A0A096MYJ1_PAPAN Loading...

Eukaryotic translation initiation factor 5A

Translation factor that promotes translation elongation and termination, particularly upon ribosome stalling at specific amino acid sequence contexts. Binds between the exit (E) and peptidyl (P) site of the ribosome and promotes rescue of stalled ribosome: specifically required for efficient translation of polyproline-containing peptides as well as other motifs that stall the ribosome. Acts as ribosome quality control (RQC) cofactor by joining the RQC complex to facilitate peptidyl transfer during CAT tailing step.

AlphaFold DB (C9J7B5), UniProt , Accession A0A096MYJ1, Species PAPAN (Papio anubis, Olive baboon), Gene EIF5A2, Length 109 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
1M47.1Very low60Low240 Ų240143.7 Ų143.7100%1.18280%0.804SS**  0108.70-86.2165.9161.600105.5
2A50Low60.1Low96 Ų96139.3 Ų139.379%0.79380%0.8SS**  trans-86.2117175.900000106.7E4A2-E4 PolarHBondContact O-N 3.14Å; A2-E4 VanDerWaalsContact O-N 3.15Å
3D56.6Low59.9Low152 Ų152134.3 Ų134.381%0.81380%0.797SS**  trans-69.3101.9169.2-78-98.8000108.3I5D3-I5 PolarHBondContact O-N 3.07Å; D3-I5 VanDerWaalsContact O-N 3.16Å
4E62.1Low60.2Low191 Ų191130.9 Ų130.989%0.89379%0.791SS**  trans-65.5105.1165.8-84.3177.377.600108.6A2 D6A2-E4 PolarHBondContact O-N 3.14Å; A2-E4 VanDerWaalsContact O-N 3.15Å; E4-D6 PolarHBondContact O-N 3.28Å
5I67.4Low60.9Low125 Ų125128.1 Ų128.164%0.64178%0.78SS**  trans-81.895.2177.1-34.9174.2000107.6D3 F7D3-I5 PolarHBondContact O-N 3.07Å; D3-I5 VanDerWaalsContact O-N 3.16Å; I5-F7 HydrophobicContact CB-CD2 4.16Å; I5-F7 HydrophobicContact CB-CE2 3.65Å; I5-F7 HydrophobicContact CB-CZ 4.28Å; I5-F7 HydrophobicContact CD1-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 4Å; I5-F7 HydrophobicContact CG2-CE1 4.27Å; I5-F7 HydrophobicContact CG2-CE2 3.42Å; I5-F7 VanDerWaalsContact CG2-CE2 3.42Å; I5-F7 HydrophobicContact CG2-CZ 3.58Å; I5-F7 WeakPolarHBondContact O-CD2 3.38Å; I5-F7 PolarHBondContact O-N 3.47Å; I5-F7 VanDerWaalsContact O-N 3.11Å
6D62.1Low62.2Low124 Ų124126.3 Ų126.366%0.66377%0.774SS**  trans-71.995.6173.2-173.6-98.7000109.8E4 T8E4-D6 PolarHBondContact O-N 3.28Å; D6-T8 PolarHBondContact O-N 3.39Å; D6-T8 VanDerWaalsContact O-N 3.11Å; D6-T8 WeakPolarHBondContact OD1-CB 3.41Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.48Å; D6-T8 PolarHBondContact OD1-OG1 2.82Å
7F64.8Low63.9Low175 Ų175121.2 Ų121.277%0.76874%0.743SS**  trans-82.669.8170.2-68-85.8000109.7I5 T9I5-F7 HydrophobicContact CB-CD2 4.16Å; I5-F7 HydrophobicContact CB-CE2 3.65Å; I5-F7 HydrophobicContact CB-CZ 4.28Å; I5-F7 HydrophobicContact CD1-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 4Å; I5-F7 HydrophobicContact CG2-CE1 4.27Å; I5-F7 HydrophobicContact CG2-CE2 3.42Å; I5-F7 VanDerWaalsContact CG2-CE2 3.42Å; I5-F7 HydrophobicContact CG2-CZ 3.58Å; I5-F7 WeakPolarHBondContact O-CD2 3.38Å; I5-F7 PolarHBondContact O-N 3.47Å; I5-F7 VanDerWaalsContact O-N 3.11Å; F7-T9 PolarHBondContact O-N 2.95Å
8T65.7Low65.4Low108 Ų108120.2 Ų120.266%0.66372%0.724SS**  trans-69.999164.131.20000108.4D6 G10D6-T8 PolarHBondContact O-N 3.39Å; D6-T8 VanDerWaalsContact O-N 3.11Å; D6-T8 WeakPolarHBondContact OD1-CB 3.41Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.48Å; D6-T8 PolarHBondContact OD1-OG1 2.82Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 2.81Å
9T63.5Low66.8Low145 Ų145118.7 Ų118.789%0.8972%0.718SS**  trans-57.793.1166.6-19.50000107.7F7 D11F7-T9 PolarHBondContact O-N 2.95Å; T9-D11 PolarHBondContact O-N 3.34Å; T9-D11 VanDerWaalsContact O-N 3.1Å
10G60.5Low68.1Low68 Ų68116.1 Ų116.170%0.70170%0.698SS**  trans-68108.1-179.300000109.2T8 A12T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 2.81Å; G10-A12 PolarHBondContact O-N 3.14Å
11D60.7Low69.4Low157 Ų157114.4 Ų114.484%0.8468%0.683SS**  trans-62.3104163.7-164.9-99.4000106.2T9 G13T9-D11 PolarHBondContact O-N 3.34Å; T9-D11 VanDerWaalsContact O-N 3.1Å; D11-G13 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.25Å
12A60.3Low71.4Confident91 Ų91103 Ų10375%0.75263%0.626SS**  trans-63.299176.800000106.5G10 A14G10-A12 PolarHBondContact O-N 3.14Å; A12-A14 PolarHBondContact O-N 3.11Å
13G58.3Low73.3Confident74 Ų74100.5 Ų100.576%0.76360%0.604SS**  trans-56.481.6-173.800000112.2D11 S15D11-G13 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.25Å; G13-S15 PolarHBondContact O-N 3.16Å
14A63.4Low75Confident86 Ų8695.4 Ų95.471%0.71158%0.583SS**  trans-65.9128.417400000107.4A12 S16A12-A14 PolarHBondContact O-N 3.11Å; A14-S16 PolarHBondContact O-N 2.63Å
15S71.8Confident76.5Confident89 Ų8986.6 Ų86.662%0.62254%0.542SS*.  trans-57.7124.8177-173.30000109.8G13 T17G13-S15 PolarHBondContact O-N 3.16Å; S15-T17 WeakPolarHBondContact CB-O 3.36Å; S15-T17 PolarHBondContact O-N 3.15Å; S15-T17 PolarHBondContact OG-O 3.18Å
16S81.1Confident77.7Confident99 Ų9988.1 Ų88.169%0.69254%0.539SS*.SBendtrans-63.7-22.1179-57.50000112.7A14 N83A14-S16 PolarHBondContact O-N 2.63Å; S16-N83 PolarHBondContact O-N 3.09Å; S16-N83 VanDerWaalsContact O-N 3.12Å
17T90.3Very high79.1Confident40 Ų4089 Ų8925%0.24554%0.537CS..EExtended strand (participates in β ladder)trans-130.9160.4178.562.50000111.3S15 V32 D80 V81S15-T17 WeakPolarHBondContact CB-O 3.36Å; S15-T17 PolarHBondContact O-N 3.15Å; S15-T17 PolarHBondContact OG-O 3.18Å; T17-V32 HydrophobicContact CG2-CG2 3.79Å; T17-D80 HydrophobicContact CG2-CB 4.19Å; T17-D80 PolarHBondContact OG1-OD1 2.81Å; T17-V81 CarbonylContact C-O 3.57Å; T17-V81 WeakPolarHBondContact CA-O 3.38Å; T17-V81 WeakPolarHBondContact CB-O 3.44Å
