94Å; L19-I43 HydrophobicContact CD2-CG2 3.87Å; L19-I49 HydrophobicContact CD1-CD1 4Å; L19-V63 HydrophobicContact CD2-CG2 4.23Å
20E96.4Very high93.4Very high34 Ų3455.4 Ų55.416%0.15929%0.294CS..EExtended strand (participates in β ladder)trans-104129168.7-173.8-179.8167.900108.3I11 K12 L14I11-E20 HydrophobicContact CD1-CG 4.32Å; I11-E20 PolarHBondContact N-O 2.83Å; K12-E20 WeakPolarHBondContact CD-OE2 3.47Å; K12-E20 WeakPolarHBondContact CE-OE2 3.46Å; K12-E20 HydrophobicContact CG-CB 3.77Å; K12-E20 PolarHBondContact N-O 3.06Å; K12-E20 IonicContact NZ-OE2 2.62Å; K12-E20 PolarHBondContact NZ-OE2 3.48Å; K12-E20 PolarHBondContact O-N 2.94Å; L14-E20 HydrophobicContact CD1-CB 4.47Å
21A96.1Very high93.5Very high0 Ų055.4 Ų55.40%029%0.294CS..EExtended strand (participates in β ladder)trans-126.7144.4178.200000111.1A8 Q9 L19 K28 R29 I49A8-A21 HydrophobicContact CB-CB 3.8Å; Q9-A21 CarbonylContact O-C 3.49Å; Q9-A21 WeakPolarHBondContact O-CA 3.42Å; Q9-A21 WeakPolarHBondContact O-CB 3.19Å; L19-A21 HydrophobicContact CD1-CB 3.77Å; A21-K28 WeakPolarHBondContact O-CA 3.29Å; A21-R29 PolarHBondContact N-O 2.74Å; A21-R29 PolarHBondContact O-N 2.69Å; A21-I49 HydrophobicContact CB-CD1 4.09Å
22M94.9Very high93.5Very high64 Ų6455.3 Ų55.332%0.31529%0.292SS..EExtended strand (participates in β ladder)trans-88.4109169.9-173.171.1-169.300107.3A8 Q9 I11 G26 K28A8-M22 CarbonylContact C-O 3.53Å; A8-M22 VanDerWaalsContact CA-O 3.25Å; A8-M22 WeakPolarHBondContact CA-O 3.3Å; A8-M22 WeakPolarHBondContact CB-O 2.95Å; Q9-M22 PolarHBondContact N-O 2.86Å; Q9-M22 PolarHBondContact O-N 3.26Å; I11-M22 HydrophobicContact CD1-CB 3.67Å; I11-M22 HydrophobicContact CG1-CB 3.87Å; M22-G26 VanDerWaalsContact CE-C 3.43Å; M22-G26 WeakPolarHBondContact CE-O 3.48Å; M22-K28 HydrophobicContact SD-CD 4.26Å; M22-K28 HydrophobicContact SD-CG 3.4Å; M22-K28 WeakPolarHBondContact SD-CG 3.42Å
23C93.2Very high93.5Very high1 Ų151.3 Ų51.31%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-73.2148.3173-65.90000109.9E6 Y7 A8 D25 G26 V27 R29E6-C23 HydrophobicContact CG-CB 4.07Å; Y7-C23 WeakPolarHBondContact O-CA 3.25Å; A8-C23 HydrophobicContact CB-CB 4.36Å; C23-D25 WeakPolarHBondContact CB-OD1 3.25Å; C23-D25 PolarHBondContact O-N 3Å; C23-G26 PolarHBondContact O-N 3.24Å; C23-V27 VanDerWaalsContact CB-O 3.3Å; C23-V27 WeakPolarHBondContact CB-O 3.36Å; C23-V27 PolarHBondContact N-O 2.79Å; C23-R29 PolarHBondContact SG-NH1 2.95Å
24F90.4Very high93.3Very high52 Ų5253.7 Ų53.723%0.22828%0.28CS..THydrogen-bonded Turntrans-73.9-5.6-178.2-72.6-74.1000113.7Y7 Q9 G26 I48 L81 P82 A85Y7-F24 VanDerWaalsContact C-CD2 3.46Å; Y7-F24 VanDerWaalsContact CB-CD2 3.48Å; Y7-F24 WeakPolarHBondContact O-CD2 3.35Å; Y7-F24 PolarHBondContact O-N 3.45Å; Q9-F24 HydrophobicContact CB-CZ 4.24Å; F24-G26 PolarHBondContact O-N 3.05Å; F24-I48 HydrophobicContact CE2-CD1 4.36Å; F24-I48 HydrophobicContact CZ-CD1 4.06Å; F24-L81 HydrophobicContact CD2-CD2 3.66Å; F24-L81 HydrophobicContact CE1-CD2 4.32Å; F24-L81 HydrophobicContact CE2-CD2 3.38Å; F24-L81 HydrophobicContact CG-CD2 4.25Å; F24-L81 HydrophobicContact CZ-CD2 3.74Å; F24-P82 HydrophobicContact CD1-CG 3.5Å; F24-P82 VanDerWaalsContact CD1-CG 3.5Å; F24-P82 HydrophobicContact CE1-CG 3.79Å; F24-A85 HydrophobicContact CE1-CB 3.98Å; F24-A85 HydrophobicContact CZ-CB 4.14Å
25D89Confident93.1Very high70 Ų7052.3 Ų52.337%0.37429%0.285SS..THydrogen-bonded Turntrans-76.8-2.8164.968.5-8.4000113.6E6 C23 V27 R29E6-D25 HydrophobicContact CG-CB 4.43Å; C23-D25 WeakPolarHBondContact CB-OD1 3.25Å; C23-D25 PolarHBondContact O-N 3Å; D25-V27 PolarHBondContact OD1-N 3.04Å; D25-R29 IonicContact OD1-CZ 3.93Å; D25-R29 IonicContact OD1-NH1 2.95Å; D25-R29 PolarHBondContact OD1-NH1 3.17Å; D25-R29 IonicContact OD2-CZ 3.15Å; D25-R29 IonicContact OD2-NH1 2.73Å; D25-R29 PolarHBondContact OD2-NH1 3.05Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 2.81Å
26G88.8Confident92.9Very high50 Ų5058.2 Ų58.252%0.51530%0.299SS..SBendtrans96.3-0.9177.700000114.8M22 C23 F24M22-G26 VanDerWaalsContact CE-C 3.43Å; M22-G26 WeakPolarHBondContact CE-O 3.48Å; C23-G26 PolarHBondContact O-N 3.24Å; F24-G26 PolarHBondContact O-N 3.05Å
27V91.9Very high92.7Very high46 Ų4653.5 Ų53.528%0.27927%0.273SS..  trans-101.8135.6-176-179.10000111.3C23 D25 R29C23-V27 VanDerWaalsContact CB-O 3.3Å; C23-V27 WeakPolarHBondContact CB-O 3.36Å; C23-V27 PolarHBondContact N-O 2.79Å; D25-V27 PolarHBondContact OD1-N 3.04Å; V27-R29 HydrophobicContact CG1-CG 4Å
28K95.1Very high92.3Very high121 Ų12157.9 Ų57.953%0.52629%0.286SS..EExtended strand (participates in β ladder)trans-85.2123.7170.7-67.1-176.9-176.8-178.90109.9I11 A21 M22I11-K28 HydrophobicContact CD1-CD 3.93Å; I11-K28 HydrophobicContact CD1-CG 4Å; A21-K28 WeakPolarHBondContact O-CA 3.29Å; M22-K28 HydrophobicContact SD-CD 4.26Å; M22-K28 HydrophobicContact SD-CG 3.4Å; M22-K28 WeakPolarHBondContact SD-CG 3.42Å
