A0A068LN13_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LN13, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 118 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1Q65.7Low91.9Very high198 Ų19861.8 Ų61.893%0.92538%0.377SS*.  0121.60-165.7164.82200108.7R26Q1-R26 WeakPolarHBondContact O-CD 3.2Å; Q1-R26 PolarHBondContact O-NH1 3.09Å
2V78.4Confident92.3Very high28 Ų2858.4 Ų58.417%0.1736%0.356CS..  trans-54.8141.3174.6167.70000109.4F27 Y107V2-F27 HydrophobicContact CB-CD1 4.48Å; V2-F27 HydrophobicContact CG1-CD1 3.52Å; V2-F27 HydrophobicContact CG1-CE1 3.71Å; V2-F27 HydrophobicContact CG2-CB 4.44Å; V2-F27 HydrophobicContact CG2-CD1 4.3Å; V2-Y107 HydrophobicContact CB-CD1 3.58Å; V2-Y107 HydrophobicContact CB-CD2 4.36Å; V2-Y107 HydrophobicContact CB-CE1 3.54Å; V2-Y107 HydrophobicContact CB-CE2 4.34Å; V2-Y107 HydrophobicContact CB-CG 4Å; V2-Y107 HydrophobicContact CG1-CD1 3.68Å; V2-Y107 HydrophobicContact CG1-CD2 4.03Å; V2-Y107 HydrophobicContact CG1-CE1 4.12Å; V2-Y107 HydrophobicContact CG1-CE2 4.46Å; V2-Y107 HydrophobicContact CG1-CG 3.61Å; V2-Y107 HydrophobicContact CG2-CD1 4.34Å; V2-Y107 HydrophobicContact CG2-CD2 4.47Å; V2-Y107 HydrophobicContact CG2-CE1 3.92Å; V2-Y107 HydrophobicContact CG2-CE2 4.08Å
3Q88.5Confident92.8Very high99 Ų9961.8 Ų61.846%0.46337%0.366SS..EExtended strand (participates in β ladder)trans-135.8132179.2-163.5-177.8-4.500110.3V5 S25Q3-V5 HydrophobicContact CG-CG2 3.61Å; Q3-V5 VanDerWaalsContact NE2-CG2 3.26Å; Q3-S25 PolarHBondContact N-O 2.94Å; Q3-S25 PolarHBondContact O-N 3.18Å
4L94.8Very high93.2Very high7 Ų762.6 Ų62.64%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-112.5126167.1-66.4179.4000106.9A23 A24 F27 M34 C96 K98 Y107 G109L4-A23 WeakPolarHBondContact CA-O 3.33Å; L4-A24 HydrophobicContact CD2-CB 3.82Å; L4-F27 HydrophobicContact CD2-CE1 3.84Å; L4-F27 HydrophobicContact CD2-CZ 3.86Å; L4-M34 HydrophobicContact CD1-CE 4.4Å; L4-M34 HydrophobicContact CD2-CE 4.06Å; L4-C96 WeakPolarHBondContact CD1-O 3.43Å; L4-K98 HydrophobicContact CD1-CB 4.45Å; L4-Y107 WeakPolarHBondContact CD1-O 3.38Å; L4-G109 WeakPolarHBondContact O-CA 3.29Å
5V96.6Very high93.5Very high64 Ų6461.8 Ų61.839%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-124.7107.2-175.1-174.20000110.1Q3 C22 A23Q3-V5 HydrophobicContact CG-CG2 3.61Å; Q3-V5 VanDerWaalsContact NE2-CG2 3.26Å; V5-C22 WeakPolarHBondContact O-CA 3.46Å; V5-A23 PolarHBondContact N-O 3.46Å; V5-A23 PolarHBondContact O-N 3.2Å
6E98.2Very high93.7Very high21 Ų2167.6 Ų67.610%0.09840%0.395CS..EExtended strand (participates in β ladder)trans-78.6147.2176.1-60.592.5155.700113.2S21 C22 W36 Y95 C96 G109 Q110 G111 T112E6-S21 CarbonylContact C-O 3.59Å; E6-S21 VanDerWaalsContact CA-O 3.24Å; E6-S21 WeakPolarHBondContact CA-O 3.4Å; E6-C22 HydrophobicContact CG-CB 4.29Å; E6-W36 HydrophobicContact CB-CH2 4.39Å; E6-W36 HydrophobicContact CG-CH2 3.79Å; E6-W36 HydrophobicContact CG-CZ3 3.86Å; E6-Y95 VanDerWaalsContact OE1-CA 3.29Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.37Å; E6-C96 VanDerWaalsContact CD-SG 3.57Å; E6-C96 HydrophobicContact CG-CB 4.5Å; E6-C96 PolarHBondContact OE1-N 3.34Å; E6-C96 PolarHBondContact OE1-SG 3.5Å; E6-C96 VanDerWaalsContact OE1-SG 3.32Å; E6-G109 WeakPolarHBondContact OE1-CA 3.45Å; E6-G109 WeakPolarHBondContact OE2-CA 3.36Å; E6-Q110 PolarHBondContact OE2-N 2.84Å; E6-G111 VanDerWaalsContact CD-N 3.32Å; E6-G111 PolarHBondContact OE1-N 2.6Å; E6-G111 PolarHBondContact OE2-N 2.84Å; E6-T112 HydrophobicContact CB-CG2 3.83Å
7S98.1Very high94Very high58 Ų5866.9 Ų66.941%0.40640%0.396SS..EExtended strand (participates in β ladder)trans-154.5170.217164.60000111.4L20 S21S7-L20 WeakPolarHBondContact O-CA 3.33Å; S7-S21 PolarHBondContact N-O 3Å; S7-S21 PolarHBondContact O-N 3.24Å; S7-S21 PolarHBondContact OG-OG 2.87Å
8G97.6Very high94.2Very high39 Ų3965.5 Ų65.540%0.40239%0.386SS..  trans911.8179.100000114.7L20G8-L20 VanDerWaalsContact C-CD2 3.47Å
9G97.6Very high94.4Very high29 Ų2968.6 Ų68.630%0.29939%0.39SS..  trans-69168.7166.500000112.4T112 L113G9-T112 WeakPolarHBondContact CA-OG1 3.32Å; G9-T112 PolarHBondContact N-OG1 2.94Å; G9-L113 CarbonylContact C-O 3.58Å; G9-L113 VanDerWaalsContact CA-O 3.25Å; G9-L113 WeakPolarHBondContact CA-O 3.43Å
10G97.5Very high94.7Very high30 Ų3065.2 Ų65.231%0.30937%0.371SS..EExtended strand (participates in β ladder)trans157.7-173.4-17700000112.6L113 T115G10-L113 PolarHBondContact N-O 2.92Å; G10-T115 PolarHBondContact O-N 3Å
11V98Very high94.8Very high107 Ų10763.3 Ų63.365%0.64836%0.362SS*.EExtended strand (participates in β ladder)trans-92.9133.2177.1-173.40000109.4T115 S117V11-T115 CarbonylContact C-O 3.49Å; V11-T115 VanDerWaalsContact CA-O 3.32Å; V11-T115 WeakPolarHBondContact CA-O 3.42Å; V11-S117 WeakPolarHBondContact CG1-OG 3.39Å
12V97.2Very high96.4Very high21 Ų2153.9 Ų53.913%0.12732%0.318CS..EExtended strand (participates in β ladder)trans-144.2149.617876.90000111.1R16 L18 L86 T115 V116 S117V12-R16 HydrophobicContact CG2-CB 3.42Å; V12-R16 VanDerWaalsContact CG2-CB 3.42Å; V12-R16 HydrophobicContact CG2-CG 4.13Å; V12-L18 HydrophobicContact CB-CD1 3.94Å; V12-L18 HydrophobicContact CB-CG 4.17Å; V12-L18 HydrophobicContact CG1-CD1 3.79Å; V12-L18 HydrophobicContact CG1-CG 4.19Å; V12-L18 HydrophobicContact CG2-CG 4.33Å; V12-L86 HydrophobicContact CG1-CB 4.47Å; V12-L86 HydrophobicContact CG1-CD1 3.64Å; V12-T115 PolarHBondContact N-O 2.91Å; V12-V116 HydrophobicContact CG1-CG2 4.14Å; V12-V116 CarbonylContact O-C 3.53Å; V12-V116 VanDerWaalsContact O-CA 3.26Å; V12-V116 WeakPolarHBondContact O-CA 3.36Å; V12-S117 PolarHBondContact O-N 2.74Å
13Q97.9Very high97.3Very high103 Ų10354.7 Ų54.748%0.48133%0.327SS..  trans-72.2152173.9-70.3177.9-6.800112R16 S117Q13-R16 HydrophobicContact CB-CG 4.14Å; Q13-R16 VanDerWaalsContact O-CB 3.3Å; Q13-R16 WeakPolarHBondContact O-CB 3.26Å; Q13-R16 WeakPolarHBondContact O-CG 3.49Å; Q13-R16 PolarHBondContact O-N 3.12Å; Q13-S117 WeakPolarHBondContact CA-O 3.34Å
14P98.1Very high97.6Very high72 Ų7250.4 Ų50.447%0.46831%0.309SS..THydrogen-bonded Turntrans-52.2143.7172.3-25.233.1000113R16 L86 V116P14-R16 PolarHBondContact O-N 3.03Å; P14-L86 WeakPolarHBondContact CA-O 3.42Å; P14-V116 HydrophobicContact CB-CG1 4.31Å; P14-V116 HydrophobicContact CG-CG1 4.04Å
15G97.7Very high97.4Very high51 Ų5152.1 Ų52.153%0.52632%0.321SS..THydrogen-bonded Turntrans80.1-10.7-179.400000115L86G15-L86 PolarHBondContact N-O 2.89Å
16R98.1Very high97Very high154 Ų15457.5 Ų57.558%0.58134%0.335SS*.  trans-81.4176.7175-60.5-62.1-174.7166.10111.6V12 Q13 P14 S85 L86V12-R16 HydrophobicContact CG2-CB 3.42Å; V12-R16 VanDerWaalsContact CG2-CB 3.42Å; V12-R16 HydrophobicContact CG2-CG 4.13Å; Q13-R16 HydrophobicContact CB-CG 4.14Å; Q13-R16 VanDerWaalsContact O-CB 3.3Å; Q13-R16 WeakPolarHBondContact O-CB 3.26Å; Q13-R16 WeakPolarHBondContact O-CG 3.49Å; Q13-R16 PolarHBondContact O-N 3.12Å; P14-R16 PolarHBondContact O-N 3.03Å; R16-S85 PolarHBondContact O-N 3.3Å; R16-L86 WeakPolarHBondContact O-CB 3.3Å; R16-L86 PolarHBondContact O-N 3.27Å
17S98.1Very high96.5Very high57 Ų5757.9 Ų57.940%0.39934%0.336SS..  trans-119.8151-179.3-56.50000111.8M83 N84S17-M83 CarbonylContact C-O 3.41Å; S17-M83 WeakPolarHBondContact CA-O 3.38Å; S17-M83 VanDerWaalsContact CB-O 3.3Å; S17-M83 WeakPolarHBondContact CB-O 3.3Å; S17-N84 WeakPolarHBondContact CB-OD1 3.41Å; S17-N84 WeakPolarHBondContact OG-CA 3.35Å; S17-N84 PolarHBondContact OG-OD1 2.97Å
18L97.6Very high96Very high41 Ų4158.9 Ų58.922%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-133.5164.8167.6-77.4173.4000109.6V12 Q82 M83 L86 V114V12-L18 HydrophobicContact CB-CD1 3.94Å; V12-L18 HydrophobicContact CB-CG 4.17Å; V12-L18 HydrophobicContact CG1-CD1 3.79Å; V12-L18 HydrophobicContact CG1-CG 4.19Å; V12-L18 HydrophobicContact CG2-CG 4.33Å; L18-Q82 PolarHBondContact O-NE2 3.21Å; L18-M83 PolarHBondContact N-O 3.09Å; L18-M83 PolarHBondContact O-N 2.99Å; L18-L86 HydrophobicContact CB-CD1 4.07Å; L18-L86 HydrophobicContact CD1-CD1 4.17Å; L18-L86 HydrophobicContact CG-CD1 4.16Å; L18-V114 HydrophobicContact CD1-CG1 4.11Å