18Y91.2Very high80.4Confident103 Ų10385.2 Ų85.240%0.40453%0.525SS..EExtended strand (participates in β ladder)trans-129.5145.5166.562-88.9000109.9M20 V81Y18-M20 HydrophobicContact CE2-CB 4.3Å; Y18-M20 HydrophobicContact CE2-CE 3.87Å; Y18-V81 HydrophobicContact CD1-CB 4.37Å; Y18-V81 WeakPolarHBondContact CD1-O 3.49Å; Y18-V81 HydrophobicContact CD2-CB 4.17Å; Y18-V81 HydrophobicContact CE1-CB 3.96Å; Y18-V81 HydrophobicContact CE1-CG1 3.69Å; Y18-V81 HydrophobicContact CE2-CB 3.72Å; Y18-V81 HydrophobicContact CE2-CG1 3.93Å; Y18-V81 HydrophobicContact CE2-CG2 4.29Å; Y18-V81 HydrophobicContact CG-CB 4.48Å; Y18-V81 PolarHBondContact N-O 2.91Å; Y18-V81 PolarHBondContact O-N 3.11Å; Y18-V81 WeakPolarHBondContact OH-CG1 3.32Å
19P93.3Very high81.8Confident92 Ų9281.2 Ų81.260%0.59751%0.505SS*.EExtended strand (participates in β ladder)trans-73.7137.1177.929.5-33.8000110.6N78P19-N78 HydrophobicContact CB-CB 4.39Å
20M92.9Very high83.3Confident66 Ų6677.7 Ų77.733%0.32548%0.477SS..EExtended strand (participates in β ladder)trans-140.4143.6172.4-177.5170.8-9000110Y18 C22 A24 L25 N78 M79 V81Y18-M20 HydrophobicContact CE2-CB 4.3Å; Y18-M20 HydrophobicContact CE2-CE 3.87Å; M20-C22 PolarHBondContact O-N 2.83Å; M20-A24 HydrophobicContact CG-CB 3.92Å; M20-A24 HydrophobicContact SD-CB 4.28Å; M20-L25 HydrophobicContact SD-CD2 4.15Å; M20-N78 WeakPolarHBondContact O-CA 3.45Å; M20-M79 PolarHBondContact N-O 2.81Å; M20-M79 PolarHBondContact O-N 2.8Å; M20-V81 HydrophobicContact CB-CG2 3.63Å; M20-V81 HydrophobicContact CG-CG2 4.46Å; M20-V81 HydrophobicContact SD-CG2 4.28Å
21Q93.6Very high84.9Confident81 Ų8174.4 Ų74.438%0.37944%0.444SS..EExtended strand (participates in β ladder)trans-64.9136.6178.8-169173.960.100111.2S23 A24 S75 T76Q21-S23 WeakPolarHBondContact CG-OG 3.04Å; Q21-S23 PolarHBondContact O-N 3.03Å; Q21-S23 VanDerWaalsContact O-N 3.15Å; Q21-S23 PolarHBondContact OE1-OG 3.1Å; Q21-A24 HydrophobicContact CB-CB 4.42Å; Q21-A24 WeakPolarHBondContact O-CA 3.32Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 2.78Å; Q21-S75 WeakPolarHBondContact CG-O 3.36Å; Q21-T76 PolarHBondContact NE2-O 2.95Å
22C90.3Very high86.5Confident0 Ų068.4 Ų68.40%041%0.413CS..G310 helixtrans-55.7-32.6-178.8173.90000112.1M20 A24 M43 V56 C73 H77 M79M20-C22 PolarHBondContact O-N 2.83Å; C22-A24 PolarHBondContact O-N 3.34Å; C22-M43 WeakPolarHBondContact O-CE 3.47Å; C22-V56 WeakPolarHBondContact SG-CB 3.2Å; C22-C73 HydrophobicContact CB-CB 4.15Å; C22-C73 WeakPolarHBondContact CB-SG 3.41Å; C22-C73 WeakPolarHBondContact SG-CB 3.24Å; C22-C73 CovalentContact SG-SG 2.08Å; C22-C73 PolarHBondContact SG-SG 2.66Å; C22-H77 VanDerWaalsContact CB-O 3.3Å; C22-H77 WeakPolarHBondContact CB-O 3.43Å; C22-H77 PolarHBondContact N-O 2.08Å; C22-M79 HydrophobicContact CB-CG 3.96Å
23S89.9Confident88.1Confident45 Ų4564.1 Ų64.132%0.31538%0.377SS..G310 helixtrans-69-24.4172.768.80000115.2Q21 R26 S75Q21-S23 WeakPolarHBondContact CG-OG 3.04Å; Q21-S23 PolarHBondContact O-N 3.03Å; Q21-S23 VanDerWaalsContact O-N 3.15Å; Q21-S23 PolarHBondContact OE1-OG 3.1Å; S23-R26 PolarHBondContact O-NH1 3.4Å; S23-S75 WeakPolarHBondContact CB-O 3.49Å; S23-S75 PolarHBondContact N-O 2.8Å
24A92.5Very high89.6Confident45 Ų4567.9 Ų67.937%0.37237%0.372SS..G310 helixtrans-83.8-17.3-17900000112.1M20 Q21 C22 R26M20-A24 HydrophobicContact CG-CB 3.92Å; M20-A24 HydrophobicContact SD-CB 4.28Å; Q21-A24 HydrophobicContact CB-CB 4.42Å; Q21-A24 WeakPolarHBondContact O-CA 3.32Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 2.78Å; C22-A24 PolarHBondContact O-N 3.34Å; A24-R26 PolarHBondContact O-NH1 2.68Å
25L93.4Very high90.8Very high6 Ų667.1 Ų67.13%0.03137%0.373CS..  trans-61.3151.4173.8-62.3175.3000111.3M20 V31 I40 M43 L58 M79 V81M20-L25 HydrophobicContact SD-CD2 4.15Å; L25-V31 HydrophobicContact CD1-CB 4.19Å; L25-V31 HydrophobicContact CD1-CG2 3.86Å; L25-V31 HydrophobicContact CD2-CB 4.44Å; L25-I40 HydrophobicContact CB-CD1 3.93Å; L25-I40 HydrophobicContact CD1-CD1 4.31Å; L25-I40 HydrophobicContact CD2-CD1 4.29Å; L25-I40 HydrophobicContact CG-CD1 4.41Å; L25-M43 HydrophobicContact CB-CE 4.43Å; L25-M43 WeakPolarHBondContact O-CE 3.21Å; L25-L58 HydrophobicContact CD1-CD1 3.89Å; L25-L58 HydrophobicContact CD1-CD2 4.37Å; L25-M79 HydrophobicContact CD1-CB 4.44Å; L25-V81 HydrophobicContact CD2-CG2 3.77Å
26R92.4Very high91.7Very high157 Ų15767.6 Ų67.659%0.59236%0.361SS*.  trans-138.6157.6-178.6-64.1-66.7-179.3-90.80.9110.3S23 A24 G29 I40S23-R26 PolarHBondContact O-NH1 3.4Å; A24-R26 PolarHBondContact O-NH1 2.68Å; R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 3.12Å; R26-I40 WeakPolarHBondContact O-CD1 3.29Å
27K92.2Very high92.4Very high142 Ų14264.4 Ų64.462%0.61734%0.338SS*.THydrogen-bonded Turntrans-54.4143171.1-173.2175.5-180172.50110.1G29 V41K27-G29 PolarHBondContact O-N 2.9Å; K27-V41 WeakPolarHBondContact CE-O 3.28Å
28N92.3Very high92.6Very high96 Ų9662.5 Ų62.551%0.51333%0.326SS..THydrogen-bonded Turntrans65.2-1.3-170.7-61.3-55.5000115.8K39 I40N28-K39 VanDerWaalsContact OD1-CE 3.23Å; N28-K39 WeakPolarHBondContact OD1-CE 3.34Å; N28-K39 PolarHBondContact OD1-NZ 3.19Å; N28-I40 WeakPolarHBondContact CA-O 3.39Å; N28-I40 PolarHBondContact N-O 3.22Å