29R95.1Very high91.7Very high5 Ų561.2 Ų61.22%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-121.7147.1-178.6-62.5-173.3175.587.8-0.8111.6A21 C23 D25 V27 C31 D58 A61A21-R29 PolarHBondContact N-O 2.74Å; A21-R29 PolarHBondContact O-N 2.69Å; C23-R29 PolarHBondContact SG-NH1 2.95Å; D25-R29 IonicContact OD1-CZ 3.93Å; D25-R29 IonicContact OD1-NH1 2.95Å; D25-R29 PolarHBondContact OD1-NH1 3.17Å; D25-R29 IonicContact OD2-CZ 3.15Å; D25-R29 IonicContact OD2-NH1 2.73Å; D25-R29 PolarHBondContact OD2-NH1 3.05Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 2.81Å; V27-R29 HydrophobicContact CG1-CG 4Å; R29-C31 PolarHBondContact O-N 3.22Å; R29-D58 WeakPolarHBondContact CD-O 3.4Å; R29-D58 WeakPolarHBondContact CG-O 3.47Å; R29-D58 IonicContact CZ-OD1 3.29Å; R29-D58 VanDerWaalsContact CZ-OD1 3.29Å; R29-D58 PolarHBondContact NE-O 2.96Å; R29-D58 IonicContact NE-OD1 3.05Å; R29-D58 PolarHBondContact NE-OD1 2.73Å; R29-D58 VanDerWaalsContact NH2-CG 3.34Å; R29-D58 IonicContact NH2-OD1 2.74Å; R29-D58 PolarHBondContact NH2-OD1 3.03Å; R29-D58 IonicContact NH2-OD2 3.22Å; R29-D58 PolarHBondContact NH2-OD2 3.06Å; R29-A61 HydrophobicContact CB-CB 4.44Å
30L95.8Very high91.1Very high89 Ų8968.7 Ų68.747%0.46634%0.336SS..EExtended strand (participates in β ladder)trans-83111.6168.6-75.8165.7000108.8L14 N59 K60 A61L14-L30 HydrophobicContact CD1-CD2 3.28Å; L30-N59 PolarHBondContact N-O 3.44Å; L30-K60 WeakPolarHBondContact O-CA 3.02Å; L30-A61 PolarHBondContact O-N 2.72Å
31C96.2Very high90.7Very high1 Ų169.5 Ų69.51%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-100.1138.3-176.6-53.10000111.4R18 L19 R29 A61 V63R18-C31 WeakPolarHBondContact CA-O 3.48Å; L19-C31 HydrophobicContact CD1-CB 3.57Å; L19-C31 HydrophobicContact CG-CB 4.02Å; L19-C31 PolarHBondContact N-O 2.91Å; L19-C31 PolarHBondContact O-N 3.01Å; R29-C31 PolarHBondContact O-N 3.22Å; C31-A61 CarbonylContact C-O 3.56Å; C31-A61 VanDerWaalsContact CA-O 3.25Å; C31-A61 WeakPolarHBondContact CA-O 3.36Å; C31-V63 HydrophobicContact CB-CG2 3.78Å
32H94.9Very high90.4Very high67 Ų6779.8 Ų79.831%0.3138%0.382SS..EExtended strand (participates in β ladder)trans-104.9125.7172.7-178.2-103.1000110.8R34 R38 A61 D62 V63H32-R34 PolarHBondContact O-N 3.46Å; H32-R38 PolarHBondContact NE2-NH2 3.5Å; H32-A61 PolarHBondContact N-O 2.8Å; H32-D62 IonicContact ND1-OD1 3.81Å; H32-D62 WeakPolarHBondContact O-CA 3.4Å; H32-V63 PolarHBondContact O-N 2.99Å
33I94.4Very high90.1Very high12 Ų1277.3 Ų77.36%0.06237%0.37CS..EExtended strand (participates in β ladder)trans-76.2115.6-179.5-52.8172.9000108.7M13 G17 L19 G35 L37 R38 I43 V63M13-I33 HydrophobicContact CE-CD1 4.22Å; G17-I33 WeakPolarHBondContact O-CB 3.37Å; G17-I33 WeakPolarHBondContact O-CG1 3.41Å; G17-I33 PolarHBondContact O-N 3.37Å; L19-I33 HydrophobicContact CD2-CD1 4.04Å; L19-I33 HydrophobicContact CD2-CG1 3.94Å; I33-G35 PolarHBondContact O-N 3Å; I33-L37 HydrophobicContact CG2-CB 3.96Å; I33-R38 HydrophobicContact CB-CG 4.17Å; I33-R38 HydrophobicContact CG2-CG 3.75Å; I33-R38 PolarHBondContact O-NE 3Å; I33-I43 HydrophobicContact CD1-CD1 4.24Å; I33-I43 HydrophobicContact CG1-CD1 4.3Å; I33-I43 HydrophobicContact CG2-CD1 4.12Å; I33-V63 HydrophobicContact CG1-CG2 4.24Å
34R90.1Very high90Very high133 Ų13380.8 Ų80.850%0.50239%0.389SS..  trans-55.6139176.6-74.2177.275.1157.32.6110.2H32 K36 L37 R38 D62 V63H32-R34 PolarHBondContact O-N 3.46Å; R34-K36 PolarHBondContact O-N 2.84Å; R34-L37 HydrophobicContact CB-CD1 4.44Å; R34-L37 PolarHBondContact O-N 2.75Å; R34-R38 PolarHBondContact O-N 3.47Å; R34-D62 HydrophobicContact CG-CB 4.45Å; R34-V63 WeakPolarHBondContact CB-O 3.41Å; R34-V63 WeakPolarHBondContact CD-O 3.37Å; R34-V63 WeakPolarHBondContact CG-O 3.42Å
35G88.9Confident90.1Very high50 Ų5081.6 Ų81.652%0.51540%0.398SS..Hα-helixtrans-54.9-31.8-176.200000114.3I33 L37 R38I33-G35 PolarHBondContact O-N 3Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; G35-R38 PolarHBondContact O-N 2.96Å
36K88.1Confident90.2Very high165 Ų16580.7 Ų80.772%0.71740%0.397SS*.Hα-helixtrans-60.8-36.1175.6-171.7176.8-180-179.10112.8R34R34-K36 PolarHBondContact O-N 2.84Å
37L86.1Confident90.4Very high19 Ų1978.8 Ų78.810%0.09938%0.375CS..Hα-helixtrans-79.6-36.4-179.4-86.172.7000111.6I33 R34 G35 K39 K40 V41 I43 V63 I64I33-L37 HydrophobicContact CG2-CB 3.96Å; R34-L37 HydrophobicContact CB-CD1 4.44Å; R34-L37 PolarHBondContact O-N 2.75Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; L37-K39 PolarHBondContact O-N 3.42Å; L37-K40 PolarHBondContact O-N 2.96Å; L37-V41 PolarHBondContact O-N 2.8Å; L37-I43 HydrophobicContact CD2-CD1 4.46Å; L37-V63 HydrophobicContact CD2-CG1 3.97Å; L37-I64 WeakPolarHBondContact CD1-O 3.16Å