19R98.6Very high95.6Very high125 Ų12557 Ų5747%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-130.2116.1172.3-173.5176.6173.8-179.4-1.4109.4Y80 L81R19-Y80 VanDerWaalsContact NH2-CD1 3.27Å; R19-Y80 VanDerWaalsContact NH2-CD2 3.33Å; R19-L81 WeakPolarHBondContact CA-O 3.03Å
20L98.8Very high95.4Very high0 Ų057.5 Ų57.50%032%0.32CS..EExtended strand (participates in β ladder)trans-84.9149.4170.5-52.5-175.3000109.8S7 G8 W36 Y80 L81 M83 Y94 T112 V114S7-L20 WeakPolarHBondContact O-CA 3.33Å; G8-L20 VanDerWaalsContact C-CD2 3.47Å; L20-W36 HydrophobicContact CB-CH2 3.75Å; L20-W36 HydrophobicContact CB-CZ2 3.89Å; L20-W36 HydrophobicContact CB-CZ3 4.38Å; L20-W36 HydrophobicContact CD1-CE3 4.4Å; L20-W36 HydrophobicContact CD1-CH2 4.21Å; L20-W36 HydrophobicContact CD1-CZ3 4Å; L20-Y80 VanDerWaalsContact O-CA 3.3Å; L20-Y80 WeakPolarHBondContact O-CA 3.45Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 PolarHBondContact N-O 3.04Å; L20-L81 PolarHBondContact O-N 2.93Å; L20-M83 HydrophobicContact CD1-SD 3.59Å; L20-M83 VanDerWaalsContact CD1-SD 3.59Å; L20-M83 HydrophobicContact CD2-SD 4.41Å; L20-M83 HydrophobicContact CG-SD 3.63Å; L20-Y94 HydrophobicContact CD1-CD1 3.95Å; L20-Y94 HydrophobicContact CD1-CD2 4.29Å; L20-Y94 HydrophobicContact CD1-CG 3.67Å; L20-T112 HydrophobicContact CD1-CG2 4.08Å; L20-T112 HydrophobicContact CD2-CG2 3.91Å; L20-T112 HydrophobicContact CG-CG2 4.49Å; L20-V114 HydrophobicContact CD1-CG2 4.21Å; L20-V114 HydrophobicContact CD2-CG2 3.85Å
21S98.6Very high95.1Very high26 Ų2660.6 Ų60.618%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-131.3152.5167.274.30000110.5E6 S7 L79E6-S21 CarbonylContact C-O 3.59Å; E6-S21 VanDerWaalsContact CA-O 3.24Å; E6-S21 WeakPolarHBondContact CA-O 3.4Å; S7-S21 PolarHBondContact N-O 3Å; S7-S21 PolarHBondContact O-N 3.24Å; S7-S21 PolarHBondContact OG-OG 2.87Å; S21-L79 CarbonylContact C-O 3.56Å; S21-L79 VanDerWaalsContact CA-O 3.24Å; S21-L79 WeakPolarHBondContact CA-O 3.48Å
22C98.1Very high94.8Very high0 Ų058.3 Ų58.30%031%0.309CS..EExtended strand (participates in β ladder)trans-135109.2174.3164.40000108.8V5 E6 W36 T78 L79 C96V5-C22 WeakPolarHBondContact O-CA 3.46Å; E6-C22 HydrophobicContact CG-CB 4.29Å; C22-W36 HydrophobicContact CB-CH2 3.97Å; C22-W36 HydrophobicContact CB-CZ2 3.83Å; C22-T78 WeakPolarHBondContact O-CA 3.29Å; C22-L79 HydrophobicContact CB-CB 4.19Å; C22-L79 PolarHBondContact N-O 3.06Å; C22-L79 PolarHBondContact O-N 2.77Å; C22-C96 HydrophobicContact CB-CB 3.46Å; C22-C96 VanDerWaalsContact CB-CB 3.46Å; C22-C96 WeakPolarHBondContact CB-SG 3.43Å; C22-C96 WeakPolarHBondContact SG-CB 3.35Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.16Å
23A97.1Very high94.6Very high44 Ų4458 Ų5836%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-86.2126.6178.100000109.8L4 V5L4-A23 WeakPolarHBondContact CA-O 3.33Å; V5-A23 PolarHBondContact N-O 3.46Å; V5-A23 PolarHBondContact O-N 3.2Å
24A94.3Very high94.5Very high10 Ų1053.1 Ų53.18%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-98.4137.7176.700000110.9L4 F27 F29 N77L4-A24 HydrophobicContact CD2-CB 3.82Å; A24-F27 HydrophobicContact CB-CD1 4.44Å; A24-F27 HydrophobicContact CB-CE1 3.49Å; A24-F27 VanDerWaalsContact CB-CE1 3.49Å; A24-F27 HydrophobicContact CB-CE2 4.34Å; A24-F27 HydrophobicContact CB-CZ 3.43Å; A24-F27 VanDerWaalsContact CB-CZ 3.43Å; A24-F29 HydrophobicContact CB-CB 4.33Å; A24-F29 HydrophobicContact CB-CD2 3.46Å; A24-F29 VanDerWaalsContact CB-CD2 3.46Å; A24-F29 HydrophobicContact CB-CE2 4.14Å; A24-F29 HydrophobicContact CB-CG 4.24Å; A24-N77 HydrophobicContact CB-CB 4.3Å; A24-N77 WeakPolarHBondContact CB-O 3.46Å; A24-N77 PolarHBondContact N-O 3.02Å; A24-N77 WeakPolarHBondContact O-CB 3.3Å
25S92.3Very high94.5Very high43 Ų4350.4 Ų50.430%0.30127%0.265SS..EExtended strand (participates in β ladder)trans-134.9154.7171.872.50000111.6Q3 F27Q3-S25 PolarHBondContact N-O 2.94Å; Q3-S25 PolarHBondContact O-N 3.18Å; S25-F27 VanDerWaalsContact C-N 3.29Å; S25-F27 WeakPolarHBondContact O-CD1 3.38Å; S25-F27 PolarHBondContact O-N 3.22Å
26R88.1Confident94.5Very high177 Ų17748 Ų4867%0.66824%0.24SC*.SBendtrans67.225.6173.2-54.5166.3168.9178.2-1.1114.5Q1Q1-R26 WeakPolarHBondContact O-CD 3.2Å; Q1-R26 PolarHBondContact O-NH1 3.09Å
27F86.1Confident94.6Very high28 Ų2840.8 Ų40.812%0.12321%0.213CC..SBendtrans-152.4162160.868.2-83000110.5V2 L4 A24 S25 F29 Y32 K98V2-F27 HydrophobicContact CB-CD1 4.48Å; V2-F27 HydrophobicContact CG1-CD1 3.52Å; V2-F27 HydrophobicContact CG1-CE1 3.71Å; V2-F27 HydrophobicContact CG2-CB 4.44Å; V2-F27 HydrophobicContact CG2-CD1 4.3Å; L4-F27 HydrophobicContact CD2-CE1 3.84Å; L4-F27 HydrophobicContact CD2-CZ 3.86Å; A24-F27 HydrophobicContact CB-CD1 4.44Å; A24-F27 HydrophobicContact CB-CE1 3.49Å; A24-F27 VanDerWaalsContact CB-CE1 3.49Å; A24-F27 HydrophobicContact CB-CE2 4.34Å; A24-F27 HydrophobicContact CB-CZ 3.43Å; A24-F27 VanDerWaalsContact CB-CZ 3.43Å; S25-F27 VanDerWaalsContact C-N 3.29Å; S25-F27 WeakPolarHBondContact O-CD1 3.38Å; S25-F27 PolarHBondContact O-N 3.22Å; F27-F29 HydrophobicContact CE2-CB 4.16Å; F27-F29 HydrophobicContact CE2-CD2 4.07Å; F27-F29 HydrophobicContact CZ-CD2 4.06Å; F27-F29 PolarHBondContact O-N 3.5Å; F27-F29 VanDerWaalsContact O-N 3.09Å; F27-Y32 HydrophobicContact CB-CE2 4.42Å; F27-Y32 AromaticContact CD2-CD2 3.5Å; F27-Y32 HydrophobicContact CD2-CD2 3.5Å; F27-Y32 AromaticContact CD2-CE2 3.77Å; F27-Y32 HydrophobicContact CD2-CE2 3.77Å; F27-Y32 HydrophobicContact CD2-CG 4.46Å; F27-Y32 AromaticContact CE2-CD2 3.88Å; F27-Y32 HydrophobicContact CE2-CD2 3.88Å; F27-Y32 HydrophobicContact CE2-CG 4.5Å; F27-K98 HydrophobicContact CD2-CD 3.74Å; F27-K98 HydrophobicContact CE1-CD 4.3Å; F27-K98 HydrophobicContact CE2-CD 3.45Å; F27-K98 VanDerWaalsContact CE2-CD 3.45Å; F27-K98 HydrophobicContact CE2-CG 3.99Å; F27-K98 HydrophobicContact CG-CD 4.27Å; F27-K98 HydrophobicContact CZ-CD 3.75Å; F27-K98 HydrophobicContact CZ-CG 4.16Å
28T88.6Confident94.6Very high79 Ų7938.7 Ų38.749%0.48520%0.197SC..  trans-77.692.1175.5-54.10000109.6S30 N31 Y32T28-S30 WeakPolarHBondContact CG2-OG 3.36Å; T28-S30 PolarHBondContact O-N 3.34Å; T28-S30 VanDerWaalsContact O-N 3.09Å; T28-N31 PolarHBondContact O-N 2.94Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å
29F90.1Very high94.6Very high0 Ų040.3 Ų40.30%020%0.203CC..G310 helixtrans-55.1-29.1-175.6179.7-96000114.1A24 F27 N31 M34 R72 N74 N77 L79A24-F29 HydrophobicContact CB-CB 4.33Å; A24-F29 HydrophobicContact CB-CD2 3.46Å; A24-F29 VanDerWaalsContact CB-CD2 3.46Å; A24-F29 HydrophobicContact CB-CE2 4.14Å; A24-F29 HydrophobicContact CB-CG 4.24Å; F27-F29 HydrophobicContact CE2-CB 4.16Å; F27-F29 HydrophobicContact CE2-CD2 4.07Å; F27-F29 HydrophobicContact CZ-CD2 4.06Å; F27-F29 PolarHBondContact O-N 3.5Å; F27-F29 VanDerWaalsContact O-N 3.09Å; F29-N31 PolarHBondContact O-N 3.03Å; F29-M34 HydrophobicContact CD2-CG 4.32Å; F29-M34 HydrophobicContact CD2-SD 4.08Å; F29-M34 HydrophobicContact CE2-CE 3.94Å; F29-M34 HydrophobicContact CE2-CG 3.58Å; F29-M34 HydrophobicContact CE2-SD 3.74Å; F29-M34 HydrophobicContact CZ-CG 3.82Å; F29-R72 HydrophobicContact CE1-CB 4Å; F29-R72 HydrophobicContact CZ-CB 4.2Å; F29-R72 PolarHBondContact O-NH2 3.37Å; F29-R72 VanDerWaalsContact O-NH2 3.07Å; F29-N74 WeakPolarHBondContact CD1-OD1 3.25Å; F29-N77 HydrophobicContact CB-CB 3.83Å; F29-N77 WeakPolarHBondContact CB-OD1 3.34Å; F29-N77 HydrophobicContact CG-CB 4.23Å; F29-L79 HydrophobicContact CE2-CB 4.3Å; F29-L79 HydrophobicContact CZ-CB 4Å
30S91.6Very high94.6Very high40 Ų4034.9 Ų34.928%0.2819%0.185SC..G310 helixtrans-68.3-11.9177.559.90000114.7T28 Y53T28-S30 WeakPolarHBondContact CG2-OG 3.36Å; T28-S30 PolarHBondContact O-N 3.34Å; T28-S30 VanDerWaalsContact O-N 3.09Å; S30-Y53 WeakPolarHBondContact O-CB 3.48Å; S30-Y53 WeakPolarHBondContact O-CD2 3.16Å