29G93.6Very high92.9Very high23 Ų2361.4 Ų61.424%0.23732%0.324CS..  trans-70.7177.6167.900000112.1R26 K27 I40R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 3.12Å; K27-G29 PolarHBondContact O-N 2.9Å; G29-I40 PolarHBondContact O-N 2.82Å
30F94.6Very high93Very high71 Ų7157 Ų5731%0.31130%0.295SS..EExtended strand (participates in β ladder)trans-116.3148.2177.7-57.3-80.2000110.4C38 K39 I63 V81 P82 I84F30-C38 WeakPolarHBondContact CA-O 3.23Å; F30-K39 HydrophobicContact CD1-CB 4.04Å; F30-K39 HydrophobicContact CD1-CG 4.43Å; F30-K39 HydrophobicContact CE1-CB 3.94Å; F30-K39 HydrophobicContact CE1-CG 4.12Å; F30-I63 HydrophobicContact CD1-CG2 4.25Å; F30-I63 HydrophobicContact CE1-CG2 4.05Å; F30-V81 WeakPolarHBondContact O-CG1 3.44Å; F30-P82 HydrophobicContact CB-CG 3.86Å; F30-I84 HydrophobicContact CB-CD1 3.93Å; F30-I84 HydrophobicContact CD1-CD1 3.28Å; F30-I84 HydrophobicContact CD2-CD1 3.78Å; F30-I84 HydrophobicContact CE1-CD1 3.57Å; F30-I84 HydrophobicContact CE2-CD1 4.05Å; F30-I84 HydrophobicContact CG-CD1 3.38Å; F30-I84 HydrophobicContact CG-CG1 4.44Å; F30-I84 HydrophobicContact CZ-CD1 3.94Å
31V95.3Very high93.1Very high0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-154.8148.7176.563.50000108.2L25 L33 C38 I40 M79 D80L25-V31 HydrophobicContact CD1-CB 4.19Å; L25-V31 HydrophobicContact CD1-CG2 3.86Å; L25-V31 HydrophobicContact CD2-CB 4.44Å; V31-L33 HydrophobicContact CG1-CD1 4.4Å; V31-L33 HydrophobicContact CG1-CD2 3.97Å; V31-L33 HydrophobicContact CG1-CG 3.94Å; V31-L33 HydrophobicContact CG2-CD2 4.5Å; V31-C38 PolarHBondContact N-O 2.96Å; V31-C38 PolarHBondContact O-N 3.2Å; V31-C38 VanDerWaalsContact O-O 3.13Å; V31-I40 HydrophobicContact CB-CD1 4.23Å; V31-I40 HydrophobicContact CB-CG1 4.4Å; V31-I40 HydrophobicContact CG1-CD1 3.91Å; V31-I40 HydrophobicContact CG1-CG1 3.61Å; V31-M79 HydrophobicContact CG2-CB 3.93Å; V31-D80 WeakPolarHBondContact CG2-O 3.44Å
32V94.4Very high93.1Very high31 Ų3157.4 Ų57.419%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-83114.9172.8-176.70000108.5T17 R36 D80 P82T17-V32 HydrophobicContact CG2-CG2 3.79Å; V32-R36 CarbonylContact C-O 3.52Å; V32-R36 VanDerWaalsContact CA-O 3.29Å; V32-R36 WeakPolarHBondContact CA-O 3.41Å; V32-D80 HydrophobicContact CB-CB 3.95Å; V32-D80 HydrophobicContact CG2-CB 3.95Å; V32-D80 PolarHBondContact N-O 2.95Å; V32-P82 HydrophobicContact CG2-CB 4.26Å; V32-P82 HydrophobicContact CG2-CG 4.31Å
33L93.6Very high93.3Very high1 Ų159.9 Ų59.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-109.8125172.6-60177.7000108.8V31 G35 R36 C38 D71 M79V31-L33 HydrophobicContact CG1-CD1 4.4Å; V31-L33 HydrophobicContact CG1-CD2 3.97Å; V31-L33 HydrophobicContact CG1-CG 3.94Å; V31-L33 HydrophobicContact CG2-CD2 4.5Å; L33-G35 PolarHBondContact O-N 3.45Å; L33-G35 VanDerWaalsContact O-N 3.17Å; L33-R36 PolarHBondContact N-O 2.99Å; L33-R36 PolarHBondContact O-N 2.84Å; L33-C38 HydrophobicContact CB-CB 4.43Å; L33-C38 HydrophobicContact CD1-CB 3.96Å; L33-C38 HydrophobicContact CG-CB 4.15Å; L33-D71 HydrophobicContact CD2-CB 3.92Å; L33-M79 HydrophobicContact CD2-CE 4.35Å
34K89.2Confident93.4Very high152 Ų15260 Ų6066%0.66131%0.312SS*.THydrogen-bonded Turntrans50.840179.3-57.8-178.7-178.8176.50113.1R36 Y69K34-R36 VanDerWaalsContact C-N 3.29Å; K34-R36 PolarHBondContact O-N 3.31Å; K34-Y69 HydrophobicContact CD-CD1 4.13Å
35G89.3Confident93.4Very high70 Ų7062.3 Ų62.372%0.72232%0.322SS*.THydrogen-bonded Turntrans75.710.3-179.200000115.1L33L33-G35 PolarHBondContact O-N 3.45Å; L33-G35 VanDerWaalsContact O-N 3.17Å
36R91.6Very high93.3Very high99 Ų9965 Ų6537%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-119.2138.8177.8-62-163.5174.9-153.1-3.7112.2V32 L33 K34 C38 D62 T65V32-R36 CarbonylContact C-O 3.52Å; V32-R36 VanDerWaalsContact CA-O 3.29Å; V32-R36 WeakPolarHBondContact CA-O 3.41Å; L33-R36 PolarHBondContact N-O 2.99Å; L33-R36 PolarHBondContact O-N 2.84Å; K34-R36 VanDerWaalsContact C-N 3.29Å; K34-R36 PolarHBondContact O-N 3.31Å; R36-C38 PolarHBondContact O-N 2.8Å; R36-D62 VanDerWaalsContact CD-OD2 3.28Å; R36-D62 WeakPolarHBondContact CD-OD2 3.48Å; R36-D62 IonicContact CZ-OD2 3.94Å; R36-D62 IonicContact NH1-OD2 3Å; R36-D62 PolarHBondContact NH1-OD2 2.88Å; R36-T65 VanDerWaalsContact NH1-CG2 3.28Å; R36-T65 PolarHBondContact NH1-OG1 2.86Å
37P94.1Very high93.1Very high32 Ų3265.8 Ų65.821%0.20835%0.349CS..EExtended strand (participates in β ladder)trans-72117.6175.228.4-30.8000110.1I63 F64 P82P37-I63 HydrophobicContact CB-CD1 4.01Å; P37-I63 HydrophobicContact CB-CG1 4.39Å; P37-I63 HydrophobicContact CG-CD1 4.02Å; P37-I63 HydrophobicContact CG-CG1 4.15Å; P37-I63 PolarHBondContact O-N 2.83Å; P37-F64 HydrophobicContact CG-CD2 3.91Å; P37-F64 HydrophobicContact CG-CE2 3.52Å; P37-P82 HydrophobicContact CB-CB 4.07Å; P37-P82 HydrophobicContact CB-CG 3.87Å
38C96Very high92.7Very high0 Ų062.9 Ų62.90%034%0.343CS..EExtended strand (participates in β ladder)trans-118.9143.8-179-66.10000110.7F30 V31 L33 R36 I61F30-C38 WeakPolarHBondContact CA-O 3.23Å; V31-C38 PolarHBondContact N-O 2.96Å; V31-C38 PolarHBondContact O-N 3.2Å; V31-C38 VanDerWaalsContact O-O 3.13Å; L33-C38 HydrophobicContact CB-CB 4.43Å; L33-C38 HydrophobicContact CD1-CB 3.96Å; L33-C38 HydrophobicContact CG-CB 4.15Å; R36-C38 PolarHBondContact O-N 2.8Å; C38-I61 CarbonylContact C-O 3.52Å; C38-I61 VanDerWaalsContact CA-O 3.28Å; C38-I61 WeakPolarHBondContact CA-O 3.22Å