38R83.4Confident90.4Very high107 Ų10776.8 Ų76.840%0.40436%0.362SS..Hα-helixtrans-54-26.7-177-70.6-176.6174.3-128.711.4114.9N16 G17 H32 I33 R34 G35N16-R38 VanDerWaalsContact C-NH2 3.34Å; N16-R38 PolarHBondContact O-NH2 2.99Å; G17-R38 PolarHBondContact O-NH2 2.78Å; H32-R38 PolarHBondContact NE2-NH2 3.5Å; I33-R38 HydrophobicContact CB-CG 4.17Å; I33-R38 HydrophobicContact CG2-CG 3.75Å; I33-R38 PolarHBondContact O-NE 3Å; R34-R38 PolarHBondContact O-N 3.47Å; G35-R38 PolarHBondContact O-N 2.96Å
39K80.7Confident90.3Very high199 Ų19971 Ų7187%0.86534%0.337SS*.THydrogen-bonded Turntrans-93.5-17.6179.9-67.6-170.2175-171.50114.1L37L37-K39 PolarHBondContact O-N 3.42Å
40K84.8Confident90.3Very high158 Ų15871.4 Ų71.469%0.68734%0.34SS*.THydrogen-bonded Turntrans-118.5-26.3-168.2-68.1-164.2172.7-150.90113.8L37L37-K40 PolarHBondContact O-N 2.96Å
41V87.4Confident90.2Very high50 Ų5067.1 Ų67.130%0.30332%0.317SS..  trans-134.6123.6-167.5-177.70000109.2L37 I43 K66L37-V41 PolarHBondContact O-N 2.8Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; V41-K66 HydrophobicContact CG1-CB 3.72Å; V41-K66 HydrophobicContact CG1-CD 3.38Å; V41-K66 HydrophobicContact CG1-CG 4.18Å
42W88.3Confident90.2Very high217 Ų21767.6 Ų67.682%0.82232%0.322SS*.  trans-87.1127.1170.3-70.776.9000109.2K66W42-K66 WeakPolarHBondContact O-CD 3.27Å; W42-K66 PolarHBondContact O-NZ 2.84Å
43I90.5Very high90Very high11 Ų1166 Ų666%0.05632%0.316CS..  trans-113.3125179.8-59.1174.2000107.5V10 M13 L19 I33 L37 V41 I49 V63V10-I43 HydrophobicContact CG2-CG2 3.76Å; M13-I43 VanDerWaalsContact CE-O 3.27Å; M13-I43 WeakPolarHBondContact CE-O 3.47Å; L19-I43 HydrophobicContact CD2-CG2 3.87Å; I33-I43 HydrophobicContact CD1-CD1 4.24Å; I33-I43 HydrophobicContact CG1-CD1 4.3Å; I33-I43 HydrophobicContact CG2-CD1 4.12Å; L37-I43 HydrophobicContact CD2-CD1 4.46Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; I43-I49 HydrophobicContact CG2-CG2 4.3Å; I43-V63 HydrophobicContact CD1-CG1 3.99Å
44N90.6Very high89.8Confident75 Ų7568.2 Ų68.240%0.40132%0.323SS..  trans-113.7172.7179.2-69.7-50.4000111.3V10 D47V10-N44 WeakPolarHBondContact CB-O 3.43Å; V10-N44 WeakPolarHBondContact CG1-O 3.49Å; N44-D47 PolarHBondContact N-OD2 2.95Å; N44-D47 WeakPolarHBondContact O-CB 3.38Å; N44-D47 PolarHBondContact O-N 3.29Å
45T91.9Very high89.6Confident68 Ų6868.7 Ų68.742%0.41734%0.336SS..THydrogen-bonded Turntrans-64.1143.9171.849.80000111M13 D47 N88M13-T45 HydrophobicContact CG-CG2 4.43Å; T45-D47 PolarHBondContact O-N 2.84Å; T45-N88 PolarHBondContact O-ND2 2.87Å
46S91.2Very high89.3Confident51 Ų5174.2 Ų74.236%0.35734%0.342SS..THydrogen-bonded Turntrans72.2-0.2-176.3-54.10000116.4Q9 V10Q9-S46 PolarHBondContact NE2-O 3.46Å; V10-S46 WeakPolarHBondContact O-CA 3.44Å; V10-S46 PolarHBondContact O-N 2.71Å
47D92.1Very high89.3Confident10 Ų1070 Ų705%0.05333%0.325CS..  trans-66.3148.9172.5-70-2.7000111.7Q9 V10 N44 T45 K66Q9-D47 WeakPolarHBondContact CA-O 3.43Å; V10-D47 HydrophobicContact CG2-CB 4.35Å; V10-D47 PolarHBondContact N-O 3.21Å; N44-D47 PolarHBondContact N-OD2 2.95Å; N44-D47 WeakPolarHBondContact O-CB 3.38Å; N44-D47 PolarHBondContact O-N 3.29Å; T45-D47 PolarHBondContact O-N 2.84Å; D47-K66 WeakPolarHBondContact OD2-CE 3.21Å; D47-K66 IonicContact OD2-NZ 3.67Å
48I92.9Very high89.4Confident4 Ų472.8 Ų72.82%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-92.4128.6173.6-54.6-55000109.1Q9 F24 Y67 A72 L81Q9-I48 HydrophobicContact CB-CD1 3.97Å; Q9-I48 HydrophobicContact CG-CD1 4.12Å; F24-I48 HydrophobicContact CE2-CD1 4.36Å; F24-I48 HydrophobicContact CZ-CD1 4.06Å; I48-Y67 HydrophobicContact CG2-CD2 4.09Å; I48-Y67 PolarHBondContact O-N 2.87Å; I48-A72 HydrophobicContact CB-CB 4.21Å; I48-A72 HydrophobicContact CG1-CB 3.87Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å
49I93.8Very high89.8Confident0 Ų073.3 Ų73.30%035%0.351CS..EExtended strand (participates in β ladder)trans-132.1153.3-175.859.7167.1000111.2A8 V10 L19 A21 I43 V51 V63 L65 K66A8-I49 HydrophobicContact CB-CG1 4.09Å; A8-I49 PolarHBondContact N-O 3.21Å; A8-I49 WeakPolarHBondContact O-CG1 3.3Å; A8-I49 PolarHBondContact O-N 3.31Å; V10-I49 HydrophobicContact CG2-CD1 3.92Å; V10-I49 HydrophobicContact CG2-CG1 4.21Å; V10-I49 HydrophobicContact CG2-CG2 4.03Å; L19-I49 HydrophobicContact CD1-CD1 4Å; A21-I49 HydrophobicContact CB-CD1 4.09Å; I43-I49 HydrophobicContact CG2-CG2 4.3Å; I49-V51 HydrophobicContact CD1-CG1 3.7Å; I49-V51 HydrophobicContact CG1-CG1 4.1Å; I49-V63 HydrophobicContact CB-CG1 4.25Å; I49-V63 HydrophobicContact CD1-CG1 4.24Å; I49-V63 HydrophobicContact CD1-CG2 4.02Å; I49-V63 HydrophobicContact CG2-CG1 4.44Å; I49-L65 CarbonylContact C-O 3.57Å; I49-L65 WeakPolarHBondContact CA-O 3.44Å; I49-K66 HydrophobicContact CG2-CB 4.43Å