31N91.1Very high94.4Very high94 Ų9440.2 Ų40.250%0.50322%0.219SC..G310 helixtrans-97.8-2.9-175.9-65.20.4000113.5T28 F29T28-N31 PolarHBondContact O-N 2.94Å; F29-N31 PolarHBondContact O-N 3.03Å
32Y92.1Very high94.3Very high60 Ų6043.4 Ų43.424%0.23526%0.257CS..SBendtrans-126.8146-172.2-60.9-82.7000111.6F27 T28 Y53 K98 D99F27-Y32 HydrophobicContact CB-CE2 4.42Å; F27-Y32 AromaticContact CD2-CD2 3.5Å; F27-Y32 HydrophobicContact CD2-CD2 3.5Å; F27-Y32 AromaticContact CD2-CE2 3.77Å; F27-Y32 HydrophobicContact CD2-CE2 3.77Å; F27-Y32 HydrophobicContact CD2-CG 4.46Å; F27-Y32 AromaticContact CE2-CD2 3.88Å; F27-Y32 HydrophobicContact CE2-CD2 3.88Å; F27-Y32 HydrophobicContact CE2-CG 4.5Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å; Y32-Y53 WeakPolarHBondContact O-CA 3.45Å; Y32-Y53 WeakPolarHBondContact O-CB 3.22Å; Y32-K98 HydrophobicContact CD1-CD 3.89Å; Y32-K98 HydrophobicContact CD1-CG 4.19Å; Y32-K98 HydrophobicContact CD2-CD 3.87Å; Y32-K98 HydrophobicContact CD2-CG 4.49Å; Y32-K98 HydrophobicContact CE1-CD 4.36Å; Y32-K98 HydrophobicContact CE2-CD 4.32Å; Y32-K98 HydrophobicContact CG-CD 3.62Å; Y32-K98 HydrophobicContact CG-CG 3.86Å; Y32-D99 WeakPolarHBondContact CD1-O 3.32Å
33D94Very high94.2Very high15 Ų1549 Ų498%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-75.9149.2168.4-67.3-9.3000109.6F50 S52 Y53 D99D33-F50 HydrophobicContact CB-CD2 4.36Å; D33-F50 HydrophobicContact CB-CE2 3.46Å; D33-F50 VanDerWaalsContact CB-CE2 3.46Å; D33-F50 HydrophobicContact CB-CZ 3.96Å; D33-F50 WeakPolarHBondContact OD2-CE2 3.38Å; D33-F50 VanDerWaalsContact OD2-CZ 3.29Å; D33-F50 WeakPolarHBondContact OD2-CZ 3.16Å; D33-S52 WeakPolarHBondContact OD1-CA 3.31Å; D33-Y53 PolarHBondContact OD1-N 3.07Å; D33-D99 HydrophobicContact CB-CB 4.3Å; D33-D99 PolarHBondContact O-N 2.59Å
34M96.1Very high94.1Very high0 Ų049.4 Ų49.40%029%0.289CS..EExtended strand (participates in β ladder)trans-132.9140.3-171-62.4-60.1-5200111.4L4 F29 F50 I51 L79 A97 K98L4-M34 HydrophobicContact CD1-CE 4.4Å; L4-M34 HydrophobicContact CD2-CE 4.06Å; F29-M34 HydrophobicContact CD2-CG 4.32Å; F29-M34 HydrophobicContact CD2-SD 4.08Å; F29-M34 HydrophobicContact CE2-CE 3.94Å; F29-M34 HydrophobicContact CE2-CG 3.58Å; F29-M34 HydrophobicContact CE2-SD 3.74Å; F29-M34 HydrophobicContact CZ-CG 3.82Å; M34-F50 WeakPolarHBondContact O-CA 3.18Å; M34-I51 HydrophobicContact CB-CG2 4.12Å; M34-I51 PolarHBondContact N-O 3.06Å; M34-I51 PolarHBondContact O-N 2.86Å; M34-L79 HydrophobicContact CB-CD1 3.79Å; M34-L79 HydrophobicContact CB-CD2 3.89Å; M34-L79 HydrophobicContact CB-CG 4.38Å; M34-L79 HydrophobicContact CE-CD2 4.47Å; M34-A97 WeakPolarHBondContact CE-O 3.15Å; M34-K98 HydrophobicContact CE-CB 4.32Å; M34-K98 HydrophobicContact SD-CB 4.15Å; M34-K98 HydrophobicContact SD-CG 3.89Å
35H97.6Very high94.3Very high14 Ų1453.7 Ų53.77%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-126.8150.1-173.7-60.3-120.1000110.8W47 A49 F50 C96 A97 D99 F105H35-W47 AromaticContact ND1-CD1 3.66Å; H35-W47 AromaticContact ND1-NE1 3.21Å; H35-W47 PolarHBondContact ND1-NE1 2.85Å; H35-A49 CarbonylContact C-O 3.55Å; H35-A49 VanDerWaalsContact CA-O 3.31Å; H35-A49 WeakPolarHBondContact CA-O 3.44Å; H35-F50 AromaticContact CD2-CD2 3.92Å; H35-F50 AromaticContact CE1-CD2 3.29Å; H35-F50 WeakPolarHBondContact CE1-CD2 3.29Å; H35-F50 AromaticContact CE1-CE2 3.88Å; H35-F50 AromaticContact ND1-CD2 3.83Å; H35-F50 AromaticContact NE2-CD2 3.3Å; H35-F50 VanDerWaalsContact NE2-CD2 3.3Å; H35-F50 WeakPolarHBondContact NE2-CD2 3.32Å; H35-F50 AromaticContact NE2-CE2 3.61Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.29Å; H35-A97 HydrophobicContact CB-CB 4.47Å; H35-A97 PolarHBondContact N-O 3.28Å; H35-A97 PolarHBondContact O-N 3.26Å; H35-D99 WeakPolarHBondContact NE2-CB 3.36Å; H35-D99 IonicContact NE2-OD2 3.5Å; H35-F105 HydrophobicContact CB-CE1 4.07Å; H35-F105 HydrophobicContact CB-CZ 4.39Å; H35-F105 AromaticContact CD2-CE1 3.47Å; H35-F105 VanDerWaalsContact CD2-CE1 3.47Å; H35-F105 WeakPolarHBondContact CD2-CE1 3.5Å; H35-F105 AromaticContact CE1-CE1 3.51Å; H35-F105 AromaticContact CE1-CZ 3.8Å; H35-F105 AromaticContact CG-CE1 3.45Å; H35-F105 VanDerWaalsContact CG-CE1 3.45Å; H35-F105 AromaticContact CG-CZ 3.89Å; H35-F105 AromaticContact ND1-CE1 3.48Å; H35-F105 WeakPolarHBondContact ND1-CE1 3.22Å; H35-F105 AromaticContact ND1-CZ 3.56Å; H35-F105 AromaticContact NE2-CE1 3.55Å
36W98.4Very high94.5Very high0 Ų054.4 Ų54.40%031%0.309CS..EExtended strand (participates in β ladder)trans-107.2135.4158.1-79.398.9000109.2E6 L20 C22 V48 A49 L79 L81 Y95 C96E6-W36 HydrophobicContact CB-CH2 4.39Å; E6-W36 HydrophobicContact CG-CH2 3.79Å; E6-W36 HydrophobicContact CG-CZ3 3.86Å; L20-W36 HydrophobicContact CB-CH2 3.75Å; L20-W36 HydrophobicContact CB-CZ2 3.89Å; L20-W36 HydrophobicContact CB-CZ3 4.38Å; L20-W36 HydrophobicContact CD1-CE3 4.4Å; L20-W36 HydrophobicContact CD1-CH2 4.21Å; L20-W36 HydrophobicContact CD1-CZ3 4Å; C22-W36 HydrophobicContact CB-CH2 3.97Å; C22-W36 HydrophobicContact CB-CZ2 3.83Å; W36-V48 HydrophobicContact CB-CB 4.25Å; W36-V48 WeakPolarHBondContact O-CB 3.38Å; W36-V48 PolarHBondContact O-N 3.38Å; W36-A49 PolarHBondContact N-O 3Å; W36-A49 PolarHBondContact O-N 2.77Å; W36-L79 HydrophobicContact CG-CD2 4.4Å; W36-L79 VanDerWaalsContact NE1-CD2 3.29Å; W36-L81 HydrophobicContact CB-CD2 4.18Å; W36-L81 HydrophobicContact CD2-CB 4.25Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CG-CB 4.2Å; W36-L81 HydrophobicContact CG-CD2 3.95Å; W36-L81 HydrophobicContact CG-CG 4.47Å; W36-L81 HydrophobicContact CZ2-CB 4.46Å; W36-Y95 WeakPolarHBondContact CA-O 3.27Å; W36-Y95 VanDerWaalsContact CE3-C 3.49Å; W36-Y95 VanDerWaalsContact CE3-O 3.27Å; W36-C96 HydrophobicContact CD2-CB 4.45Å; W36-C96 HydrophobicContact CE3-CB 4.37Å; W36-C96 HydrophobicContact CH2-CB 4.29Å; W36-C96 HydrophobicContact CZ2-CB 4.37Å; W36-C96 HydrophobicContact CZ3-CB 4.28Å
37V98.4Very high95Very high4 Ų450.1 Ų50.12%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-131.1146.5177.3-178.80000107L45 E46 Y94 Y95 W108V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.87Å; V37-L45 HydrophobicContact CG1-CG 4.42Å; V37-E46 CarbonylContact C-O 3.59Å; V37-E46 WeakPolarHBondContact CA-O 2.99Å; V37-E46 VanDerWaalsContact CG1-O 3.31Å; V37-E46 WeakPolarHBondContact CG1-O 3.24Å; V37-Y94 CarbonylContact O-C 3.52Å; V37-Y94 WeakPolarHBondContact O-CA 3.37Å; V37-Y95 PolarHBondContact N-O 3.01Å; V37-Y95 PolarHBondContact O-N 3.04Å; V37-W108 HydrophobicContact CB-CH2 4.01Å; V37-W108 HydrophobicContact CB-CZ3 3.68Å; V37-W108 HydrophobicContact CG1-CH2 3.92Å; V37-W108 HydrophobicContact CG1-CZ3 3.83Å; V37-W108 HydrophobicContact CG2-CH2 3.74Å; V37-W108 HydrophobicContact CG2-CZ3 3.82Å
38R98.3Very high95.5Very high13 Ų1348.8 Ų48.85%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-126.1157176.774.5177.6178.6-161.9-11.5111.8E46 V48 S63 D90 A92 V93 Y94R38-E46 HydrophobicContact CG-CB 4.08Å; R38-E46 IonicContact CZ-OE2 3.28Å; R38-E46 PolarHBondContact N-O 3.33Å; R38-E46 IonicContact NE-OE2 3.43Å; R38-E46 PolarHBondContact NE-OE2 3Å; R38-E46 VanDerWaalsContact NE-OE2 3.09Å; R38-E46 IonicContact NH2-OE2 2.7Å; R38-E46 PolarHBondContact NH2-OE2 2.81Å; R38-E46 PolarHBondContact O-N 2.79Å; R38-V48 HydrophobicContact CB-CG2 3.82Å; R38-V48 HydrophobicContact CG-CG2 3.61Å; R38-S63 PolarHBondContact NH2-OG 2.82Å; R38-D90 IonicContact NH1-OD1 2.68Å; R38-D90 PolarHBondContact NH1-OD1 2.81Å; R38-A92 HydrophobicContact CB-CB 3.84Å; R38-A92 HydrophobicContact CG-CB 4.2Å; R38-V93 CarbonylContact C-O 3.54Å; R38-V93 WeakPolarHBondContact CA-O 3.49Å; R38-Y94 HydrophobicContact CB-CD1 3.87Å; R38-Y94 HydrophobicContact CB-CD2 4.42Å; R38-Y94 HydrophobicContact CB-CE1 3.81Å; R38-Y94 HydrophobicContact CB-CE2 4.35Å; R38-Y94 HydrophobicContact CB-CG 4.19Å; R38-Y94 HydrophobicContact CG-CE1 4.5Å; R38-Y94 PolarHBondContact NH1-OH 2.7Å