39K95.7Very high92.4Very high81 Ų8160.5 Ų60.535%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-86.3126.6166.9-178-179178.2-177.40109.4N28 F30 V41 G60 I61 I63N28-K39 VanDerWaalsContact OD1-CE 3.23Å; N28-K39 WeakPolarHBondContact OD1-CE 3.34Å; N28-K39 PolarHBondContact OD1-NZ 3.19Å; F30-K39 HydrophobicContact CD1-CB 4.04Å; F30-K39 HydrophobicContact CD1-CG 4.43Å; F30-K39 HydrophobicContact CE1-CB 3.94Å; F30-K39 HydrophobicContact CE1-CG 4.12Å; K39-V41 PolarHBondContact O-N 2.85Å; K39-G60 CarbonylContact O-C 3.51Å; K39-G60 WeakPolarHBondContact O-CA 3.5Å; K39-I61 PolarHBondContact N-O 2.8Å; K39-I61 PolarHBondContact O-N 3.49Å; K39-I63 HydrophobicContact CB-CG2 4.11Å
40I95.6Very high92Very high0 Ų068.7 Ų68.70%037%0.37CS..EExtended strand (participates in β ladder)trans-70.5113.2179.2-57.3167.7000109.2L25 R26 N28 G29 V31 M43 L58L25-I40 HydrophobicContact CB-CD1 3.93Å; L25-I40 HydrophobicContact CD1-CD1 4.31Å; L25-I40 HydrophobicContact CD2-CD1 4.29Å; L25-I40 HydrophobicContact CG-CD1 4.41Å; R26-I40 WeakPolarHBondContact O-CD1 3.29Å; N28-I40 WeakPolarHBondContact CA-O 3.39Å; N28-I40 PolarHBondContact N-O 3.22Å; G29-I40 PolarHBondContact O-N 2.82Å; V31-I40 HydrophobicContact CB-CD1 4.23Å; V31-I40 HydrophobicContact CB-CG1 4.4Å; V31-I40 HydrophobicContact CG1-CD1 3.91Å; V31-I40 HydrophobicContact CG1-CG1 3.61Å; I40-M43 HydrophobicContact CG2-CB 4.28Å; I40-L58 HydrophobicContact CD1-CD2 4.36Å; I40-L58 HydrophobicContact CG2-CD2 4.31Å
41V96.1Very high91.7Very high44 Ų4473.2 Ų73.227%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-94.6-31.6175.9-68.70000112.2K27 K39 V59 I61K27-V41 WeakPolarHBondContact CE-O 3.28Å; K39-V41 PolarHBondContact O-N 2.85Å; V41-V59 HydrophobicContact CG2-CB 4.16Å; V41-V59 HydrophobicContact CG2-CG1 3.87Å; V41-V59 VanDerWaalsContact CG2-O 3.22Å; V41-V59 WeakPolarHBondContact CG2-O 3.47Å; V41-V59 PolarHBondContact N-O 2.98Å; V41-I61 HydrophobicContact CG1-CB 4.34Å; V41-I61 HydrophobicContact CG1-CD1 3.62Å; V41-I61 HydrophobicContact CG1-CG1 3.67Å; V41-I61 HydrophobicContact CG2-CD1 4.41Å; V41-I61 HydrophobicContact CG2-CG1 4.06Å
42E94.3Very high91.1Very high110 Ų11074.7 Ų74.751%0.51441%0.408SS..EExtended strand (participates in β ladder)trans-142.9143.2178.5-160.8179.612900110.3V59E42-V59 HydrophobicContact CB-CB 3.96Å; E42-V59 HydrophobicContact CB-CG2 4.19Å; E42-V59 PolarHBondContact N-O 3.28Å; E42-V59 VanDerWaalsContact N-O 3.16Å; E42-V59 PolarHBondContact O-N 2.76Å
43M93.3Very high90.8Very high53 Ų5380 Ų8026%0.26143%0.43SS..EExtended strand (participates in β ladder)trans-141.4123.4176-179.8-173.8-174.100107.8C22 L25 I40 V56 H57 L58C22-M43 WeakPolarHBondContact O-CE 3.47Å; L25-M43 HydrophobicContact CB-CE 4.43Å; L25-M43 WeakPolarHBondContact O-CE 3.21Å; I40-M43 HydrophobicContact CG2-CB 4.28Å; M43-V56 HydrophobicContact CE-CG1 3.52Å; M43-V56 HydrophobicContact CE-CG2 4.38Å; M43-V56 HydrophobicContact CG-CG1 3.71Å; M43-V56 HydrophobicContact SD-CG1 4.44Å; M43-H57 WeakPolarHBondContact CA-O 3.17Å; M43-L58 HydrophobicContact CB-CD2 4.24Å; M43-L58 HydrophobicContact CG-CD2 3.86Å; M43-L58 HydrophobicContact SD-CD2 4.43Å
44S92.8Very high90.7Very high48 Ų4880.9 Ų80.934%0.33644%0.438SS..EExtended strand (participates in β ladder)trans-128.3138.8175.850.40000109.9V56 H57S44-V56 CarbonylContact O-C 3.54Å; S44-V56 WeakPolarHBondContact O-CA 3.49Å; S44-H57 PolarHBondContact N-O 3.31Å; S44-H57 PolarHBondContact O-N 2.87Å; S44-H57 PolarHBondContact OG-ND1 3.27Å
45T91.8Very high90.8Very high92 Ų9278 Ų7856%0.56443%0.425SS*.EExtended strand (participates in β ladder)trans-112.4127.5178.8-57.30000108.9A54 K55 V56T45-A54 HydrophobicContact CG2-CB 3.8Å; T45-K55 CarbonylContact C-O 3.49Å; T45-K55 WeakPolarHBondContact CA-O 3.44Å; T45-V56 HydrophobicContact CG2-CG2 4.46Å
46S90.9Very high91.1Very high63 Ų6374.7 Ų74.744%0.44139%0.391SS..EExtended strand (participates in β ladder)trans-117.6146.6176.962.40000110.5A54 K55S46-A54 CarbonylContact O-C 3.52Å; S46-A54 VanDerWaalsContact O-CA 3.31Å; S46-A54 WeakPolarHBondContact O-CA 3.43Å; S46-K55 PolarHBondContact N-O 2.61Å; S46-K55 PolarHBondContact O-N 3Å
47K88.3Confident91.2Very high174 Ų17472.4 Ų72.476%0.75739%0.385SS*.EExtended strand (participates in β ladder)trans-104123.9170.3-69.3-175.3178.8-179.10108G49K47-G49 PolarHBondContact O-N 3.25Å
48T84.5Confident91.2Very high81 Ų8170.9 Ų70.950%0.49738%0.375SS..  trans-87.532-177.757.30000113.7K55T48-K55 HydrophobicContact CG2-CD 3.56Å; T48-K55 HydrophobicContact CG2-CG 4.02Å
49G86.3Confident91.2Very high46 Ų4671.9 Ų71.947%0.47438%0.381SS..SBendtrans138-174.8177.900000113.9K47 H51K47-G49 PolarHBondContact O-N 3.25Å; G49-H51 PolarHBondContact O-N 2.86Å
50K84.1Confident91.2Very high195 Ų19568 Ų6885%0.84836%0.364SS*.SBendtrans-63.9-38.3-176.7-171.5-178.3-179.6-174.60113.7
51H88.4Confident91.3Very high165 Ų16570.5 Ų70.576%0.76438%0.377SS*.SBendtrans-118.29.8-179.2-60-73.9000112.7G49G49-H51 PolarHBondContact O-N 2.86Å
52G83.4Confident91.3Very high32 Ų3268.6 Ų68.633%0.3337%0.365SS..PPolyproline II helixtrans-75.3144.7-178.400000111.9