50L94.1Very high90.4Very high13 Ų1368 Ų687%0.06833%0.328CS..EExtended strand (participates in β ladder)trans-95122.9167.2-170.564.6000109M1 K5 Y7 I64 L65 Y67M1-L50 HydrophobicContact CE-CD1 3.98Å; K5-L50 HydrophobicContact CB-CD1 4.13Å; K5-L50 HydrophobicContact CD-CD2 3.95Å; K5-L50 HydrophobicContact CD-CG 4.38Å; Y7-L50 HydrophobicContact CD1-CD1 3.91Å; Y7-L50 HydrophobicContact CE1-CD1 3.91Å; L50-I64 HydrophobicContact CB-CB 4.48Å; L50-I64 HydrophobicContact CD2-CB 4.41Å; L50-I64 HydrophobicContact CD2-CG2 4.3Å; L50-I64 HydrophobicContact CG-CB 4.43Å; L50-I64 PolarHBondContact O-N 3.33Å; L50-L65 HydrophobicContact CB-CB 4.08Å; L50-L65 PolarHBondContact N-O 3.34Å; L50-L65 PolarHBondContact O-N 3.27Å; L50-Y67 HydrophobicContact CB-CE2 3.87Å
51V94.7Very high90.9Very high0 Ų060.4 Ų60.40%030%0.295CS..EExtended strand (participates in β ladder)trans-108.4144.3176-61.50000111K5 E6 A8 I49 A61 D62K5-V51 CarbonylContact C-O 3.6Å; K5-V51 WeakPolarHBondContact CA-O 3.43Å; E6-V51 HydrophobicContact CB-CG2 4.1Å; E6-V51 PolarHBondContact N-O 3.29Å; E6-V51 WeakPolarHBondContact O-CG2 3.36Å; E6-V51 PolarHBondContact O-N 2.93Å; A8-V51 HydrophobicContact CB-CG1 4.06Å; A8-V51 HydrophobicContact CB-CG2 4.17Å; I49-V51 HydrophobicContact CD1-CG1 3.7Å; I49-V51 HydrophobicContact CG1-CG1 4.1Å; V51-A61 HydrophobicContact CB-CB 3.9Å; V51-A61 HydrophobicContact CG2-CB 4.22Å; V51-D62 CarbonylContact C-O 3.55Å; V51-D62 WeakPolarHBondContact CA-O 3.44Å
52G94.4Very high91.2Very high10 Ų1059.9 Ų59.910%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-94.7122.7167.900000109.6N4 A61 D62N4-G52 WeakPolarHBondContact O-CA 3.36Å; G52-A61 CarbonylContact O-C 3.58Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.19Å; G52-A61 WeakPolarHBondContact O-CB 3.2Å; G52-D62 PolarHBondContact N-O 3.23Å; G52-D62 PolarHBondContact O-N 2.76Å
53L92.4Very high91.5Very high33 Ų3349.6 Ų49.617%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-75.8160.5176.5-58.8179.2000110.4N4 E6 A61N4-L53 PolarHBondContact ND2-O 3.38Å; N4-L53 VanDerWaalsContact ND2-O 3.17Å; N4-L53 PolarHBondContact O-N 2.77Å; N4-L53 WeakPolarHBondContact OD1-CB 3.5Å; E6-L53 HydrophobicContact CB-CD1 4.22Å; E6-L53 HydrophobicContact CB-CD2 4.28Å; E6-L53 HydrophobicContact CB-CG 4.28Å; L53-A61 HydrophobicContact CD2-CB 4.48Å
54R89.6Confident91.6Very high60 Ų6051 Ų5123%0.22626%0.258CS..  trans-117.8127.6176.9-64.9177.9178.1-169.74109.1Y56 Q57 D62R54-Y56 HydrophobicContact CB-CD1 4.4Å; R54-Y56 HydrophobicContact CB-CE1 4.1Å; R54-Y56 PolarHBondContact O-N 2.83Å; R54-Q57 PolarHBondContact O-N 2.98Å; R54-D62 IonicContact CZ-OD2 3.24Å; R54-D62 VanDerWaalsContact CZ-OD2 3.24Å; R54-D62 IonicContact NE-OD2 2.81Å; R54-D62 PolarHBondContact NE-OD2 2.87Å; R54-D62 VanDerWaalsContact NH2-CG 3.29Å; R54-D62 IonicContact NH2-OD1 2.76Å; R54-D62 PolarHBondContact NH2-OD1 2.99Å; R54-D62 IonicContact NH2-OD2 3.6Å; R54-D62 PolarHBondContact NH2-OD2 2.87Å
55D85.4Confident91.7Very high143 Ų14351.2 Ų51.277%0.76526%0.259SS*.THydrogen-bonded Turntrans-60.1-25.8-175.4-51.1-23.6000113.7N4N4-D55 PolarHBondContact ND2-OD1 2.94Å; N4-D55 PolarHBondContact OD1-OD1 3.05Å
56Y83.4Confident91.7Very high166 Ų16648.9 Ų48.965%0.65124%0.243SC*.THydrogen-bonded Turntrans-106.2-12.4-17361.3-89.1000114.3R54R54-Y56 HydrophobicContact CB-CD1 4.4Å; R54-Y56 HydrophobicContact CB-CE1 4.1Å; R54-Y56 PolarHBondContact O-N 2.83Å
57Q87.6Confident91.7Very high75 Ų7548 Ų4835%0.3523%0.233SC..  trans-147.582.7-175.9-88176.827.700109.9R54 N59 K60R54-Q57 PolarHBondContact O-N 2.98Å; Q57-N59 PolarHBondContact O-N 2.9Å; Q57-K60 PolarHBondContact O-N 3.36Å; Q57-K60 VanDerWaalsContact O-O 3.04Å
58D88.6Confident91.6Very high79 Ų7950.5 Ų50.542%0.42225%0.246SC..THydrogen-bonded Turntrans-62.6-27.4-178.3-169.236000113.2R29 K60R29-D58 WeakPolarHBondContact CD-O 3.4Å; R29-D58 WeakPolarHBondContact CG-O 3.47Å; R29-D58 IonicContact CZ-OD1 3.29Å; R29-D58 VanDerWaalsContact CZ-OD1 3.29Å; R29-D58 PolarHBondContact NE-O 2.96Å; R29-D58 IonicContact NE-OD1 3.05Å; R29-D58 PolarHBondContact NE-OD1 2.73Å; R29-D58 VanDerWaalsContact NH2-CG 3.34Å; R29-D58 IonicContact NH2-OD1 2.74Å; R29-D58 PolarHBondContact NH2-OD1 3.03Å; R29-D58 IonicContact NH2-OD2 3.22Å; R29-D58 PolarHBondContact NH2-OD2 3.06Å; D58-K60 PolarHBondContact O-N 3.17Å
59N91.6Very high91.3Very high117 Ų11750.9 Ų50.963%0.62625%0.25SC*.THydrogen-bonded Turntrans-66.6-7.9175.5-66.4-46.2000114.2L30 Q57L30-N59 PolarHBondContact N-O 3.44Å; Q57-N59 PolarHBondContact O-N 2.9Å
60K93.5Very high91Very high87 Ų8755.8 Ų55.838%0.37828%0.276SS..EExtended strand (participates in β ladder)trans-128.1141.5-178.1-63.3-172-167154.90111.5L30 Q57 D58L30-K60 WeakPolarHBondContact O-CA 3.02Å; Q57-K60 PolarHBondContact O-N 3.36Å; Q57-K60 VanDerWaalsContact O-O 3.04Å; D58-K60 PolarHBondContact O-N 3.17Å