39Q98.4Very high96Very high74 Ų7445 Ų4535%0.34626%0.264SS..EExtended strand (participates in β ladder)trans-132.8109.2170.8-170177.32600109.5K43 L45 A92 V93 Y95Q39-K43 WeakPolarHBondContact CG-O 3.44Å; Q39-K43 PolarHBondContact NE2-O 2.7Å; Q39-L45 HydrophobicContact CB-CD2 4.1Å; Q39-A92 WeakPolarHBondContact O-CA 3.3Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; Q39-V93 PolarHBondContact N-O 3.28Å; Q39-V93 PolarHBondContact O-N 3.29Å; Q39-Y95 HydrophobicContact CB-CE2 3.92Å
40A97.8Very high96.3Very high12 Ų1246.3 Ų46.310%0.09927%0.269CS..  trans-76.8155.6172.300000110.6G42 K43 A92A40-G42 PolarHBondContact O-N 3.45Å; A40-K43 HydrophobicContact CB-CB 4.23Å; A40-K43 HydrophobicContact CB-CD 4.03Å; A40-K43 HydrophobicContact CB-CG 4.17Å; A40-K43 PolarHBondContact O-N 2.86Å; A40-A92 HydrophobicContact CB-CB 4.37Å
41P95.7Very high96.6Very high111 Ų11144.5 Ų44.572%0.72126%0.256SS*.THydrogen-bonded Turntrans-53.6126.8176.5-25.634.6000112K43P41-K43 PolarHBondContact O-N 3.28Å
42G96.2Very high96.8Very high94 Ų9440.2 Ų40.297%0.96923%0.234SC*.THydrogen-bonded Turntrans73.96.7-179.600000115.5A40A40-G42 PolarHBondContact O-N 3.45Å
43K95.8Very high96.9Very high118 Ų11842.9 Ų42.951%0.51324%0.244SC..  trans-111.9163.6176.8-62.3-161.9-177.2177.70112.7Q39 A40 P41 E46Q39-K43 WeakPolarHBondContact CG-O 3.44Å; Q39-K43 PolarHBondContact NE2-O 2.7Å; A40-K43 HydrophobicContact CB-CB 4.23Å; A40-K43 HydrophobicContact CB-CD 4.03Å; A40-K43 HydrophobicContact CB-CG 4.17Å; A40-K43 PolarHBondContact O-N 2.86Å; P41-K43 PolarHBondContact O-N 3.28Å; K43-E46 WeakPolarHBondContact CD-OE1 3.18Å; K43-E46 IonicContact NZ-OE1 3.04Å
44G96.1Very high96.8Very high51 Ų5146 Ų4653%0.52626%0.261SS..  trans-73.3-178.5168.400000112.7
45L96.8Very high96.7Very high101 Ų10147 Ų4753%0.52927%0.271SS..EExtended strand (participates in β ladder)trans-70.7130.2172.4-69.9167.7000110.3V37 Q39 Y95 W108V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.87Å; V37-L45 HydrophobicContact CG1-CG 4.42Å; Q39-L45 HydrophobicContact CB-CD2 4.1Å; L45-Y95 HydrophobicContact CD2-CD2 4.16Å; L45-Y95 HydrophobicContact CD2-CE2 4.1Å; L45-W108 HydrophobicContact CD1-CH2 4.17Å; L45-W108 HydrophobicContact CD1-CZ3 4.44Å; L45-W108 HydrophobicContact CD2-CZ3 4.43Å
46E97.4Very high96.6Very high58 Ų5849.8 Ų49.827%0.27129%0.292SS..EExtended strand (participates in β ladder)trans-117.5122.1177.5-66176.3178.500108.8V37 R38 K43V37-E46 CarbonylContact C-O 3.59Å; V37-E46 WeakPolarHBondContact CA-O 2.99Å; V37-E46 VanDerWaalsContact CG1-O 3.31Å; V37-E46 WeakPolarHBondContact CG1-O 3.24Å; R38-E46 HydrophobicContact CG-CB 4.08Å; R38-E46 IonicContact CZ-OE2 3.28Å; R38-E46 PolarHBondContact N-O 3.33Å; R38-E46 IonicContact NE-OE2 3.43Å; R38-E46 PolarHBondContact NE-OE2 3Å; R38-E46 VanDerWaalsContact NE-OE2 3.09Å; R38-E46 IonicContact NH2-OE2 2.7Å; R38-E46 PolarHBondContact NH2-OE2 2.81Å; R38-E46 PolarHBondContact O-N 2.79Å; K43-E46 WeakPolarHBondContact CD-OE1 3.18Å; K43-E46 IonicContact NZ-OE1 3.04Å
47W97.6Very high96.5Very high87 Ų8753.6 Ų53.633%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-68.3138.1173.4174.984.6000110.6H35 A49 F50 Y60 E61H35-W47 AromaticContact ND1-CD1 3.66Å; H35-W47 AromaticContact ND1-NE1 3.21Å; H35-W47 PolarHBondContact ND1-NE1 2.85Å; W47-A49 VanDerWaalsContact CZ2-C 3.45Å; W47-A49 PolarHBondContact NE1-O 3.04Å; W47-F50 HydrophobicContact CZ2-CB 3.56Å; W47-Y60 VanDerWaalsContact CZ3-C 3.48Å; W47-E61 HydrophobicContact CE3-CB 3.85Å; W47-E61 HydrophobicContact CZ3-CB 3.83Å; W47-E61 VanDerWaalsContact CZ3-N 3.26Å; W47-E61 WeakPolarHBondContact O-CB 3.43Å
48V98.4Very high96.5Very high0 Ų057.6 Ų57.60%033%0.33CS..EExtended strand (participates in β ladder)trans-113.8-52.2-173.4-179.80000112W36 R38 E61 V64 F68 L81 Y94W36-V48 HydrophobicContact CB-CB 4.25Å; W36-V48 WeakPolarHBondContact O-CB 3.38Å; W36-V48 PolarHBondContact O-N 3.38Å; R38-V48 HydrophobicContact CB-CG2 3.82Å; R38-V48 HydrophobicContact CG-CG2 3.61Å; V48-E61 PolarHBondContact O-N 2.81Å; V48-V64 HydrophobicContact CG1-CG1 4.24Å; V48-V64 HydrophobicContact CG1-CG2 3.93Å; V48-F68 HydrophobicContact CG1-CD2 3.96Å; V48-F68 HydrophobicContact CG1-CE2 4.32Å; V48-L81 HydrophobicContact CG1-CD2 4.31Å; V48-Y94 HydrophobicContact CG2-CE1 4.3Å
49A98.4Very high96.5Very high0 Ų063.5 Ų63.50%035%0.353CS..EExtended strand (participates in β ladder)trans-157157.1-175.700000112.1H35 W36 W47 Y59 Y60 I70 L81H35-A49 CarbonylContact C-O 3.55Å; H35-A49 VanDerWaalsContact CA-O 3.31Å; H35-A49 WeakPolarHBondContact CA-O 3.44Å; W36-A49 PolarHBondContact N-O 3Å; W36-A49 PolarHBondContact O-N 2.77Å; W47-A49 VanDerWaalsContact CZ2-C 3.45Å; W47-A49 PolarHBondContact NE1-O 3.04Å; A49-Y59 CarbonylContact C-O 3.47Å; A49-Y59 VanDerWaalsContact CA-O 3.27Å; A49-Y59 WeakPolarHBondContact CA-O 3.3Å; A49-Y60 HydrophobicContact CB-CD1 3.81Å; A49-Y60 HydrophobicContact CB-CE1 4.13Å; A49-I70 HydrophobicContact CB-CB 4.1Å; A49-I70 HydrophobicContact CB-CD1 3.97Å; A49-I70 HydrophobicContact CB-CG2 4.31Å; A49-L81 HydrophobicContact CB-CD1 4.24Å
50F97.2Very high96.5Very high26 Ų2662.5 Ų62.511%0.11435%0.347CS..EExtended strand (participates in β ladder)trans-133146.9178.6165.1-92.8000110.7D33 M34 H35 W47 N57 K58 Y59 I70D33-F50 HydrophobicContact CB-CD2 4.36Å; D33-F50 HydrophobicContact CB-CE2 3.46Å; D33-F50 VanDerWaalsContact CB-CE2 3.46Å; D33-F50 HydrophobicContact CB-CZ 3.96Å; D33-F50 WeakPolarHBondContact OD2-CE2 3.38Å; D33-F50 VanDerWaalsContact OD2-CZ 3.29Å; D33-F50 WeakPolarHBondContact OD2-CZ 3.16Å; M34-F50 WeakPolarHBondContact O-CA 3.18Å; H35-F50 AromaticContact CD2-CD2 3.92Å; H35-F50 AromaticContact CE1-CD2 3.29Å; H35-F50 WeakPolarHBondContact CE1-CD2 3.29Å; H35-F50 AromaticContact CE1-CE2 3.88Å; H35-F50 AromaticContact ND1-CD2 3.83Å; H35-F50 AromaticContact NE2-CD2 3.3Å; H35-F50 VanDerWaalsContact NE2-CD2 3.3Å; H35-F50 WeakPolarHBondContact NE2-CD2 3.32Å; H35-F50 AromaticContact NE2-CE2 3.61Å; W47-F50 HydrophobicContact CZ2-CB 3.56Å; F50-N57 HydrophobicContact CE1-CB 4.33Å; F50-K58 VanDerWaalsContact O-CA 3.29Å; F50-K58 WeakPolarHBondContact O-CA 3.46Å; F50-Y59 AromaticContact CD1-CD2 3.44Å; F50-Y59 HydrophobicContact CD1-CD2 3.44Å; F50-Y59 VanDerWaalsContact CD1-CD2 3.44Å; F50-Y59 HydrophobicContact CD1-CE2 4.05Å; F50-Y59 HydrophobicContact CD1-CG 4.48Å; F50-Y59 AromaticContact CE1-CD2 3.91Å; F50-Y59 HydrophobicContact CE1-CD2 3.91Å; F50-Y59 HydrophobicContact CE1-CE2 4.05Å; F50-Y59 HydrophobicContact CG-CD2 4.24Å; F50-Y59 PolarHBondContact N-O 2.91Å; F50-Y59 PolarHBondContact O-N 2.98Å; F50-Y59 VanDerWaalsContact O-N 3.16Å; F50-I70 WeakPolarHBondContact O-CG2 3.39Å
51I97.7Very high96.5Very high2 Ų264.8 Ų64.81%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-139.6133.5165.3-171.8163.6000110.3M34 N57 K58 I70 R72 L79M34-I51 HydrophobicContact CB-CG2 4.12Å; M34-I51 PolarHBondContact N-O 3.06Å; M34-I51 PolarHBondContact O-N 2.86Å; I51-N57 WeakPolarHBondContact CA-O 3.43Å; I51-K58 HydrophobicContact CB-CG 4.46Å; I51-K58 HydrophobicContact CD1-CD 4.29Å; I51-K58 HydrophobicContact CD1-CG 4.19Å; I51-K58 HydrophobicContact CG1-CG 4.04Å; I51-I70 HydrophobicContact CB-CD1 4Å; I51-I70 HydrophobicContact CB-CG1 4.21Å; I51-I70 HydrophobicContact CB-CG2 4.04Å; I51-I70 HydrophobicContact CG2-CD1 3.69Å; I51-I70 HydrophobicContact CG2-CG1 3.98Å; I51-R72 HydrophobicContact CD1-CB 4.32Å; I51-R72 HydrophobicContact CD1-CG 3.76Å; I51-R72 HydrophobicContact CG1-CG 4.41Å; I51-L79 HydrophobicContact CG2-CD1 3.45Å; I51-L79 VanDerWaalsContact CG2-CD1 3.45Å
52S95.6Very high96.6Very high5 Ų565.7 Ų65.74%0.03535%0.354CS..  trans-68.7161.717856.50000112.7D33 D54 G55 S56 N57D33-S52 WeakPolarHBondContact OD1-CA 3.31Å; S52-D54 WeakPolarHBondContact CB-OD1 3.11Å; S52-D54 PolarHBondContact O-N 3.07Å; S52-D54 PolarHBondContact OG-OD1 3.09Å; S52-G55 WeakPolarHBondContact O-CA 3.3Å; S52-G55 PolarHBondContact O-N 2.86Å; S52-S56 PolarHBondContact OG-N 2.49Å; S52-N57 PolarHBondContact N-O 2.92Å; S52-N57 PolarHBondContact OG-N 3.23Å; S52-N57 PolarHBondContact OG-O 2.8Å