53H87.8Confident91.2Very high141 Ų14166.6 Ų66.665%0.65336%0.357SS*.PPolyproline II helixtrans-61.2145.1167.1-63.8-77.4000110.1
54A91.3Very high91.2Very high21 Ų2172 Ų7217%0.17438%0.379CS..EExtended strand (participates in β ladder)trans-67.2137.6172.500000109.4T45 S46 S75T45-A54 HydrophobicContact CG2-CB 3.8Å; S46-A54 CarbonylContact O-C 3.52Å; S46-A54 VanDerWaalsContact O-CA 3.31Å; S46-A54 WeakPolarHBondContact O-CA 3.43Å; A54-S75 WeakPolarHBondContact O-CB 3.35Å; A54-S75 PolarHBondContact O-N 2.84Å; A54-S75 PolarHBondContact O-OG 2.92Å
55K92.4Very high91.2Very high90 Ų9072.9 Ų72.939%0.39138%0.383SS..EExtended strand (participates in β ladder)trans-106138.5171.1-61.4-172.6-177.3-178.50108.1T45 S46 T48 I72T45-K55 CarbonylContact C-O 3.49Å; T45-K55 WeakPolarHBondContact CA-O 3.44Å; S46-K55 PolarHBondContact N-O 2.61Å; S46-K55 PolarHBondContact O-N 3Å; T48-K55 HydrophobicContact CG2-CD 3.56Å; T48-K55 HydrophobicContact CG2-CG 4.02Å; K55-I72 HydrophobicContact CB-CG2 4.15Å; K55-I72 HydrophobicContact CD-CG2 4.35Å
56V94.1Very high91.3Very high1 Ų171 Ų711%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-108.4123.8175.3-174.50000107.3C22 M43 S44 T45 L58 I72 C73C22-V56 WeakPolarHBondContact SG-CB 3.2Å; M43-V56 HydrophobicContact CE-CG1 3.52Å; M43-V56 HydrophobicContact CE-CG2 4.38Å; M43-V56 HydrophobicContact CG-CG1 3.71Å; M43-V56 HydrophobicContact SD-CG1 4.44Å; S44-V56 CarbonylContact O-C 3.54Å; S44-V56 WeakPolarHBondContact O-CA 3.49Å; T45-V56 HydrophobicContact CG2-CG2 4.46Å; V56-L58 HydrophobicContact CG1-CD2 3.96Å; V56-L58 HydrophobicContact CG1-CG 3.95Å; V56-I72 WeakPolarHBondContact O-CA 3.28Å; V56-C73 PolarHBondContact N-O 3.15Å; V56-C73 PolarHBondContact O-N 3.5Å
57H94.6Very high91.5Very high52 Ų5274 Ų7424%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-93.8119.5167.9175.7-107.6000108M43 S44 V59 I72M43-H57 WeakPolarHBondContact CA-O 3.17Å; S44-H57 PolarHBondContact N-O 3.31Å; S44-H57 PolarHBondContact O-N 2.87Å; S44-H57 PolarHBondContact OG-ND1 3.27Å; H57-V59 WeakPolarHBondContact CE1-CG2 3.28Å; H57-I72 HydrophobicContact CB-CG1 4.31Å
58L94.5Very high91.8Very high0 Ų073.4 Ų73.40%038%0.384CS..EExtended strand (participates in β ladder)trans-110.2128.7-178.7-69165.8000108.5L25 I40 M43 V56 E70 D71 C73 M79L25-L58 HydrophobicContact CD1-CD1 3.89Å; L25-L58 HydrophobicContact CD1-CD2 4.37Å; I40-L58 HydrophobicContact CD1-CD2 4.36Å; I40-L58 HydrophobicContact CG2-CD2 4.31Å; M43-L58 HydrophobicContact CB-CD2 4.24Å; M43-L58 HydrophobicContact CG-CD2 3.86Å; M43-L58 HydrophobicContact SD-CD2 4.43Å; V56-L58 HydrophobicContact CG1-CD2 3.96Å; V56-L58 HydrophobicContact CG1-CG 3.95Å; L58-E70 VanDerWaalsContact O-CA 3.3Å; L58-E70 WeakPolarHBondContact O-CA 3.49Å; L58-D71 PolarHBondContact N-O 2.83Å; L58-D71 PolarHBondContact O-N 3.47Å; L58-C73 VanDerWaalsContact CD1-SG 3.54Å; L58-M79 HydrophobicContact CD1-CE 4.26Å
59V95.6Very high92.4Very high21 Ų2171.8 Ų71.813%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-115.4119.7168.8-171.50000107.7V41 E42 H57V41-V59 HydrophobicContact CG2-CB 4.16Å; V41-V59 HydrophobicContact CG2-CG1 3.87Å; V41-V59 VanDerWaalsContact CG2-O 3.22Å; V41-V59 WeakPolarHBondContact CG2-O 3.47Å; V41-V59 PolarHBondContact N-O 2.98Å; E42-V59 HydrophobicContact CB-CB 3.96Å; E42-V59 HydrophobicContact CB-CG2 4.19Å; E42-V59 PolarHBondContact N-O 3.28Å; E42-V59 VanDerWaalsContact N-O 3.16Å; E42-V59 PolarHBondContact O-N 2.76Å; H57-V59 WeakPolarHBondContact CE1-CG2 3.28Å
60G96.3Very high92.7Very high0 Ų075.7 Ų75.70%038%0.375CS..EExtended strand (participates in β ladder)trans-121.2154.318000000112.6K39 K68 Y69K39-G60 CarbonylContact O-C 3.51Å; K39-G60 WeakPolarHBondContact O-CA 3.5Å; G60-K68 WeakPolarHBondContact O-CA 3.48Å; G60-Y69 PolarHBondContact N-O 2.81Å; G60-Y69 PolarHBondContact O-N 3.42Å; G60-Y69 VanDerWaalsContact O-O 3.08Å
61I96.5Very high93.2Very high52 Ų5269.3 Ų69.327%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-111.8125.3169.5-61-175000107.9C38 K39 V41 I63 K68C38-I61 CarbonylContact C-O 3.52Å; C38-I61 VanDerWaalsContact CA-O 3.28Å; C38-I61 WeakPolarHBondContact CA-O 3.22Å; K39-I61 PolarHBondContact N-O 2.8Å; K39-I61 PolarHBondContact O-N 3.49Å; V41-I61 HydrophobicContact CG1-CB 4.34Å; V41-I61 HydrophobicContact CG1-CD1 3.62Å; V41-I61 HydrophobicContact CG1-CG1 3.67Å; V41-I61 HydrophobicContact CG2-CD1 4.41Å; V41-I61 HydrophobicContact CG2-CG1 4.06Å; I61-I63 PolarHBondContact O-N 3.31Å; I61-K68 HydrophobicContact CD1-CG 4.42Å; I61-K68 HydrophobicContact CG1-CG 4.03Å
62D95.5Very high93.4Very high3 Ų366.5 Ų66.52%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-57124.6172.1179.6-13.5000110R36 F64 T65 G66 K67 Y69R36-D62 VanDerWaalsContact CD-OD2 3.28Å; R36-D62 WeakPolarHBondContact CD-OD2 3.48Å; R36-D62 IonicContact CZ-OD2 3.94Å; R36-D62 IonicContact NH1-OD2 3Å; R36-D62 PolarHBondContact NH1-OD2 2.88Å; D62-F64 PolarHBondContact O-N 2.85Å; D62-F64 PolarHBondContact OD1-N 3.09Å; D62-T65 WeakPolarHBondContact CB-OG1 3.21Å; D62-T65 PolarHBondContact OD1-N 2.91Å; D62-T65 WeakPolarHBondContact OD2-CB 3.3Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.32Å; D62-T65 PolarHBondContact OD2-OG1 3.16Å; D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.41Å; D62-G66 PolarHBondContact O-N 3.24Å; D62-K67 PolarHBondContact N-O 2.85Å; D62-Y69 HydrophobicContact CB-CD2 4.07Å; D62-Y69 HydrophobicContact CB-CE2 3.84Å