61A95.3Very high90.8Very high0 Ų059.5 Ų59.50%029%0.293CS..EExtended strand (participates in β ladder)trans-139.2167.2176.800000111R29 L30 C31 H32 V51 G52 L53R29-A61 HydrophobicContact CB-CB 4.44Å; L30-A61 PolarHBondContact O-N 2.72Å; C31-A61 CarbonylContact C-O 3.56Å; C31-A61 VanDerWaalsContact CA-O 3.25Å; C31-A61 WeakPolarHBondContact CA-O 3.36Å; H32-A61 PolarHBondContact N-O 2.8Å; V51-A61 HydrophobicContact CB-CB 3.9Å; V51-A61 HydrophobicContact CG2-CB 4.22Å; G52-A61 CarbonylContact O-C 3.58Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.19Å; G52-A61 WeakPolarHBondContact O-CB 3.2Å; L53-A61 HydrophobicContact CD2-CB 4.48Å
62D94.2Very high90.5Very high39 Ų3959.6 Ų59.621%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-117.4132.2175.2-67.7-80.5000110.1H32 R34 V51 G52 R54 I64H32-D62 IonicContact ND1-OD1 3.81Å; H32-D62 WeakPolarHBondContact O-CA 3.4Å; R34-D62 HydrophobicContact CG-CB 4.45Å; V51-D62 CarbonylContact C-O 3.55Å; V51-D62 WeakPolarHBondContact CA-O 3.44Å; G52-D62 PolarHBondContact N-O 3.23Å; G52-D62 PolarHBondContact O-N 2.76Å; R54-D62 IonicContact CZ-OD2 3.24Å; R54-D62 VanDerWaalsContact CZ-OD2 3.24Å; R54-D62 IonicContact NE-OD2 2.81Å; R54-D62 PolarHBondContact NE-OD2 2.87Å; R54-D62 VanDerWaalsContact NH2-CG 3.29Å; R54-D62 IonicContact NH2-OD1 2.76Å; R54-D62 PolarHBondContact NH2-OD1 2.99Å; R54-D62 IonicContact NH2-OD2 3.6Å; R54-D62 PolarHBondContact NH2-OD2 2.87Å; D62-I64 PolarHBondContact O-N 2.81Å
63V94.3Very high90.1Very high0 Ų064.1 Ų64.10%031%0.307CS..EExtended strand (participates in β ladder)trans-73.5124179.4-172.20000109.6L19 C31 H32 I33 R34 L37 I43 I49L19-V63 HydrophobicContact CD2-CG2 4.23Å; C31-V63 HydrophobicContact CB-CG2 3.78Å; H32-V63 PolarHBondContact O-N 2.99Å; I33-V63 HydrophobicContact CG1-CG2 4.24Å; R34-V63 WeakPolarHBondContact CB-O 3.41Å; R34-V63 WeakPolarHBondContact CD-O 3.37Å; R34-V63 WeakPolarHBondContact CG-O 3.42Å; L37-V63 HydrophobicContact CD2-CG1 3.97Å; I43-V63 HydrophobicContact CD1-CG1 3.99Å; I49-V63 HydrophobicContact CB-CG1 4.25Å; I49-V63 HydrophobicContact CD1-CG1 4.24Å; I49-V63 HydrophobicContact CD1-CG2 4.02Å; I49-V63 HydrophobicContact CG2-CG1 4.44Å
64I93.1Very high90Very high40 Ų4065.4 Ų65.421%0.20532%0.319CS..EExtended strand (participates in β ladder)trans-98.5-45.4-178.3-60176000111.1K5 L37 L50 D62K5-I64 HydrophobicContact CD-CD1 3.75Å; K5-I64 HydrophobicContact CG-CD1 3.86Å; L37-I64 WeakPolarHBondContact CD1-O 3.16Å; L50-I64 HydrophobicContact CB-CB 4.48Å; L50-I64 HydrophobicContact CD2-CB 4.41Å; L50-I64 HydrophobicContact CD2-CG2 4.3Å; L50-I64 HydrophobicContact CG-CB 4.43Å; L50-I64 PolarHBondContact O-N 3.33Å; D62-I64 PolarHBondContact O-N 2.81Å
65L91.9Very high89.9Confident80 Ų8063.4 Ų63.442%0.41931%0.313SS..EExtended strand (participates in β ladder)trans-150.8150.5-173.6-174.964.7000109.8I49 L50 Y67I49-L65 CarbonylContact C-O 3.57Å; I49-L65 WeakPolarHBondContact CA-O 3.44Å; L50-L65 HydrophobicContact CB-CB 4.08Å; L50-L65 PolarHBondContact N-O 3.34Å; L50-L65 PolarHBondContact O-N 3.27Å; L65-Y67 HydrophobicContact CD2-CE1 4.09Å
66K91.9Very high89.9Confident19 Ų1960.6 Ų60.68%0.08329%0.294CS..EExtended strand (participates in β ladder)trans-104.6136.3165.5176.3-162.5170.9-174.30107.6V41 W42 D47 I49 D91V41-K66 HydrophobicContact CG1-CB 3.72Å; V41-K66 HydrophobicContact CG1-CD 3.38Å; V41-K66 HydrophobicContact CG1-CG 4.18Å; W42-K66 WeakPolarHBondContact O-CD 3.27Å; W42-K66 PolarHBondContact O-NZ 2.84Å; D47-K66 WeakPolarHBondContact OD2-CE 3.21Å; D47-K66 IonicContact OD2-NZ 3.67Å; I49-K66 HydrophobicContact CG2-CB 4.43Å; K66-D91 WeakPolarHBondContact CE-OD2 3.36Å; K66-D91 IonicContact NZ-OD1 2.62Å; K66-D91 PolarHBondContact NZ-OD1 2.87Å; K66-D91 IonicContact NZ-OD2 3.01Å; K66-D91 PolarHBondContact NZ-OD2 2.95Å
67Y91.1Very high90Very high34 Ų3457 Ų5713%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-94.6140170.4-68.4-78.3000110.2Y7 I48 L50 L65 E71 L75Y7-Y67 AromaticContact CD1-CE2 3.8Å; Y7-Y67 HydrophobicContact CD1-CE2 3.8Å; Y7-Y67 AromaticContact CE1-CE2 3.66Å; Y7-Y67 HydrophobicContact CE1-CE2 3.66Å; Y7-Y67 AromaticContact CE1-CZ 3.78Å; Y7-Y67 WeakPolarHBondContact CE1-OH 2.84Å; I48-Y67 HydrophobicContact CG2-CD2 4.09Å; I48-Y67 PolarHBondContact O-N 2.87Å; L50-Y67 HydrophobicContact CB-CE2 3.87Å; L65-Y67 HydrophobicContact CD2-CE1 4.09Å; Y67-E71 WeakPolarHBondContact CA-OE2 3.42Å; Y67-E71 HydrophobicContact CD1-CB 3.95Å; Y67-L75 HydrophobicContact CD1-CD1 3.88Å; Y67-L75 HydrophobicContact CD2-CD1 4.02Å; Y67-L75 HydrophobicContact CE1-CD1 3.95Å; Y67-L75 HydrophobicContact CE2-CD1 4.08Å; Y67-L75 HydrophobicContact CG-CD1 3.91Å
68N89.6Confident90Very high62 Ų6262.2 Ų62.233%0.33232%0.316SS..  trans-73166.3169.7-72.8-1.3000110.8D70 E71 A72N68-D70 VanDerWaalsContact C-N 3.27Å; N68-D70 PolarHBondContact O-N 3.06Å; N68-E71 HydrophobicContact CB-CG 4.4Å; N68-E71 PolarHBondContact N-OE2 3.07Å; N68-E71 PolarHBondContact O-N 3.49Å; N68-A72 WeakPolarHBondContact O-CB 3.49Å; N68-A72 PolarHBondContact O-N 3.25Å