53Y93.2Very high96.6Very high115 Ų11563.5 Ų63.545%0.45132%0.324SS..THydrogen-bonded Turntrans-59.7-16.6-17878.9-90.4000114.3S30 Y32 D33 R72S30-Y53 WeakPolarHBondContact O-CB 3.48Å; S30-Y53 WeakPolarHBondContact O-CD2 3.16Å; Y32-Y53 WeakPolarHBondContact O-CA 3.45Å; Y32-Y53 WeakPolarHBondContact O-CB 3.22Å; D33-Y53 PolarHBondContact OD1-N 3.07Å; Y53-R72 PolarHBondContact O-NH1 2.93Å; Y53-R72 PolarHBondContact O-NH2 3Å
54D91.3Very high96.7Very high80 Ų8057.9 Ų57.943%0.42830%0.299SS..THydrogen-bonded Turntrans-106.6-8.6174.466.4-12.4000112.3S52 S56S52-D54 WeakPolarHBondContact CB-OD1 3.11Å; S52-D54 PolarHBondContact O-N 3.07Å; S52-D54 PolarHBondContact OG-OD1 3.09Å; D54-S56 VanDerWaalsContact C-N 3.3Å; D54-S56 PolarHBondContact OD1-N 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.47Å; D54-S56 WeakPolarHBondContact OD2-CB 3.41Å; D54-S56 PolarHBondContact OD2-OG 2.95Å
55G94.6Very high96.8Very high21 Ų2162 Ų6222%0.21630%0.303CS..SBendtrans78.83.7-178.200000115.6S52S52-G55 WeakPolarHBondContact O-CA 3.3Å; S52-G55 PolarHBondContact O-N 2.86Å
56S95.1Very high96.8Very high73 Ų7361 Ų6151%0.5132%0.318SS..  trans-73.9-37.6-17665.20000112.7S52 D54S52-S56 PolarHBondContact OG-N 2.49Å; D54-S56 VanDerWaalsContact C-N 3.3Å; D54-S56 PolarHBondContact OD1-N 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.47Å; D54-S56 WeakPolarHBondContact OD2-CB 3.41Å; D54-S56 PolarHBondContact OD2-OG 2.95Å
57N96.9Very high96.8Very high81 Ų8159.4 Ų59.443%0.43331%0.309SS..  trans-105135.7-179.2-66.1-44.5000111.1F50 I51 S52 Y59F50-N57 HydrophobicContact CE1-CB 4.33Å; I51-N57 WeakPolarHBondContact CA-O 3.43Å; S52-N57 PolarHBondContact N-O 2.92Å; S52-N57 PolarHBondContact OG-N 3.23Å; S52-N57 PolarHBondContact OG-O 2.8Å; N57-Y59 HydrophobicContact CB-CE2 4.25Å
58K98.2Very high96.9Very high88 Ų8855.5 Ų55.538%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-139.4131.3177.6-58.7178.8-169.9-174.20109.9F50 I51 Y60 I70F50-K58 VanDerWaalsContact O-CA 3.29Å; F50-K58 WeakPolarHBondContact O-CA 3.46Å; I51-K58 HydrophobicContact CB-CG 4.46Å; I51-K58 HydrophobicContact CD1-CD 4.29Å; I51-K58 HydrophobicContact CD1-CG 4.19Å; I51-K58 HydrophobicContact CG1-CG 4.04Å; K58-Y60 HydrophobicContact CB-CE2 4.01Å; K58-I70 HydrophobicContact CB-CG2 4.26Å; K58-I70 HydrophobicContact CD-CG2 4.18Å; K58-I70 HydrophobicContact CG-CG2 4.19Å; K58-I70 PolarHBondContact NZ-O 2.88Å
59Y98.1Very high96.9Very high137 Ų13758.6 Ų58.654%0.53731%0.313SS..EExtended strand (participates in β ladder)trans-125.7151.2174.4-57.6-78.3000109.6A49 F50 N57A49-Y59 CarbonylContact C-O 3.47Å; A49-Y59 VanDerWaalsContact CA-O 3.27Å; A49-Y59 WeakPolarHBondContact CA-O 3.3Å; F50-Y59 AromaticContact CD1-CD2 3.44Å; F50-Y59 HydrophobicContact CD1-CD2 3.44Å; F50-Y59 VanDerWaalsContact CD1-CD2 3.44Å; F50-Y59 HydrophobicContact CD1-CE2 4.05Å; F50-Y59 HydrophobicContact CD1-CG 4.48Å; F50-Y59 AromaticContact CE1-CD2 3.91Å; F50-Y59 HydrophobicContact CE1-CD2 3.91Å; F50-Y59 HydrophobicContact CE1-CE2 4.05Å; F50-Y59 HydrophobicContact CG-CD2 4.24Å; F50-Y59 PolarHBondContact N-O 2.91Å; F50-Y59 PolarHBondContact O-N 2.98Å; F50-Y59 VanDerWaalsContact O-N 3.16Å; N57-Y59 HydrophobicContact CB-CE2 4.25Å
60Y98.6Very high96.9Very high53 Ų5358.6 Ų58.621%0.20831%0.313CS..EExtended strand (participates in β ladder)trans-137.5145-178.5-58.7-88.9000108.9W47 A49 K58 F68 I70W47-Y60 VanDerWaalsContact CZ3-C 3.48Å; A49-Y60 HydrophobicContact CB-CD1 3.81Å; A49-Y60 HydrophobicContact CB-CE1 4.13Å; K58-Y60 HydrophobicContact CB-CE2 4.01Å; Y60-F68 VanDerWaalsContact CE1-O 3.29Å; Y60-F68 WeakPolarHBondContact CE1-O 3.31Å; Y60-I70 HydrophobicContact CE1-CB 4.18Å; Y60-I70 HydrophobicContact CE1-CG2 3.85Å; Y60-I70 PolarHBondContact OH-N 3.27Å; Y60-I70 VanDerWaalsContact OH-N 3.09Å
61E97.9Very high97Very high60 Ų6059.2 Ų59.228%0.2832%0.321SS..  trans-69.7147.1168.8-177.6-87.7156.200109.9W47 V48 S63 V64 K65W47-E61 HydrophobicContact CE3-CB 3.85Å; W47-E61 HydrophobicContact CZ3-CB 3.83Å; W47-E61 VanDerWaalsContact CZ3-N 3.26Å; W47-E61 WeakPolarHBondContact O-CB 3.43Å; V48-E61 PolarHBondContact O-N 2.81Å; E61-S63 VanDerWaalsContact C-N 3.28Å; E61-S63 VanDerWaalsContact CD-OG 3.23Å; E61-S63 PolarHBondContact O-N 2.83Å; E61-S63 WeakPolarHBondContact OE1-CB 3.28Å; E61-S63 PolarHBondContact OE1-N 2.92Å; E61-S63 VanDerWaalsContact OE1-N 3.09Å; E61-S63 PolarHBondContact OE1-OG 3.47Å; E61-S63 WeakPolarHBondContact OE2-CA 3.48Å; E61-S63 WeakPolarHBondContact OE2-CB 3.43Å; E61-S63 PolarHBondContact OE2-N 2.84Å; E61-S63 PolarHBondContact OE2-OG 2.96Å; E61-V64 HydrophobicContact CB-CG2 4.33Å; E61-V64 VanDerWaalsContact O-CG2 3.25Å; E61-V64 WeakPolarHBondContact O-CG2 3.25Å; E61-V64 PolarHBondContact O-N 2.95Å; E61-V64 VanDerWaalsContact O-N 3.13Å; E61-V64 PolarHBondContact OE2-N 2.02Å; E61-K65 PolarHBondContact O-N 3.32Å; E61-K65 VanDerWaalsContact O-N 3.08Å
62D97.8Very high97Very high129 Ų12960.9 Ų60.969%0.6933%0.327SS*.THydrogen-bonded Turntrans-63.5-32.2-168.7-76-29.6000112.6V64 K65D62-V64 PolarHBondContact O-N 2.93Å; D62-K65 PolarHBondContact O-N 2.97Å
63S96.3Very high97Very high48 Ų4862.6 Ų62.634%0.33634%0.336SS..THydrogen-bonded Turntrans-66.1-21.9178.588.20000113.9R38 E61 R67R38-S63 PolarHBondContact NH2-OG 2.82Å; E61-S63 VanDerWaalsContact C-N 3.28Å; E61-S63 VanDerWaalsContact CD-OG 3.23Å; E61-S63 PolarHBondContact O-N 2.83Å; E61-S63 WeakPolarHBondContact OE1-CB 3.28Å; E61-S63 PolarHBondContact OE1-N 2.92Å; E61-S63 VanDerWaalsContact OE1-N 3.09Å; E61-S63 PolarHBondContact OE1-OG 3.47Å; E61-S63 WeakPolarHBondContact OE2-CA 3.48Å; E61-S63 WeakPolarHBondContact OE2-CB 3.43Å; E61-S63 PolarHBondContact OE2-N 2.84Å; E61-S63 PolarHBondContact OE2-OG 2.96Å; S63-R67 PolarHBondContact O-NH2 3.11Å
64V98Very high97.1Very high0 Ų060 Ų600%033%0.33CS..THydrogen-bonded Turntrans-110.9-9.8-178.2-59.20000113.9V48 E61 D62 G66 R67 F68V48-V64 HydrophobicContact CG1-CG1 4.24Å; V48-V64 HydrophobicContact CG1-CG2 3.93Å; E61-V64 HydrophobicContact CB-CG2 4.33Å; E61-V64 VanDerWaalsContact O-CG2 3.25Å; E61-V64 WeakPolarHBondContact O-CG2 3.25Å; E61-V64 PolarHBondContact O-N 2.95Å; E61-V64 VanDerWaalsContact O-N 3.13Å; E61-V64 PolarHBondContact OE2-N 2.02Å; D62-V64 PolarHBondContact O-N 2.93Å; V64-G66 PolarHBondContact O-N 2.88Å; V64-R67 PolarHBondContact O-N 2.88Å; V64-F68 HydrophobicContact CB-CB 4.11Å; V64-F68 HydrophobicContact CB-CD1 4.36Å; V64-F68 HydrophobicContact CB-CD2 3.62Å; V64-F68 HydrophobicContact CB-CE2 4.04Å; V64-F68 HydrophobicContact CB-CG 3.79Å; V64-F68 HydrophobicContact CG1-CD2 3.65Å; V64-F68 HydrophobicContact CG1-CE2 3.54Å; V64-F68 HydrophobicContact CG1-CG 4.23Å; V64-F68 HydrophobicContact CG1-CZ 4.03Å; V64-F68 HydrophobicContact CG2-CB 4.45Å; V64-F68 HydrophobicContact CG2-CD2 4.21Å; V64-F68 PolarHBondContact O-N 3.32Å
65K97.1Very high97.2Very high137 Ų13761 Ų6160%0.59634%0.344SS*.THydrogen-bonded Turntrans-57.3132.8-178.3-164.9172.4-174.6174.70111.6E61 D62 R67E61-K65 PolarHBondContact O-N 3.32Å; E61-K65 VanDerWaalsContact O-N 3.08Å; D62-K65 PolarHBondContact O-N 2.97Å; K65-R67 PolarHBondContact O-N 3.01Å
66G97.3Very high97.2Very high82 Ų8266.2 Ų66.285%0.84536%0.36SS*.THydrogen-bonded Turntrans79-8.4-176.700000115.1V64V64-G66 PolarHBondContact O-N 2.88Å
67R98.4Very high97.3Very high24 Ų2465.6 Ų65.69%0.09135%0.351CS..THydrogen-bonded Turntrans-108.4-40.2175.2-61.6-169.3-58.4115.5-0.5111.9S63 V64 K65 N84 S85 D90S63-R67 PolarHBondContact O-NH2 3.11Å; V64-R67 PolarHBondContact O-N 2.88Å; K65-R67 PolarHBondContact O-N 3.01Å; R67-N84 WeakPolarHBondContact CB-O 2.98Å; R67-N84 VanDerWaalsContact O-CB 3.31Å; R67-N84 WeakPolarHBondContact O-CB 3.24Å; R67-N84 PolarHBondContact O-N 3.07Å; R67-N84 PolarHBondContact O-ND2 3.49Å; R67-S85 PolarHBondContact NH1-O 3.21Å; R67-D90 IonicContact CZ-OD1 3.58Å; R67-D90 IonicContact CZ-OD2 3.88Å; R67-D90 IonicContact NH1-OD1 3.63Å; R67-D90 IonicContact NH1-OD2 3.81Å; R67-D90 PolarHBondContact NH1-OD2 3.32Å; R67-D90 IonicContact NH2-OD1 3.58Å; R67-D90 PolarHBondContact NH2-OD1 3Å; R67-D90 IonicContact NH2-OD2 2.98Å; R67-D90 PolarHBondContact NH2-OD2 3.16Å