63I93.3Very high93.8Very high69 Ų6965.2 Ų65.235%0.35433%0.325SS..THydrogen-bonded Turntrans-68.8-20.4-175.965.5179.8000113.1F30 P37 K39 I61 I84F30-I63 HydrophobicContact CD1-CG2 4.25Å; F30-I63 HydrophobicContact CE1-CG2 4.05Å; P37-I63 HydrophobicContact CB-CD1 4.01Å; P37-I63 HydrophobicContact CB-CG1 4.39Å; P37-I63 HydrophobicContact CG-CD1 4.02Å; P37-I63 HydrophobicContact CG-CG1 4.15Å; P37-I63 PolarHBondContact O-N 2.83Å; K39-I63 HydrophobicContact CB-CG2 4.11Å; I61-I63 PolarHBondContact O-N 3.31Å; I63-I84 HydrophobicContact CD1-CD1 3.86Å
64F92.2Very high94Very high166 Ų16660.9 Ų60.973%0.72831%0.31SS*.THydrogen-bonded Turntrans-99.3-44.9-179.2-62.3-66.2000112.1P37 D62P37-F64 HydrophobicContact CG-CD2 3.91Å; P37-F64 HydrophobicContact CG-CE2 3.52Å; D62-F64 PolarHBondContact O-N 2.85Å; D62-F64 PolarHBondContact OD1-N 3.09Å
65T93.8Very high94Very high67 Ų6760.9 Ų60.941%0.41131%0.308SS..THydrogen-bonded Turntrans-98.4-10.7-174.971.70000114.5R36 D62 K67R36-T65 VanDerWaalsContact NH1-CG2 3.28Å; R36-T65 PolarHBondContact NH1-OG1 2.86Å; D62-T65 WeakPolarHBondContact CB-OG1 3.21Å; D62-T65 PolarHBondContact OD1-N 2.91Å; D62-T65 WeakPolarHBondContact OD2-CB 3.3Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.32Å; D62-T65 PolarHBondContact OD2-OG1 3.16Å; T65-K67 PolarHBondContact O-N 3.17Å; T65-K67 VanDerWaalsContact O-N 3.09Å
66G93.3Very high94Very high51 Ų5160.3 Ų60.353%0.52631%0.313SS..  trans67.63.7-176.700000114.2D62D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.41Å; D62-G66 PolarHBondContact O-N 3.24Å
67K95.3Very high93.9Very high128 Ų12865.6 Ų65.656%0.55734%0.337SS*.  trans-74.4140.7178.9-68.2-177.1179.1-176.80110.7D62 T65 Y69D62-K67 PolarHBondContact N-O 2.85Å; T65-K67 PolarHBondContact O-N 3.17Å; T65-K67 VanDerWaalsContact O-N 3.09Å; K67-Y69 HydrophobicContact CB-CE2 3.8Å; K67-Y69 WeakPolarHBondContact O-CD2 3.35Å
68K95.4Very high93.8Very high161 Ų16168.4 Ų68.470%0.735%0.354SS*.EExtended strand (participates in β ladder)trans-79.6136.6174.8-69-176.1178.7-174.70110.3G60 I61G60-K68 WeakPolarHBondContact O-CA 3.48Å; I61-K68 HydrophobicContact CD1-CG 4.42Å; I61-K68 HydrophobicContact CG1-CG 4.03Å
69Y95.6Very high93.7Very high47 Ų4769.6 Ų69.618%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-132.1141.3174.3-69.3-79.6000109.5K34 G60 D62 K67K34-Y69 HydrophobicContact CD-CD1 4.13Å; G60-Y69 PolarHBondContact N-O 2.81Å; G60-Y69 PolarHBondContact O-N 3.42Å; G60-Y69 VanDerWaalsContact O-O 3.08Å; D62-Y69 HydrophobicContact CB-CD2 4.07Å; D62-Y69 HydrophobicContact CB-CE2 3.84Å; K67-Y69 HydrophobicContact CB-CE2 3.8Å; K67-Y69 WeakPolarHBondContact O-CD2 3.35Å
70E94.2Very high93.6Very high127 Ų12772.4 Ų72.459%0.59337%0.374SS*.EExtended strand (participates in β ladder)trans-127.1147178.861.2-169.9-152.700110L58L58-E70 VanDerWaalsContact O-CA 3.3Å; L58-E70 WeakPolarHBondContact O-CA 3.49Å
71D93.3Very high93.5Very high62 Ų6272.7 Ų72.733%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-152.8155.7176.9-160.712.1000111.8L33 L58L33-D71 HydrophobicContact CD2-CB 3.92Å; L58-D71 PolarHBondContact N-O 2.83Å; L58-D71 PolarHBondContact O-N 3.47Å
72I92.9Very high93.3Very high105 Ų10570.9 Ų70.954%0.53837%0.368SS..EExtended strand (participates in β ladder)trans-123.8109.6178-60.1173.3000109K55 V56 H57K55-I72 HydrophobicContact CB-CG2 4.15Å; K55-I72 HydrophobicContact CD-CG2 4.35Å; V56-I72 WeakPolarHBondContact O-CA 3.28Å; H57-I72 HydrophobicContact CB-CG1 4.31Å
73C91.3Very high93Very high5 Ų575.4 Ų75.43%0.03439%0.392CS..EExtended strand (participates in β ladder)trans-108.6147.217443.70000112.4C22 V56 L58 M79C22-C73 HydrophobicContact CB-CB 4.15Å; C22-C73 WeakPolarHBondContact CB-SG 3.41Å; C22-C73 WeakPolarHBondContact SG-CB 3.24Å; C22-C73 CovalentContact SG-SG 2.08Å; C22-C73 PolarHBondContact SG-SG 2.66Å; V56-C73 PolarHBondContact N-O 3.15Å; V56-C73 PolarHBondContact O-N 3.5Å; L58-C73 VanDerWaalsContact CD1-SG 3.54Å; C73-M79 HydrophobicContact CB-CE 4.09Å; C73-M79 HydrophobicContact CB-SD 4.05Å
74P93.5Very high92.8Very high50 Ų5075.2 Ų75.233%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-56.2141.9160.1-19.331.1000110.1T76 H77P74-T76 PolarHBondContact O-N 3.49Å; P74-T76 VanDerWaalsContact O-N 3.08Å; P74-H77 HydrophobicContact CB-CB 4.42Å; P74-H77 PolarHBondContact O-N 3.04Å; P74-H77 VanDerWaalsContact O-N 3.09Å
75S91.5Very high92.5Very high21 Ų2175.2 Ų75.215%0.14739%0.39CS..THydrogen-bonded Turntrans-60.7-24.7-177.263.60000113.7Q21 S23 A54Q21-S75 WeakPolarHBondContact CG-O 3.36Å; S23-S75 WeakPolarHBondContact CB-O 3.49Å; S23-S75 PolarHBondContact N-O 2.8Å; A54-S75 WeakPolarHBondContact O-CB 3.35Å; A54-S75 PolarHBondContact O-N 2.84Å; A54-S75 PolarHBondContact O-OG 2.92Å
76T91.8Very high92.1Very high79 Ų7983.1 Ų83.149%0.48541%0.413SS..THydrogen-bonded Turntrans-90-11.6-179.153.60000114.1Q21 P74Q21-T76 PolarHBondContact NE2-O 2.95Å; P74-T76 PolarHBondContact O-N 3.49Å; P74-T76 VanDerWaalsContact O-N 3.08Å
77H92.6Very high91.8Very high112 Ų11285.6 Ų85.652%0.51941%0.414SS..SBendtrans-68.5142.9178.3-105.5-158.2000111.2C22 P74C22-H77 VanDerWaalsContact CB-O 3.3Å; C22-H77 WeakPolarHBondContact CB-O 3.43Å; C22-H77 PolarHBondContact N-O 2.08Å; P74-H77 HydrophobicContact CB-CB 4.42Å; P74-H77 PolarHBondContact O-N 3.04Å; P74-H77 VanDerWaalsContact O-N 3.09Å