69A87.1Confident89.7Confident12 Ų1261.4 Ų61.410%0.09933%0.326CS..Hα-helixtrans-55.7-42.5178.600000112.2A72 R73 I87 N88A69-A72 PolarHBondContact O-N 3.28Å; A69-R73 WeakPolarHBondContact O-CG 3.41Å; A69-R73 PolarHBondContact O-N 3.38Å; A69-I87 HydrophobicContact CB-CG2 4.06Å; A69-N88 WeakPolarHBondContact CB-O 3.44Å
70D87.3Confident89.4Confident103 Ų10360.5 Ų60.555%0.55132%0.318SS*.Hα-helixtrans-65.7-46179.1-62.9-30.8000112N68 A72 R73 S74N68-D70 VanDerWaalsContact C-N 3.27Å; N68-D70 PolarHBondContact O-N 3.06Å; D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.36Å; D70-R73 WeakPolarHBondContact O-CB 3.19Å; D70-R73 PolarHBondContact O-N 3.44Å; D70-R73 VanDerWaalsContact O-N 3.09Å; D70-R73 IonicContact OD1-CZ 2.83Å; D70-R73 IonicContact OD1-NH1 3.88Å; D70-R73 PolarHBondContact OD1-NH1 3.48Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-S74 PolarHBondContact O-N 3.42Å; D70-S74 PolarHBondContact O-OG 2.83Å
71E89.6Confident88.8Confident91 Ų9156.6 Ų56.643%0.42530%0.302SS..Hα-helixtrans-62.4-38.6176.9-61.7178.6130.800111.3Y67 N68 R73 S74 L75Y67-E71 WeakPolarHBondContact CA-OE2 3.42Å; Y67-E71 HydrophobicContact CD1-CB 3.95Å; N68-E71 HydrophobicContact CB-CG 4.4Å; N68-E71 PolarHBondContact N-OE2 3.07Å; N68-E71 PolarHBondContact O-N 3.49Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.91Å; E71-S74 WeakPolarHBondContact O-CB 3.17Å; E71-S74 PolarHBondContact O-N 3.43Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.28Å
72A88.3Confident88Confident1 Ų158.6 Ų58.61%0.00832%0.315CS..Hα-helixtrans-63.6-37.1174.400000112.1I48 N68 A69 D70 L75 K76 I87I48-A72 HydrophobicContact CB-CB 4.21Å; I48-A72 HydrophobicContact CG1-CB 3.87Å; N68-A72 WeakPolarHBondContact O-CB 3.49Å; N68-A72 PolarHBondContact O-N 3.25Å; A69-A72 PolarHBondContact O-N 3.28Å; D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.36Å; A72-L75 PolarHBondContact O-N 3.4Å; A72-K76 PolarHBondContact O-N 3.01Å; A72-I87 HydrophobicContact CB-CD1 3.88Å; A72-I87 HydrophobicContact CB-CG1 4.02Å; A72-I87 HydrophobicContact CB-CG2 3.89Å
73R86.6Confident87Confident106 Ų10665.1 Ų65.140%0.434%0.344SS..Hα-helixtrans-66.3-40.4173.2-69.5-172.3-149.9115.62.9111.2A69 D70 E71 K76 A77 I87 E89A69-R73 WeakPolarHBondContact O-CG 3.41Å; A69-R73 PolarHBondContact O-N 3.38Å; D70-R73 WeakPolarHBondContact O-CB 3.19Å; D70-R73 PolarHBondContact O-N 3.44Å; D70-R73 VanDerWaalsContact O-N 3.09Å; D70-R73 IonicContact OD1-CZ 2.83Å; D70-R73 IonicContact OD1-NH1 3.88Å; D70-R73 PolarHBondContact OD1-NH1 3.48Å; D70-R73 IonicContact OD1-NH2 2.98Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.91Å; R73-K76 WeakPolarHBondContact O-CB 3.45Å; R73-K76 PolarHBondContact O-N 2.62Å; R73-A77 PolarHBondContact O-N 3.06Å; R73-I87 HydrophobicContact CB-CD1 4.39Å; R73-I87 HydrophobicContact CG-CD1 3.79Å; R73-E89 IonicContact CZ-OE1 3.57Å; R73-E89 IonicContact NE-OE1 2.63Å; R73-E89 IonicContact NH2-OE1 3.93Å; R73-E89 PolarHBondContact NH2-OE1 2.94Å
74S88.9Confident86Confident60 Ų6072.2 Ų72.242%0.4238%0.377SS..Hα-helixtrans-60.5-46.1173.4-58.60000111.2D70 E71 K76 A77 Y78D70-S74 PolarHBondContact O-N 3.42Å; D70-S74 PolarHBondContact O-OG 2.83Å; E71-S74 WeakPolarHBondContact O-CB 3.17Å; E71-S74 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 3.3Å; S74-A77 CarbonylContact O-C 3.58Å; S74-A77 WeakPolarHBondContact O-CA 3.49Å; S74-A77 WeakPolarHBondContact O-CB 2.99Å; S74-A77 PolarHBondContact O-N 2.81Å; S74-Y78 WeakPolarHBondContact O-CD2 3.46Å; S74-Y78 PolarHBondContact O-N 3.22Å
75L87.6Confident85.2Confident18 Ų1870.7 Ų70.79%0.09437%0.37CS..Hα-helixtrans-59-38.3176.2-72.8171.4000112.5Y7 Y67 E71 A72 Y78 G79 E80 L81Y7-L75 HydrophobicContact CD1-CD1 4.44Å; Y7-L75 HydrophobicContact CE1-CD1 4.05Å; Y7-L75 HydrophobicContact CE1-CD2 4.21Å; Y67-L75 HydrophobicContact CD1-CD1 3.88Å; Y67-L75 HydrophobicContact CD2-CD1 4.02Å; Y67-L75 HydrophobicContact CE1-CD1 3.95Å; Y67-L75 HydrophobicContact CE2-CD1 4.08Å; Y67-L75 HydrophobicContact CG-CD1 3.91Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.28Å; A72-L75 PolarHBondContact O-N 3.4Å; L75-Y78 PolarHBondContact O-N 2.76Å; L75-G79 PolarHBondContact O-N 3.01Å; L75-E80 HydrophobicContact CD2-CB 4.22Å; L75-E80 HydrophobicContact CD2-CG 4.41Å; L75-E80 PolarHBondContact O-N 2.63Å; L75-E80 VanDerWaalsContact O-N 3.07Å; L75-L81 HydrophobicContact CB-CD1 3.67Å; L75-L81 HydrophobicContact CB-CG 3.87Å; L75-L81 HydrophobicContact CD1-CD1 4.32Å
76K86.7Confident84.5Confident84 Ų8475 Ų7537%0.36539%0.385SS..Hα-helixtrans-63.3-43.3172.4-169.5-178.8-172.41730111.8A72 R73 S74 Y78 G79 L81 E83A72-K76 PolarHBondContact O-N 3.01Å; R73-K76 WeakPolarHBondContact O-CB 3.45Å; R73-K76 PolarHBondContact O-N 2.62Å; S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 3.3Å; K76-Y78 VanDerWaalsContact C-N 3.28Å; K76-Y78 PolarHBondContact O-N 3.37Å; K76-G79 PolarHBondContact O-N 3.02Å; K76-L81 HydrophobicContact CB-CB 4.5Å; K76-E83 WeakPolarHBondContact CE-O 3.33Å; K76-E83 PolarHBondContact NZ-O 2.91Å