68F98.6Very high97.3Very high4 Ų462.5 Ų62.52%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-103.2145.9-177.1-67.212000110.7V48 Y60 V64 L81 Q82 M83 L86 D90 Y94V48-F68 HydrophobicContact CG1-CD2 3.96Å; V48-F68 HydrophobicContact CG1-CE2 4.32Å; Y60-F68 VanDerWaalsContact CE1-O 3.29Å; Y60-F68 WeakPolarHBondContact CE1-O 3.31Å; V64-F68 HydrophobicContact CB-CB 4.11Å; V64-F68 HydrophobicContact CB-CD1 4.36Å; V64-F68 HydrophobicContact CB-CD2 3.62Å; V64-F68 HydrophobicContact CB-CE2 4.04Å; V64-F68 HydrophobicContact CB-CG 3.79Å; V64-F68 HydrophobicContact CG1-CD2 3.65Å; V64-F68 HydrophobicContact CG1-CE2 3.54Å; V64-F68 HydrophobicContact CG1-CG 4.23Å; V64-F68 HydrophobicContact CG1-CZ 4.03Å; V64-F68 HydrophobicContact CG2-CB 4.45Å; V64-F68 HydrophobicContact CG2-CD2 4.21Å; V64-F68 PolarHBondContact O-N 3.32Å; F68-L81 HydrophobicContact CB-CD1 4.23Å; F68-L81 HydrophobicContact CD2-CD2 4.07Å; F68-L81 HydrophobicContact CD2-CG 4.4Å; F68-Q82 CarbonylContact C-O 3.59Å; F68-Q82 VanDerWaalsContact CA-O 3.25Å; F68-Q82 WeakPolarHBondContact CA-O 3.47Å; F68-M83 HydrophobicContact CD1-CB 3.92Å; F68-M83 HydrophobicContact CD1-CG 4.11Å; F68-M83 HydrophobicContact CD2-CG 3.92Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CG 4.06Å; F68-M83 HydrophobicContact CE2-CB 4.45Å; F68-M83 HydrophobicContact CE2-CE 3.86Å; F68-M83 HydrophobicContact CE2-CG 3.85Å; F68-M83 HydrophobicContact CE2-SD 4.41Å; F68-M83 HydrophobicContact CG-CB 4.38Å; F68-M83 HydrophobicContact CG-CG 4.07Å; F68-M83 HydrophobicContact CZ-CB 4.06Å; F68-M83 HydrophobicContact CZ-CE 3.71Å; F68-M83 HydrophobicContact CZ-CG 3.95Å; F68-L86 HydrophobicContact CE1-CD2 3.92Å; F68-L86 HydrophobicContact CZ-CD2 3.79Å; F68-D90 HydrophobicContact CZ-CB 4.26Å; F68-Y94 HydrophobicContact CE2-CE1 4.32Å
69T98.7Very high97.3Very high65 Ų6558.3 Ų58.340%0.39932%0.317SS..EExtended strand (participates in β ladder)trans-132.8117.9178.3-56.40000109.7Q82T69-Q82 PolarHBondContact N-O 2.87Å; T69-Q82 PolarHBondContact O-N 2.84Å
70I98.8Very high97.3Very high0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-88.7137.6173.8-164.6172.4000109.9A49 F50 I51 K58 Y60 L79 Y80 L81A49-I70 HydrophobicContact CB-CB 4.1Å; A49-I70 HydrophobicContact CB-CD1 3.97Å; A49-I70 HydrophobicContact CB-CG2 4.31Å; F50-I70 WeakPolarHBondContact O-CG2 3.39Å; I51-I70 HydrophobicContact CB-CD1 4Å; I51-I70 HydrophobicContact CB-CG1 4.21Å; I51-I70 HydrophobicContact CB-CG2 4.04Å; I51-I70 HydrophobicContact CG2-CD1 3.69Å; I51-I70 HydrophobicContact CG2-CG1 3.98Å; K58-I70 HydrophobicContact CB-CG2 4.26Å; K58-I70 HydrophobicContact CD-CG2 4.18Å; K58-I70 HydrophobicContact CG-CG2 4.19Å; K58-I70 PolarHBondContact NZ-O 2.88Å; Y60-I70 HydrophobicContact CE1-CB 4.18Å; Y60-I70 HydrophobicContact CE1-CG2 3.85Å; Y60-I70 PolarHBondContact OH-N 3.27Å; Y60-I70 VanDerWaalsContact OH-N 3.09Å; I70-L79 HydrophobicContact CD1-CD1 4.02Å; I70-L79 HydrophobicContact CG1-CD1 3.99Å; I70-Y80 WeakPolarHBondContact CA-O 3.47Å; I70-Y80 WeakPolarHBondContact CG1-O 3.4Å; I70-L81 HydrophobicContact CB-CD1 4.17Å
71S98.5Very high97.3Very high40 Ų4050.9 Ų50.928%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-148.3165.2175.564.60000110.3Y80S71-Y80 PolarHBondContact N-O 2.68Å; S71-Y80 PolarHBondContact O-N 2.98Å
72R97.6Very high97.4Very high36 Ų3650.8 Ų50.814%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-145.9153.3-178.466.7-168-75.3-10115.1111.2F29 I51 Y53 N74 T78 L79F29-R72 HydrophobicContact CE1-CB 4Å; F29-R72 HydrophobicContact CZ-CB 4.2Å; F29-R72 PolarHBondContact O-NH2 3.37Å; F29-R72 VanDerWaalsContact O-NH2 3.07Å; I51-R72 HydrophobicContact CD1-CB 4.32Å; I51-R72 HydrophobicContact CD1-CG 3.76Å; I51-R72 HydrophobicContact CG1-CG 4.41Å; Y53-R72 PolarHBondContact O-NH1 2.93Å; Y53-R72 PolarHBondContact O-NH2 3Å; R72-N74 PolarHBondContact NE-OD1 2.9Å; R72-N74 PolarHBondContact NH1-ND2 3.01Å; R72-N74 PolarHBondContact NH1-OD1 3.29Å; R72-N74 PolarHBondContact NH2-OD1 3.41Å; R72-T78 CarbonylContact C-O 3.54Å; R72-T78 WeakPolarHBondContact CA-O 3.35Å; R72-L79 HydrophobicContact CB-CD1 4.16Å
73D96.6Very high97.4Very high41 Ų4144.6 Ų44.622%0.21925%0.254CS..EExtended strand (participates in β ladder)trans-128.4105.9174.8-175.6-18.9000108.6S75 K76 N77 T78 Y80D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 3.13Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 3.25Å; D73-S75 PolarHBondContact OD1-OG 3.08Å; D73-K76 HydrophobicContact CB-CB 4.21Å; D73-K76 CarbonylContact O-C 3.58Å; D73-K76 PolarHBondContact O-N 3.48Å; D73-K76 PolarHBondContact OD1-N 2.93Å; D73-K76 WeakPolarHBondContact OD2-CD 3.4Å; D73-K76 WeakPolarHBondContact OD2-CE 3.25Å; D73-K76 WeakPolarHBondContact OD2-CG 3.47Å; D73-K76 IonicContact OD2-NZ 3.66Å; D73-N77 PolarHBondContact O-N 3.32Å; D73-T78 PolarHBondContact N-O 2.79Å; D73-T78 PolarHBondContact O-N 2.9Å; D73-Y80 HydrophobicContact CB-CE2 4.01Å
74N94.4Very high97.5Very high60 Ų6044.9 Ų44.932%0.32125%0.252SS..THydrogen-bonded Turntrans-70.3-29.2-178.4-68.2-11.7000112.5F29 R72 K76 N77F29-N74 WeakPolarHBondContact CD1-OD1 3.25Å; R72-N74 PolarHBondContact NE-OD1 2.9Å; R72-N74 PolarHBondContact NH1-ND2 3.01Å; R72-N74 PolarHBondContact NH1-OD1 3.29Å; R72-N74 PolarHBondContact NH2-OD1 3.41Å; N74-K76 PolarHBondContact O-N 2.94Å; N74-N77 PolarHBondContact O-N 3.39Å; N74-N77 PolarHBondContact O-OD1 2.84Å
75S93.8Very high97.5Very high103 Ų10348 Ų4872%0.7227%0.274SS*.THydrogen-bonded Turntrans-67.4-27176.974.40000111.7D73D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 3.13Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 3.25Å; D73-S75 PolarHBondContact OD1-OG 3.08Å
76K95.2Very high97.6Very high129 Ų12941.6 Ų41.656%0.56125%0.246SC*.THydrogen-bonded Turntrans-103.61178.4-61.1-177.2-169.2169.10113.6D73 N74 T78D73-K76 HydrophobicContact CB-CB 4.21Å; D73-K76 CarbonylContact O-C 3.58Å; D73-K76 PolarHBondContact O-N 3.48Å; D73-K76 PolarHBondContact OD1-N 2.93Å; D73-K76 WeakPolarHBondContact OD2-CD 3.4Å; D73-K76 WeakPolarHBondContact OD2-CE 3.25Å; D73-K76 WeakPolarHBondContact OD2-CG 3.47Å; D73-K76 IonicContact OD2-NZ 3.66Å; N74-K76 PolarHBondContact O-N 2.94Å; K76-T78 PolarHBondContact O-N 2.93Å; K76-T78 VanDerWaalsContact O-N 3.16Å; K76-T78 PolarHBondContact O-OG1 3Å
77N95.8Very high97.6Very high61 Ų6143.8 Ų43.833%0.32623%0.229SC..THydrogen-bonded Turntrans46.442.7-171.3-58.8-46.4000112.3A24 F29 D73 N74A24-N77 HydrophobicContact CB-CB 4.3Å; A24-N77 WeakPolarHBondContact CB-O 3.46Å; A24-N77 PolarHBondContact N-O 3.02Å; A24-N77 WeakPolarHBondContact O-CB 3.3Å; F29-N77 HydrophobicContact CB-CB 3.83Å; F29-N77 WeakPolarHBondContact CB-OD1 3.34Å; F29-N77 HydrophobicContact CG-CB 4.23Å; D73-N77 PolarHBondContact O-N 3.32Å; N74-N77 PolarHBondContact O-N 3.39Å; N74-N77 PolarHBondContact O-OD1 2.84Å
78T97.5Very high97.6Very high15 Ų1545.3 Ų45.39%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-125.8130.4-171.4-560000111.7C22 R72 D73 K76 Y80C22-T78 WeakPolarHBondContact O-CA 3.29Å; R72-T78 CarbonylContact C-O 3.54Å; R72-T78 WeakPolarHBondContact CA-O 3.35Å; D73-T78 PolarHBondContact N-O 2.79Å; D73-T78 PolarHBondContact O-N 2.9Å; K76-T78 PolarHBondContact O-N 2.93Å; K76-T78 VanDerWaalsContact O-N 3.16Å; K76-T78 PolarHBondContact O-OG1 3Å; T78-Y80 HydrophobicContact CG2-CD1 4.13Å; T78-Y80 HydrophobicContact CG2-CD2 4.41Å; T78-Y80 HydrophobicContact CG2-CE1 3.5Å; T78-Y80 VanDerWaalsContact CG2-CE1 3.5Å; T78-Y80 HydrophobicContact CG2-CE2 3.83Å; T78-Y80 WeakPolarHBondContact CG2-OH 2.95Å