78N92Very high91.3Very high111 Ų11185 Ų8559%0.59442%0.417SS*.EExtended strand (participates in β ladder)trans-79.8137.6169-68.1-32.9000109.4P19 M20P19-N78 HydrophobicContact CB-CB 4.39Å; M20-N78 WeakPolarHBondContact O-CA 3.45Å
79M92.3Very high90.7Very high25 Ų2583.3 Ų83.312%0.12341%0.407CS..EExtended strand (participates in β ladder)trans-121.3147.9174.6-63.5-68.6-97.200108.5M20 C22 L25 V31 L33 L58 C73M20-M79 PolarHBondContact N-O 2.81Å; M20-M79 PolarHBondContact O-N 2.8Å; C22-M79 HydrophobicContact CB-CG 3.96Å; L25-M79 HydrophobicContact CD1-CB 4.44Å; V31-M79 HydrophobicContact CG2-CB 3.93Å; L33-M79 HydrophobicContact CD2-CE 4.35Å; L58-M79 HydrophobicContact CD1-CE 4.26Å; C73-M79 HydrophobicContact CB-CE 4.09Å; C73-M79 HydrophobicContact CB-SD 4.05Å
80D93.2Very high90Very high79 Ų7985.2 Ų85.242%0.42242%0.417SS..EExtended strand (participates in β ladder)trans-73.7129.5174.2-76.3-72.2000111T17 V31 V32T17-D80 HydrophobicContact CG2-CB 4.19Å; T17-D80 PolarHBondContact OG1-OD1 2.81Å; V31-D80 WeakPolarHBondContact CG2-O 3.44Å; V32-D80 HydrophobicContact CB-CB 3.95Å; V32-D80 HydrophobicContact CG2-CB 3.95Å; V32-D80 PolarHBondContact N-O 2.95Å
81V93.3Very high89.3Confident6 Ų683.2 Ų83.24%0.03641%0.414CS..EExtended strand (participates in β ladder)trans-111.2125.1173178.90000108.7T17 Y18 M20 L25 F30T17-V81 CarbonylContact C-O 3.57Å; T17-V81 WeakPolarHBondContact CA-O 3.38Å; T17-V81 WeakPolarHBondContact CB-O 3.44Å; Y18-V81 HydrophobicContact CD1-CB 4.37Å; Y18-V81 WeakPolarHBondContact CD1-O 3.49Å; Y18-V81 HydrophobicContact CD2-CB 4.17Å; Y18-V81 HydrophobicContact CE1-CB 3.96Å; Y18-V81 HydrophobicContact CE1-CG1 3.69Å; Y18-V81 HydrophobicContact CE2-CB 3.72Å; Y18-V81 HydrophobicContact CE2-CG1 3.93Å; Y18-V81 HydrophobicContact CE2-CG2 4.29Å; Y18-V81 HydrophobicContact CG-CB 4.48Å; Y18-V81 PolarHBondContact N-O 2.91Å; Y18-V81 PolarHBondContact O-N 3.11Å; Y18-V81 WeakPolarHBondContact OH-CG1 3.32Å; M20-V81 HydrophobicContact CB-CG2 3.63Å; M20-V81 HydrophobicContact CG-CG2 4.46Å; M20-V81 HydrophobicContact SD-CG2 4.28Å; L25-V81 HydrophobicContact CD2-CG2 3.77Å; F30-V81 WeakPolarHBondContact O-CG1 3.44Å
82P93.5Very high88.6Confident15 Ų1582.5 Ų82.510%0.09741%0.414CS..EExtended strand (participates in β ladder)trans-73.7143.8179.131.3-34.3000111.1F30 V32 P37 I84F30-P82 HydrophobicContact CB-CG 3.86Å; V32-P82 HydrophobicContact CG2-CB 4.26Å; V32-P82 HydrophobicContact CG2-CG 4.31Å; P37-P82 HydrophobicContact CB-CB 4.07Å; P37-P82 HydrophobicContact CB-CG 3.87Å; P82-I84 HydrophobicContact CB-CG1 4.27Å; P82-I84 HydrophobicContact CG-CD1 4.09Å; P82-I84 HydrophobicContact CG-CG1 4.18Å; P82-I84 PolarHBondContact O-N 3.08Å
83N89.9Confident87.9Confident98 Ų9881 Ų8152%0.52441%0.41SS..  trans-81.5105.9171.1-165.8-19.2000109.9S16S16-N83 PolarHBondContact O-N 3.09Å; S16-N83 VanDerWaalsContact O-N 3.12Å
84I88.1Confident86.7Confident64 Ų6487 Ų8733%0.32844%0.439SS..  trans-107.4119.6-177.4-60.4-177.6000109.9F30 I63 P82F30-I84 HydrophobicContact CB-CD1 3.93Å; F30-I84 HydrophobicContact CD1-CD1 3.28Å; F30-I84 HydrophobicContact CD2-CD1 3.78Å; F30-I84 HydrophobicContact CE1-CD1 3.57Å; F30-I84 HydrophobicContact CE2-CD1 4.05Å; F30-I84 HydrophobicContact CG-CD1 3.38Å; F30-I84 HydrophobicContact CG-CG1 4.44Å; F30-I84 HydrophobicContact CZ-CD1 3.94Å; I63-I84 HydrophobicContact CD1-CD1 3.86Å; P82-I84 HydrophobicContact CB-CG1 4.27Å; P82-I84 HydrophobicContact CG-CD1 4.09Å; P82-I84 HydrophobicContact CG-CG1 4.18Å; P82-I84 PolarHBondContact O-N 3.08Å
85K86.3Confident85.3Confident166 Ų16689.7 Ų89.772%0.72246%0.457SS*.  trans-111.8129.9171.6-63.7179.5-177175.90109.2
86R85.6Confident83.7Confident233 Ų23391.9 Ų91.988%0.87948%0.477SS*.  trans-98.5121.6169.2-112.9-178.5-179.9173.3-3107.9
87N86.1Confident82.5Confident103 Ų10396.9 Ų96.955%0.55150%0.497SS*.  trans-114.3123.7172.4-64.4-23000107.1Y89N87-Y89 HydrophobicContact CB-CD2 4.28Å; N87-Y89 HydrophobicContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact O-CD2 3.32Å; N87-Y89 WeakPolarHBondContact O-CD2 3.35Å; N87-Y89 WeakPolarHBondContact O-CE2 3.3Å
88D84.6Confident81.3Confident115 Ų11597.5 Ų97.562%0.61551%0.514SS*.  trans-84.2136175.5-66.6-79.4000109.3P107 C108D88-P107 CarbonylContact O-C 3.52Å; D88-P107 WeakPolarHBondContact O-CA 3.31Å; D88-C108 HydrophobicContact CB-CB 3.97Å; D88-C108 PolarHBondContact O-N 2.79Å
89Y82.9Confident80Confident127 Ų12797.5 Ų97.550%0.49851%0.51SS..EExtended strand (participates in β ladder)trans-128.1137.6179.3-66.1-88.4000110.1N87 I105 K106 P107N87-Y89 HydrophobicContact CB-CD2 4.28Å; N87-Y89 HydrophobicContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact O-CD2 3.32Å; N87-Y89 WeakPolarHBondContact O-CD2 3.35Å; N87-Y89 WeakPolarHBondContact O-CE2 3.3Å; Y89-I105 HydrophobicContact CD1-CG2 3.68Å; Y89-I105 HydrophobicContact CG-CG2 4.04Å; Y89-K106 CarbonylContact C-O 3.6Å; Y89-K106 WeakPolarHBondContact CA-O 3.37Å; Y89-P107 HydrophobicContact CD1-CB 4.17Å; Y89-P107 HydrophobicContact CE1-CB 4.05Å
90Q81.5Confident78.7Confident86 Ų86104.1 Ų104.140%0.40254%0.541SS..EExtended strand (participates in β ladder)trans-93.9120.5168.8-174.6174.7-1.400108.9K106Q90-K106 HydrophobicContact CB-CG 3.93Å; Q90-K106 PolarHBondContact N-O 3.5Å; Q90-K106 PolarHBondContact O-N 2.78Å; Q90-K106 VanDerWaalsContact O-N 3.07Å