77A85.6Confident84Confident90 Ų9076 Ų7674%0.74439%0.391SS*.Hα-helixtrans-65.2-31.4176.800000112.7R73 S74 G79R73-A77 PolarHBondContact O-N 3.06Å; S74-A77 CarbonylContact O-C 3.58Å; S74-A77 WeakPolarHBondContact O-CA 3.49Å; S74-A77 WeakPolarHBondContact O-CB 2.99Å; S74-A77 PolarHBondContact O-N 2.81Å; A77-G79 PolarHBondContact O-N 2.9Å
78Y86.4Confident83.4Confident184 Ų18476.8 Ų76.872%0.72240%0.398SS*.THydrogen-bonded Turntrans-75.4-8.5173-69.4-61.4000113.9S74 L75 K76 E80S74-Y78 WeakPolarHBondContact O-CD2 3.46Å; S74-Y78 PolarHBondContact O-N 3.22Å; L75-Y78 PolarHBondContact O-N 2.76Å; K76-Y78 VanDerWaalsContact C-N 3.28Å; K76-Y78 PolarHBondContact O-N 3.37Å; Y78-E80 VanDerWaalsContact C-N 3.27Å; Y78-E80 PolarHBondContact O-N 3.39Å
79G84Confident82.2Confident62 Ų6279.6 Ų79.664%0.63941%0.409SS*.THydrogen-bonded Turntrans76.312.6-177.200000114.3L75 K76 A77 L81L75-G79 PolarHBondContact O-N 3.01Å; K76-G79 PolarHBondContact O-N 3.02Å; A77-G79 PolarHBondContact O-N 2.9Å; G79-L81 VanDerWaalsContact C-N 3.33Å
80E83.6Confident80.9Confident98 Ų9883.8 Ų83.846%0.45843%0.433SS..SBendtrans-78.5-23176.6-65.8-73.717500111.7Y7 L75 Y78Y7-E80 HydrophobicContact CE2-CB 3.95Å; Y7-E80 HydrophobicContact CE2-CG 4.49Å; L75-E80 HydrophobicContact CD2-CB 4.22Å; L75-E80 HydrophobicContact CD2-CG 4.41Å; L75-E80 PolarHBondContact O-N 2.63Å; L75-E80 VanDerWaalsContact O-N 3.07Å; Y78-E80 VanDerWaalsContact C-N 3.27Å; Y78-E80 PolarHBondContact O-N 3.39Å
81L81.8Confident79.4Confident6 Ų681.1 Ų81.13%0.03142%0.419CS..SBendtrans-114.1139.6174.9-61.3177.6000110Y7 F24 I48 L75 K76 G79 A85Y7-L81 HydrophobicContact CD2-CD2 4.47Å; Y7-L81 HydrophobicContact CG-CD2 4.24Å; F24-L81 HydrophobicContact CD2-CD2 3.66Å; F24-L81 HydrophobicContact CE1-CD2 4.32Å; F24-L81 HydrophobicContact CE2-CD2 3.38Å; F24-L81 HydrophobicContact CG-CD2 4.25Å; F24-L81 HydrophobicContact CZ-CD2 3.74Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å; L75-L81 HydrophobicContact CB-CD1 3.67Å; L75-L81 HydrophobicContact CB-CG 3.87Å; L75-L81 HydrophobicContact CD1-CD1 4.32Å; K76-L81 HydrophobicContact CB-CB 4.5Å; G79-L81 VanDerWaalsContact C-N 3.33Å; L81-A85 HydrophobicContact CB-CB 4.37Å
82P79.1Confident77.4Confident42 Ų4282.1 Ų82.127%0.27343%0.432SS..  trans-66.7151.1176.528.5-34.1000111.3F24 H84 A85F24-P82 HydrophobicContact CD1-CG 3.5Å; F24-P82 VanDerWaalsContact CD1-CG 3.5Å; F24-P82 HydrophobicContact CE1-CG 3.79Å; P82-H84 WeakPolarHBondContact CB-CE1 2.96Å; P82-H84 VanDerWaalsContact CG-CE1 3.47Å; P82-H84 WeakPolarHBondContact CG-CE1 3.4Å; P82-H84 PolarHBondContact O-N 3.26Å; P82-A85 VanDerWaalsContact O-CB 3.3Å; P82-A85 WeakPolarHBondContact O-CB 3.47Å; P82-A85 PolarHBondContact O-N 3.32Å
83E73Confident75.4Confident175 Ų17590.5 Ų90.582%0.81847%0.468SS*.THydrogen-bonded Turntrans-58.2-25.7-173.6-75.8-166.2141.700114.4K76 A85K76-E83 WeakPolarHBondContact CE-O 3.33Å; K76-E83 PolarHBondContact NZ-O 2.91Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 2.98Å
84H71.8Confident73.7Confident150 Ų15087.6 Ų87.669%0.69447%0.471SS*.THydrogen-bonded Turntrans-82.5-1.4-179.767-95.9000114P82 K86P82-H84 WeakPolarHBondContact CB-CE1 2.96Å; P82-H84 VanDerWaalsContact CG-CE1 3.47Å; P82-H84 WeakPolarHBondContact CG-CE1 3.4Å; P82-H84 PolarHBondContact O-N 3.26Å; H84-K86 PolarHBondContact O-N 2.87Å; H84-K86 VanDerWaalsContact O-N 3.1Å
85A76.8Confident71.9Confident7 Ų790.4 Ų90.46%0.05849%0.488CS..  trans-61.5114.6175.200000109.8F24 L81 P82 E83 I87F24-A85 HydrophobicContact CE1-CB 3.98Å; F24-A85 HydrophobicContact CZ-CB 4.14Å; L81-A85 HydrophobicContact CB-CB 4.37Å; P82-A85 VanDerWaalsContact O-CB 3.3Å; P82-A85 WeakPolarHBondContact O-CB 3.47Å; P82-A85 PolarHBondContact O-N 3.32Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 2.98Å; A85-I87 PolarHBondContact O-N 3.09Å
86K77.8Confident69.9Low170 Ų17092.5 Ų92.574%0.73951%0.514SS*.  trans-83.8106.5176.7-67.8-174.8-179.5-176.50108.9Q9 H84Q9-K86 PolarHBondContact NE2-O 2.89Å; H84-K86 PolarHBondContact O-N 2.87Å; H84-K86 VanDerWaalsContact O-N 3.1Å
87I81.6Confident67.9Low42 Ų4296 Ų9622%0.21554%0.536CS..  trans-84.4130.2179.3-58.1167.7000108.2A69 A72 R73 A85A69-I87 HydrophobicContact CB-CG2 4.06Å; A72-I87 HydrophobicContact CB-CD1 3.88Å; A72-I87 HydrophobicContact CB-CG1 4.02Å; A72-I87 HydrophobicContact CB-CG2 3.89Å; R73-I87 HydrophobicContact CB-CD1 4.39Å; R73-I87 HydrophobicContact CG-CD1 3.79Å; A85-I87 PolarHBondContact O-N 3.09Å
88N77.4Confident66.3Low50 Ų5099 Ų9927%0.26754%0.54SS..  trans-83.5130.5174.3-168.1-9.2000109.4T45 A69 T90T45-N88 PolarHBondContact O-ND2 2.87Å; A69-N88 WeakPolarHBondContact CB-O 3.44Å; N88-T90 WeakPolarHBondContact OD1-CB 3.37Å; N88-T90 PolarHBondContact OD1-N 3.02Å; N88-T90 PolarHBondContact OD1-OG1 3.48Å