79L98.4Very high97.5Very high0 Ų051.2 Ų51.20%027%0.274CS..EExtended strand (participates in β ladder)trans-93.7145169.1-173.270000109.9S21 C22 F29 M34 W36 I51 I70 R72 C96S21-L79 CarbonylContact C-O 3.56Å; S21-L79 VanDerWaalsContact CA-O 3.24Å; S21-L79 WeakPolarHBondContact CA-O 3.48Å; C22-L79 HydrophobicContact CB-CB 4.19Å; C22-L79 PolarHBondContact N-O 3.06Å; C22-L79 PolarHBondContact O-N 2.77Å; F29-L79 HydrophobicContact CE2-CB 4.3Å; F29-L79 HydrophobicContact CZ-CB 4Å; M34-L79 HydrophobicContact CB-CD1 3.79Å; M34-L79 HydrophobicContact CB-CD2 3.89Å; M34-L79 HydrophobicContact CB-CG 4.38Å; M34-L79 HydrophobicContact CE-CD2 4.47Å; W36-L79 HydrophobicContact CG-CD2 4.4Å; W36-L79 VanDerWaalsContact NE1-CD2 3.29Å; I51-L79 HydrophobicContact CG2-CD1 3.45Å; I51-L79 VanDerWaalsContact CG2-CD1 3.45Å; I70-L79 HydrophobicContact CD1-CD1 4.02Å; I70-L79 HydrophobicContact CG1-CD1 3.99Å; R72-L79 HydrophobicContact CB-CD1 4.16Å; L79-C96 HydrophobicContact CD2-CB 4.1Å
80Y98.7Very high97.5Very high35 Ų3548.2 Ų48.214%0.13726%0.256CS..EExtended strand (participates in β ladder)trans-131.1147.7177.1-58-78.1000111.6R19 L20 I70 S71 D73 T78R19-Y80 VanDerWaalsContact NH2-CD1 3.27Å; R19-Y80 VanDerWaalsContact NH2-CD2 3.33Å; L20-Y80 VanDerWaalsContact O-CA 3.3Å; L20-Y80 WeakPolarHBondContact O-CA 3.45Å; I70-Y80 WeakPolarHBondContact CA-O 3.47Å; I70-Y80 WeakPolarHBondContact CG1-O 3.4Å; S71-Y80 PolarHBondContact N-O 2.68Å; S71-Y80 PolarHBondContact O-N 2.98Å; D73-Y80 HydrophobicContact CB-CE2 4.01Å; T78-Y80 HydrophobicContact CG2-CD1 4.13Å; T78-Y80 HydrophobicContact CG2-CD2 4.41Å; T78-Y80 HydrophobicContact CG2-CE1 3.5Å; T78-Y80 VanDerWaalsContact CG2-CE1 3.5Å; T78-Y80 HydrophobicContact CG2-CE2 3.83Å; T78-Y80 WeakPolarHBondContact CG2-OH 2.95Å
81L98.9Very high97.5Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-127.6106.1167.4-169.566.8000108.6R19 L20 W36 V48 A49 F68 I70 M83 Y94R19-L81 WeakPolarHBondContact CA-O 3.03Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 PolarHBondContact N-O 3.04Å; L20-L81 PolarHBondContact O-N 2.93Å; W36-L81 HydrophobicContact CB-CD2 4.18Å; W36-L81 HydrophobicContact CD2-CB 4.25Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CG-CB 4.2Å; W36-L81 HydrophobicContact CG-CD2 3.95Å; W36-L81 HydrophobicContact CG-CG 4.47Å; W36-L81 HydrophobicContact CZ2-CB 4.46Å; V48-L81 HydrophobicContact CG1-CD2 4.31Å; A49-L81 HydrophobicContact CB-CD1 4.24Å; F68-L81 HydrophobicContact CB-CD1 4.23Å; F68-L81 HydrophobicContact CD2-CD2 4.07Å; F68-L81 HydrophobicContact CD2-CG 4.4Å; I70-L81 HydrophobicContact CB-CD1 4.17Å; L81-M83 HydrophobicContact CD2-CG 3.92Å; L81-M83 HydrophobicContact CD2-SD 4Å; L81-M83 HydrophobicContact CG-CG 3.85Å; L81-M83 HydrophobicContact CG-SD 4.44Å; L81-Y94 HydrophobicContact CD2-CD1 4.29Å; L81-Y94 HydrophobicContact CD2-CE1 4.35Å
82Q98.8Very high97.5Very high57 Ų5747.8 Ų47.827%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-79.1119.3169.1-179.362.737.400107.9L18 F68 T69 N84L18-Q82 PolarHBondContact O-NE2 3.21Å; F68-Q82 CarbonylContact C-O 3.59Å; F68-Q82 VanDerWaalsContact CA-O 3.25Å; F68-Q82 WeakPolarHBondContact CA-O 3.47Å; T69-Q82 PolarHBondContact N-O 2.87Å; T69-Q82 PolarHBondContact O-N 2.84Å; Q82-N84 PolarHBondContact NE2-OD1 3.05Å
83M98.7Very high97.5Very high0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-112.5104.8-176.7-63.8165.963.500108.4S17 L18 L20 F68 L81 L86 Y94 V114S17-M83 CarbonylContact C-O 3.41Å; S17-M83 WeakPolarHBondContact CA-O 3.38Å; S17-M83 VanDerWaalsContact CB-O 3.3Å; S17-M83 WeakPolarHBondContact CB-O 3.3Å; L18-M83 PolarHBondContact N-O 3.09Å; L18-M83 PolarHBondContact O-N 2.99Å; L20-M83 HydrophobicContact CD1-SD 3.59Å; L20-M83 VanDerWaalsContact CD1-SD 3.59Å; L20-M83 HydrophobicContact CD2-SD 4.41Å; L20-M83 HydrophobicContact CG-SD 3.63Å; F68-M83 HydrophobicContact CD1-CB 3.92Å; F68-M83 HydrophobicContact CD1-CG 4.11Å; F68-M83 HydrophobicContact CD2-CG 3.92Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CG 4.06Å; F68-M83 HydrophobicContact CE2-CB 4.45Å; F68-M83 HydrophobicContact CE2-CE 3.86Å; F68-M83 HydrophobicContact CE2-CG 3.85Å; F68-M83 HydrophobicContact CE2-SD 4.41Å; F68-M83 HydrophobicContact CG-CB 4.38Å; F68-M83 HydrophobicContact CG-CG 4.07Å; F68-M83 HydrophobicContact CZ-CB 4.06Å; F68-M83 HydrophobicContact CZ-CE 3.71Å; F68-M83 HydrophobicContact CZ-CG 3.95Å; L81-M83 HydrophobicContact CD2-CG 3.92Å; L81-M83 HydrophobicContact CD2-SD 4Å; L81-M83 HydrophobicContact CG-CG 3.85Å; L81-M83 HydrophobicContact CG-SD 4.44Å; M83-L86 HydrophobicContact CB-CD1 4.28Å; M83-L86 HydrophobicContact CB-CD2 4.08Å; M83-L86 HydrophobicContact CB-CG 4.26Å; M83-L86 HydrophobicContact CE-CD2 3.52Å; M83-Y94 HydrophobicContact CE-CE1 3.9Å; M83-Y94 HydrophobicContact CE-CE2 3.89Å; M83-Y94 HydrophobicContact SD-CE1 4.41Å; M83-V114 HydrophobicContact CE-CG1 4.11Å; M83-V114 HydrophobicContact CE-CG2 4.26Å
84N98.6Very high97.6Very high53 Ų5346.1 Ų46.128%0.28325%0.247SC..  trans-102156.6178.4-56.4-50.7000111.6S17 R67 Q82 L86S17-N84 WeakPolarHBondContact CB-OD1 3.41Å; S17-N84 WeakPolarHBondContact OG-CA 3.35Å; S17-N84 PolarHBondContact OG-OD1 2.97Å; R67-N84 WeakPolarHBondContact CB-O 2.98Å; R67-N84 VanDerWaalsContact O-CB 3.31Å; R67-N84 WeakPolarHBondContact O-CB 3.24Å; R67-N84 PolarHBondContact O-N 3.07Å; R67-N84 PolarHBondContact O-ND2 3.49Å; Q82-N84 PolarHBondContact NE2-OD1 3.05Å; N84-L86 VanDerWaalsContact C-N 3.33Å; N84-L86 PolarHBondContact O-N 2.95Å
85S97.9Very high97.8Very high67 Ų6745.2 Ų45.247%0.46924%0.239SC..SBendtrans50.553.6174.9-54.70000111.9R16 R67R16-S85 PolarHBondContact O-N 3.3Å; R67-S85 PolarHBondContact NH1-O 3.21Å
86L98.4Very high98Very high2 Ų240.3 Ų40.31%0.0121%0.205CC..  trans-63.9142-176.1-82.1165.8000112.1V12 P14 G15 R16 L18 F68 M83 N84 D90 V116V12-L86 HydrophobicContact CG1-CB 4.47Å; V12-L86 HydrophobicContact CG1-CD1 3.64Å; P14-L86 WeakPolarHBondContact CA-O 3.42Å; G15-L86 PolarHBondContact N-O 2.89Å; R16-L86 WeakPolarHBondContact O-CB 3.3Å; R16-L86 PolarHBondContact O-N 3.27Å; L18-L86 HydrophobicContact CB-CD1 4.07Å; L18-L86 HydrophobicContact CD1-CD1 4.17Å; L18-L86 HydrophobicContact CG-CD1 4.16Å; F68-L86 HydrophobicContact CE1-CD2 3.92Å; F68-L86 HydrophobicContact CZ-CD2 3.79Å; M83-L86 HydrophobicContact CB-CD1 4.28Å; M83-L86 HydrophobicContact CB-CD2 4.08Å; M83-L86 HydrophobicContact CB-CG 4.26Å; M83-L86 HydrophobicContact CE-CD2 3.52Å; N84-L86 VanDerWaalsContact C-N 3.33Å; N84-L86 PolarHBondContact O-N 2.95Å; L86-D90 HydrophobicContact CD2-CB 3.57Å; L86-V116 HydrophobicContact CB-CG1 4.34Å; L86-V116 HydrophobicContact CB-CG2 3.96Å; L86-V116 HydrophobicContact CD2-CG2 4.28Å; L86-V116 HydrophobicContact CG-CG2 4.49Å
87R97.9Very high98Very high128 Ų12834.2 Ų34.248%0.48318%0.178SC..  trans-117.3162.7179.5-56.7177.7-179.5170.5-1.1110.3E89 D90 V116R87-E89 WeakPolarHBondContact CB-OE2 3.43Å; R87-E89 WeakPolarHBondContact CD-OE2 3.47Å; R87-E89 PolarHBondContact O-N 3.29Å; R87-D90 PolarHBondContact N-OD2 3.09Å; R87-D90 WeakPolarHBondContact O-CB 2.92Å; R87-D90 PolarHBondContact O-N 3.12Å; R87-V116 VanDerWaalsContact O-CB 3.3Å; R87-V116 WeakPolarHBondContact O-CB 3.47Å; R87-V116 WeakPolarHBondContact O-CG1 3.42Å; R87-V116 WeakPolarHBondContact O-CG2 3.45Å
88A97.3Very high97.8Very high56 Ų5631.6 Ų31.646%0.46316%0.164SC..G310 helixtrans-56-38.2178.300000111.4D90 T91A88-D90 PolarHBondContact O-N 2.82Å; A88-T91 VanDerWaalsContact O-CB 3.29Å; A88-T91 WeakPolarHBondContact O-CB 3.41Å; A88-T91 PolarHBondContact O-N 2.85Å; A88-T91 PolarHBondContact O-OG1 3.24Å
89E96.9Very high97.4Very high127 Ų12732.3 Ų32.359%0.59317%0.167SC*.G310 helixtrans-63-17176.7-46.181.4-112.800114.5R87 T91R87-E89 WeakPolarHBondContact CB-OE2 3.43Å; R87-E89 WeakPolarHBondContact CD-OE2 3.47Å; R87-E89 PolarHBondContact O-N 3.29Å; E89-T91 PolarHBondContact O-N 3Å