91V79.1Confident77.2Confident85 Ų85107.1 Ų107.152%0.51555%0.547SS..EExtended strand (participates in β ladder)trans-93.8121.3172.9-175.50000108.4V93 A102V91-V93 HydrophobicContact CG1-CG2 4.1Å; V91-A102 HydrophobicContact CG1-CB 4.44Å
92S79.6Confident75.8Confident48 Ų48110.4 Ų110.434%0.33657%0.574SS.*EExtended strand (participates in β ladder)trans-100.4113.2170.9-69.10000109.2V103 A104S92-V103 PolarHBondContact O-N 2.87Å; S92-V103 VanDerWaalsContact O-N 3.14Å; S92-A104 PolarHBondContact N-O 2.78Å
93V77.4Confident74.5Confident74 Ų74113.9 Ų113.945%0.44860%0.596SS.*EExtended strand (participates in β ladder)trans-97.1126.5174.9-169.70000107.5V91 E100V91-V93 HydrophobicContact CG1-CG2 4.1Å; V93-E100 HydrophobicContact CG1-CB 4.01Å; V93-E100 HydrophobicContact CG1-CG 4.27Å
94M65.5Low73.2Confident131 Ų131111.6 Ų111.665%0.64559%0.59SS**EExtended strand (participates in β ladder)trans-98.3126.5165.3-70.5-177.2133.600107.8V103M94-V103 HydrophobicContact CB-CG2 3.76Å; M94-V103 HydrophobicContact CG-CB 4.39Å; M94-V103 HydrophobicContact CG-CG2 3.9Å; M94-V103 HydrophobicContact SD-CG1 4.19Å; M94-V103 HydrophobicContact SD-CG2 4.2Å
95C63.7Low72.7Confident106 Ų106114 Ų11472%0.71660%0.603SS**EExtended strand (participates in β ladder)trans-89.9111.8173.5-166.80000108.1
96A59.5Low72.3Confident67 Ų67111.1 Ų111.155%0.55459%0.59SS**EExtended strand (participates in β ladder)trans-126.4122.2171.100000107.9S98 E99A96-S98 PolarHBondContact O-N 3.3Å; A96-E99 PolarHBondContact O-N 2.87Å
97M65.5Low71.8Confident184 Ų184104.3 Ų104.391%0.90658%0.576SS**THydrogen-bonded Turntrans45.756.3171.4-67.8176.316700114.4E99M97-E99 PolarHBondContact O-N 2.79Å; M97-E99 VanDerWaalsContact O-N 3.14Å
98S67.3Low70.8Confident125 Ų125102.6 Ų102.687%0.87457%0.571SS**THydrogen-bonded Turntrans68.95.6169.5-43.50000117.2A96A96-S98 PolarHBondContact O-N 3.3Å
99E65.4Low69.6Low110 Ų110110.3 Ų110.351%0.51460%0.599SS.*EExtended strand (participates in β ladder)trans-116.4132.1171.1-71.517779.900111A96 M97 Y101A96-E99 PolarHBondContact O-N 2.87Å; M97-E99 PolarHBondContact O-N 2.79Å; M97-E99 VanDerWaalsContact O-N 3.14Å; E99-Y101 HydrophobicContact CB-CD2 4.01Å; E99-Y101 HydrophobicContact CB-CE2 3.42Å; E99-Y101 VanDerWaalsContact CB-CE2 3.42Å; E99-Y101 HydrophobicContact CG-CE2 4.3Å; E99-Y101 PolarHBondContact OE1-OH 2.99Å
100E65.6Low68.9Low164 Ų164109.5 Ų109.577%0.76660%0.604SS**EExtended strand (participates in β ladder)trans-93.3111.7177-69.1-177.787.700109.9V93V93-E100 HydrophobicContact CG1-CB 4.01Å; V93-E100 HydrophobicContact CG1-CG 4.27Å
101Y61.4Low68.2Low143 Ų143110.7 Ų110.756%0.56162%0.615SS**EExtended strand (participates in β ladder)trans-111.4133.6172.4-69.2-86.5000110.3E99 V103E99-Y101 HydrophobicContact CB-CD2 4.01Å; E99-Y101 HydrophobicContact CB-CE2 3.42Å; E99-Y101 VanDerWaalsContact CB-CE2 3.42Å; E99-Y101 HydrophobicContact CG-CE2 4.3Å; E99-Y101 PolarHBondContact OE1-OH 2.99Å; Y101-V103 WeakPolarHBondContact O-CG2 3.34Å; Y101-V103 PolarHBondContact O-N 2.99Å
102A64Low67.6Low74 Ų74112.2 Ų112.261%0.61262%0.621SS**EExtended strand (participates in β ladder)trans-72.7112170.800000109V91V91-A102 HydrophobicContact CG1-CB 4.44Å
103V65.7Low66.9Low89 Ų89115.9 Ų115.954%0.53964%0.637SS.*EExtended strand (participates in β ladder)trans-97.6-29.8-172.8-173.40000112.1S92 M94 Y101S92-V103 PolarHBondContact O-N 2.87Å; S92-V103 VanDerWaalsContact O-N 3.14Å; M94-V103 HydrophobicContact CB-CG2 3.76Å; M94-V103 HydrophobicContact CG-CB 4.39Å; M94-V103 HydrophobicContact CG-CG2 3.9Å; M94-V103 HydrophobicContact SD-CG1 4.19Å; M94-V103 HydrophobicContact SD-CG2 4.2Å; Y101-V103 WeakPolarHBondContact O-CG2 3.34Å; Y101-V103 PolarHBondContact O-N 2.99Å
104A63Low66.3Low49 Ų49118.6 Ų118.641%0.40565%0.649SS.*EExtended strand (participates in β ladder)trans-151.3135176.200000111.8S92S92-A104 PolarHBondContact N-O 2.78Å
105I77.8Confident66.3Low116 Ų116117.7 Ų117.760%0.59565%0.649SS**EExtended strand (participates in β ladder)trans-113.7112.4168.3-59.3171.1000106Y89Y89-I105 HydrophobicContact CD1-CG2 3.68Å; Y89-I105 HydrophobicContact CG-CG2 4.04Å
106K76.7Confident66.5Low104 Ų104118.6 Ų118.645%0.45265%0.645SS.*EExtended strand (participates in β ladder)trans-114.9139174.965.7-179.3-177.6174.30110Y89 Q90 C108Y89-K106 CarbonylContact C-O 3.6Å; Y89-K106 WeakPolarHBondContact CA-O 3.37Å; Q90-K106 HydrophobicContact CB-CG 3.93Å; Q90-K106 PolarHBondContact N-O 3.5Å; Q90-K106 PolarHBondContact O-N 2.78Å; Q90-K106 VanDerWaalsContact O-N 3.07Å; K106-C108 PolarHBondContact O-N 3.48Å
107P74.8Confident67.1Low90 Ų90122.5 Ų122.558%0.58465%0.652SS**EExtended strand (participates in β ladder)trans-64.3129.8172.126-31.4000109.4D88 Y89 K109D88-P107 CarbonylContact O-C 3.52Å; D88-P107 WeakPolarHBondContact O-CA 3.31Å; Y89-P107 HydrophobicContact CD1-CB 4.17Å; Y89-P107 HydrophobicContact CE1-CB 4.05Å; P107-K109 PolarHBondContact O-N 3.18Å
108C65.9Low67.2Low67 Ų67117.4 Ų117.445%0.45363%0.63SS.*  trans-72.3121.8164.4-98.70000107.3D88 K106D88-C108 HydrophobicContact CB-CB 3.97Å; D88-C108 PolarHBondContact O-N 2.79Å; K106-C108 PolarHBondContact O-N 3.48Å
109K58.9Low67.2Low278 Ų278116.7 Ų116.7100%1.20961%0.608SS**  trans-82.60165.3-77.7-172.2178.4179.20109.8P107P107-K109 PolarHBondContact O-N 3.18Å

Retrieved 109 of 109 residues in 144.5 ms (Link to these results)