89E65.6Low64.6Low120 Ų12097.8 Ų97.856%0.56155%0.546SS*.  trans-9511.2-178-60.6-164.8144.200113.4R73 D91 T92R73-E89 IonicContact CZ-OE1 3.57Å; R73-E89 IonicContact NE-OE1 2.63Å; R73-E89 IonicContact NH2-OE1 3.93Å; R73-E89 PolarHBondContact NH2-OE1 2.94Å; E89-D91 VanDerWaalsContact C-N 3.28Å; E89-D91 PolarHBondContact O-N 3.23Å; E89-T92 PolarHBondContact O-OG1 3.39Å
90T59.4Low63.3Low100 Ų100102.5 Ų102.561%0.61355%0.552SS**  trans-70.7-15.3-173-61.60000114.2N88 T92N88-T90 WeakPolarHBondContact OD1-CB 3.37Å; N88-T90 PolarHBondContact OD1-N 3.02Å; N88-T90 PolarHBondContact OD1-OG1 3.48Å; T90-T92 PolarHBondContact O-N 2.98Å
91D54.9Low62.2Low48 Ų48104.9 Ų104.926%0.25757%0.566SS.*  trans-82.250.3174.7-79.7-48.8000112.4K66 E89 F93K66-D91 WeakPolarHBondContact CE-OD2 3.36Å; K66-D91 IonicContact NZ-OD1 2.62Å; K66-D91 PolarHBondContact NZ-OD1 2.87Å; K66-D91 IonicContact NZ-OD2 3.01Å; K66-D91 PolarHBondContact NZ-OD2 2.95Å; E89-D91 VanDerWaalsContact C-N 3.28Å; E89-D91 PolarHBondContact O-N 3.23Å; D91-F93 PolarHBondContact O-N 2.79Å
92T47.9Very low61Low112 Ų112111.7 Ų111.769%0.68760%0.598SS**  trans-71-2.5173.8-36.30000112.7E89 T90E89-T92 PolarHBondContact O-OG1 3.39Å; T90-T92 PolarHBondContact O-N 2.98Å
93F47.5Very low60.2Low177 Ų177118.1 Ų118.178%0.77662%0.621SS**SBendtrans-124.9114.1170.9-59.1-85.4000106.7D91D91-F93 PolarHBondContact O-N 2.79Å
94G50.2Low59.2Low45 Ų45116.2 Ų116.246%0.46462%0.617SS.*  trans-55.1176.8165.300000110.5G96G94-G96 PolarHBondContact O-N 3.18Å
95P51.4Low58.6Low118 Ų118116 Ų11677%0.76662%0.621SS**SBendtrans-50.4112.5163.224.7-31000106.3D97P95-D97 PolarHBondContact O-N 3.43Å
96G45.6Very low57.7Low62 Ų62123.1 Ų123.164%0.63966%0.656SS**  trans-55112.2172.600000106G94 D98G94-G96 PolarHBondContact O-N 3.18Å; G96-D98 PolarHBondContact O-N 2.92Å
97D45.4Very low56.6Low157 Ų157117.1 Ų117.184%0.8464%0.643SS**  trans-6075.4136.2-80.8-39.7000105.6P95 D99P95-D97 PolarHBondContact O-N 3.43Å; D97-D99 PolarHBondContact O-N 2.88Å
98D51.2Low55.4Low154 Ų154122.5 Ų122.582%0.82467%0.672SS**  trans-92.831.1174.4-138.49.3000108.7G96G96-D98 PolarHBondContact O-N 2.92Å
99D51.2Low54.4Low159 Ų159125.7 Ų125.785%0.8569%0.689SS**SBendtrans-135.623.5-179.5-88.1-36.7000112.2D97D97-D99 PolarHBondContact O-N 2.88Å
100E55.7Low54Low161 Ų161128.2 Ų128.275%0.75271%0.706SS**  trans-134.171.5164.2-74.4-168.3179.500111.7Q102E100-Q102 PolarHBondContact O-N 3.44Å
101I61.1Low53.9Low147 Ų147130.7 Ų130.775%0.75471%0.711SS**  trans-8392.1144-55.7176000105.8F103I101-F103 HydrophobicContact CG2-CD2 3.66Å; I101-F103 HydrophobicContact CG2-CE2 3.92Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.11Å
102Q57.1Low54Low150 Ų150134.5 Ų134.570%0.70173%0.731SS**  trans-67.6101.7157.2-88.8-176.8-25.900106.8E100 D104E100-Q102 PolarHBondContact O-N 3.44Å; Q102-D104 PolarHBondContact O-N 3.11Å
103F61.3Low54.5Low176 Ų176137.3 Ų137.377%0.77274%0.74SS**  trans-67.389.7155.9-99.9-94.1000106.4I101 D105I101-F103 HydrophobicContact CG2-CD2 3.66Å; I101-F103 HydrophobicContact CG2-CE2 3.92Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.11Å; F103-D105 PolarHBondContact O-N 3.22Å
104D51.9Low55Low136 Ų136135.6 Ų135.673%0.72774%0.739SS**  trans-66110.5159.9-98.5-7.9000107Q102Q102-D104 PolarHBondContact O-N 3.11Å
105D59.4Low55.4Low144 Ų144141.2 Ų141.277%0.7776%0.759SS**  trans46.583.8140.6-14730.7000115.5F103 G107F103-D105 PolarHBondContact O-N 3.22Å; D105-G107 PolarHBondContact O-N 2.89Å
106I59.1Low55.3Low157 Ų157147 Ų14781%0.80578%0.781SS**  trans-70.681.7146.4-63.3174.8000105
107G53.9Low55.8Low44 Ų44151.3 Ų151.345%0.45479%0.788SS.*  trans-60.3138.6164.200000109.3D105D105-G107 PolarHBondContact O-N 2.89Å
108D56.5Low56.3Low155 Ų155151 Ų15183%0.82979%0.785SS**  trans-37.6159.5169.9-105.4-26.3000115.5
109D56.8Low56.6Low117 Ų117150.8 Ų150.863%0.62678%0.783SS**  trans73.297.6160.4-73.9-15.2000118.5
110D56Low56.9Low173 Ų173150.4 Ų150.493%0.92578%0.779SS**  -137.2101.1116.3-91.8-37.4000107.8
111E57.8Low57Low153 Ų153149.7 Ų149.772%0.71578%0.781SS**  trans-54.4164.9158.8-71.1-174.1-155.300110.5
112D57.5Low56.7Low128 Ų128149.9 Ų149.968%0.68478%0.783SS**  trans89.765.9167.6-47.3-29.9000117.9D114D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.2Å
113I58.7Low56.7Low171 Ų171149.9 Ų149.988%0.87779%0.789SS**  trans-78.393.5138.3-71.7175.3000106.6D115I113-D115 PolarHBondContact O-N 3.41Å
114D57.3Low56.3Low140 Ų140147.8 Ų147.875%0.74979%0.79SS**  trans-66120.7164.9-87.6-32.1000109.4D112 I116D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.2Å; D114-I116 PolarHBondContact O-N 3.34Å
115D58.1Low56.7Low163 Ų163148.8 Ų148.887%0.87280%0.795SS**  trans-60.1108.2161.1-98.3-31.3000109.5I113I113-D115 PolarHBondContact O-N 3.41Å
116I48.9Very low56.4Low241 Ų241149.3 Ų149.3100%1.23680%0.797SS**  trans-155.70149.1-122.9167.6000113.5D114D114-I116 PolarHBondContact O-N 3.34Å

Retrieved 116 of 116 residues in 21.7 ms (Link to these results)