90D98.3Very high96.2Very high2 Ų234.5 Ų34.51%0.01118%0.179CC..G310 helixtrans-82.92.1175.2-58.9-50.7000112.5R38 R67 F68 L86 R87 A88 A92 Y94 V116R38-D90 IonicContact NH1-OD1 2.68Å; R38-D90 PolarHBondContact NH1-OD1 2.81Å; R67-D90 IonicContact CZ-OD1 3.58Å; R67-D90 IonicContact CZ-OD2 3.88Å; R67-D90 IonicContact NH1-OD1 3.63Å; R67-D90 IonicContact NH1-OD2 3.81Å; R67-D90 PolarHBondContact NH1-OD2 3.32Å; R67-D90 IonicContact NH2-OD1 3.58Å; R67-D90 PolarHBondContact NH2-OD1 3Å; R67-D90 IonicContact NH2-OD2 2.98Å; R67-D90 PolarHBondContact NH2-OD2 3.16Å; F68-D90 HydrophobicContact CZ-CB 4.26Å; L86-D90 HydrophobicContact CD2-CB 3.57Å; R87-D90 PolarHBondContact N-OD2 3.09Å; R87-D90 WeakPolarHBondContact O-CB 2.92Å; R87-D90 PolarHBondContact O-N 3.12Å; A88-D90 PolarHBondContact O-N 2.82Å; D90-A92 PolarHBondContact O-N 3.07Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 2.66Å; D90-V116 HydrophobicContact CB-CG2 4.45Å
91T98.6Very high94.7Very high31 Ų3138.6 Ų38.619%0.1920%0.203CC..  trans-68.8111.7173-63.30000110.5A88 E89 V114 T115 V116A88-T91 VanDerWaalsContact O-CB 3.29Å; A88-T91 WeakPolarHBondContact O-CB 3.41Å; A88-T91 PolarHBondContact O-N 2.85Å; A88-T91 PolarHBondContact O-OG1 3.24Å; E89-T91 PolarHBondContact O-N 3Å; T91-V114 WeakPolarHBondContact CA-O 3.33Å; T91-T115 HydrophobicContact CG2-CG2 4.38Å; T91-V116 PolarHBondContact OG1-N 3.32Å
92A98.6Very high93Very high1 Ų147.1 Ų47.11%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-163.9166.6-177.700000111.2R38 Q39 A40 D90 Y94 V114R38-A92 HydrophobicContact CB-CB 3.84Å; R38-A92 HydrophobicContact CG-CB 4.2Å; Q39-A92 WeakPolarHBondContact O-CA 3.3Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; A40-A92 HydrophobicContact CB-CB 4.37Å; D90-A92 PolarHBondContact O-N 3.07Å; A92-Y94 HydrophobicContact CB-CD2 4.21Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.31Å; A92-V114 PolarHBondContact N-O 3.05Å; A92-V114 VanDerWaalsContact N-O 3.12Å; A92-V114 PolarHBondContact O-N 3.04Å
93V98.8Very high91.3Very high41 Ų4152.1 Ų52.125%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-82.4127.3159.2-174.30000108R38 Q39 Y95 L113R38-V93 CarbonylContact C-O 3.54Å; R38-V93 WeakPolarHBondContact CA-O 3.49Å; Q39-V93 PolarHBondContact N-O 3.28Å; Q39-V93 PolarHBondContact O-N 3.29Å; V93-Y95 HydrophobicContact CB-CE2 3.93Å; V93-Y95 HydrophobicContact CG1-CD1 4.42Å; V93-Y95 HydrophobicContact CG1-CD2 4.44Å; V93-Y95 HydrophobicContact CG1-CE1 3.71Å; V93-Y95 HydrophobicContact CG1-CE2 3.76Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.42Å; V93-L113 HydrophobicContact CG2-CD1 4.11Å
94Y98.7Very high89.9Confident0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-106.1127.3-179.8-76.6-101.3000110.1L20 V37 R38 V48 F68 L81 M83 D90 A92 G111 T112 V114L20-Y94 HydrophobicContact CD1-CD1 3.95Å; L20-Y94 HydrophobicContact CD1-CD2 4.29Å; L20-Y94 HydrophobicContact CD1-CG 3.67Å; V37-Y94 CarbonylContact O-C 3.52Å; V37-Y94 WeakPolarHBondContact O-CA 3.37Å; R38-Y94 HydrophobicContact CB-CD1 3.87Å; R38-Y94 HydrophobicContact CB-CD2 4.42Å; R38-Y94 HydrophobicContact CB-CE1 3.81Å; R38-Y94 HydrophobicContact CB-CE2 4.35Å; R38-Y94 HydrophobicContact CB-CG 4.19Å; R38-Y94 HydrophobicContact CG-CE1 4.5Å; R38-Y94 PolarHBondContact NH1-OH 2.7Å; V48-Y94 HydrophobicContact CG2-CE1 4.3Å; F68-Y94 HydrophobicContact CE2-CE1 4.32Å; L81-Y94 HydrophobicContact CD2-CD1 4.29Å; L81-Y94 HydrophobicContact CD2-CE1 4.35Å; M83-Y94 HydrophobicContact CE-CE1 3.9Å; M83-Y94 HydrophobicContact CE-CE2 3.89Å; M83-Y94 HydrophobicContact SD-CE1 4.41Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 2.66Å; A92-Y94 HydrophobicContact CB-CD2 4.21Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.31Å; Y94-G111 CarbonylContact O-C 3.46Å; Y94-G111 WeakPolarHBondContact O-CA 3.2Å; Y94-T112 PolarHBondContact N-O 2.85Å; Y94-T112 PolarHBondContact O-N 2.58Å; Y94-V114 HydrophobicContact CD2-CB 3.93Å; Y94-V114 HydrophobicContact CD2-CG2 3.74Å; Y94-V114 HydrophobicContact CE2-CB 3.84Å; Y94-V114 HydrophobicContact CE2-CG1 4.5Å; Y94-V114 HydrophobicContact CE2-CG2 4.02Å
95Y98.4Very high88.8Confident42 Ų4255.2 Ų55.217%0.16529%0.286CS..EExtended strand (participates in β ladder)trans-116.1139.3-179.2-51.5-89.2000109.9E6 W36 V37 Q39 L45 V93 W108 Q110E6-Y95 VanDerWaalsContact OE1-CA 3.29Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.37Å; W36-Y95 WeakPolarHBondContact CA-O 3.27Å; W36-Y95 VanDerWaalsContact CE3-C 3.49Å; W36-Y95 VanDerWaalsContact CE3-O 3.27Å; V37-Y95 PolarHBondContact N-O 3.01Å; V37-Y95 PolarHBondContact O-N 3.04Å; Q39-Y95 HydrophobicContact CB-CE2 3.92Å; L45-Y95 HydrophobicContact CD2-CD2 4.16Å; L45-Y95 HydrophobicContact CD2-CE2 4.1Å; V93-Y95 HydrophobicContact CB-CE2 3.93Å; V93-Y95 HydrophobicContact CG1-CD1 4.42Å; V93-Y95 HydrophobicContact CG1-CD2 4.44Å; V93-Y95 HydrophobicContact CG1-CE1 3.71Å; V93-Y95 HydrophobicContact CG1-CE2 3.76Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.42Å; Y95-W108 HydrophobicContact CG-CE3 4.44Å; Y95-Q110 WeakPolarHBondContact CE1-O 3.41Å
96C96.9Very high87.9Confident0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-92.6142.5161.657.50000110.1L4 E6 C22 H35 W36 L79 G109L4-C96 WeakPolarHBondContact CD1-O 3.43Å; E6-C96 VanDerWaalsContact CD-SG 3.57Å; E6-C96 HydrophobicContact CG-CB 4.5Å; E6-C96 PolarHBondContact OE1-N 3.34Å; E6-C96 PolarHBondContact OE1-SG 3.5Å; E6-C96 VanDerWaalsContact OE1-SG 3.32Å; C22-C96 HydrophobicContact CB-CB 3.46Å; C22-C96 VanDerWaalsContact CB-CB 3.46Å; C22-C96 WeakPolarHBondContact CB-SG 3.43Å; C22-C96 WeakPolarHBondContact SG-CB 3.35Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.16Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.29Å; W36-C96 HydrophobicContact CD2-CB 4.45Å; W36-C96 HydrophobicContact CE3-CB 4.37Å; W36-C96 HydrophobicContact CH2-CB 4.29Å; W36-C96 HydrophobicContact CZ2-CB 4.37Å; W36-C96 HydrophobicContact CZ3-CB 4.28Å; L79-C96 HydrophobicContact CD2-CB 4.1Å; C96-G109 PolarHBondContact O-N 3.05Å
97A95.6Very high87.4Confident0 Ų059 Ų590%029%0.294CS..EExtended strand (participates in β ladder)trans-130.9141.7177.500000110.6M34 H35 F105 Y107 W108M34-A97 WeakPolarHBondContact CE-O 3.15Å; H35-A97 HydrophobicContact CB-CB 4.47Å; H35-A97 PolarHBondContact N-O 3.28Å; H35-A97 PolarHBondContact O-N 3.26Å; A97-F105 HydrophobicContact CB-CD1 4.07Å; A97-F105 HydrophobicContact CB-CG 4.29Å; A97-Y107 CarbonylContact C-O 3.48Å; A97-Y107 VanDerWaalsContact CA-O 3.3Å; A97-Y107 WeakPolarHBondContact CA-O 3.29Å; A97-W108 HydrophobicContact CB-CD2 3.85Å; A97-W108 HydrophobicContact CB-CE3 3.97Å; A97-W108 HydrophobicContact CB-CG 4.39Å; A97-W108 HydrophobicContact CB-CH2 4.31Å; A97-W108 HydrophobicContact CB-CZ2 4.19Å; A97-W108 HydrophobicContact CB-CZ3 4.21Å
98K93Very high87.2Confident6 Ų657.1 Ų57.13%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-90.5135.4170.5-163.1-167.881-176.30108.1L4 F27 Y32 M34 F105 D106 Y107L4-K98 HydrophobicContact CD1-CB 4.45Å; F27-K98 HydrophobicContact CD2-CD 3.74Å; F27-K98 HydrophobicContact CE1-CD 4.3Å; F27-K98 HydrophobicContact CE2-CD 3.45Å; F27-K98 VanDerWaalsContact CE2-CD 3.45Å; F27-K98 HydrophobicContact CE2-CG 3.99Å; F27-K98 HydrophobicContact CG-CD 4.27Å; F27-K98 HydrophobicContact CZ-CD 3.75Å; F27-K98 HydrophobicContact CZ-CG 4.16Å; Y32-K98 HydrophobicContact CD1-CD 3.89Å; Y32-K98 HydrophobicContact CD1-CG 4.19Å; Y32-K98 HydrophobicContact CD2-CD 3.87Å; Y32-K98 HydrophobicContact CD2-CG 4.49Å; Y32-K98 HydrophobicContact CE1-CD 4.36Å; Y32-K98 HydrophobicContact CE2-CD 4.32Å; Y32-K98 HydrophobicContact CG-CD 3.62Å; Y32-K98 HydrophobicContact CG-CG 3.86Å; M34-K98 HydrophobicContact CE-CB 4.32Å; M34-K98 HydrophobicContact SD-CB 4.15Å; M34-K98 HydrophobicContact SD-CG 3.89Å; K98-F105 WeakPolarHBondContact O-CA 3.37Å; K98-D106 WeakPolarHBondContact CE-OD1 3.5Å; K98-D106 WeakPolarHBondContact CE-OD2 3.38Å; K98-D106 IonicContact NZ-OD1 3.74Å; K98-D106 IonicContact NZ-OD2 3.09Å; K98-D106 PolarHBondContact NZ-OD2 3.35Å; K98-D106 PolarHBondContact O-N 3.09Å; K98-D106 VanDerWaalsContact O-OD1 3.08Å; K98-Y107 HydrophobicContact CD-CD2 4.34Å; K98-Y107 PolarHBondContact N-O 3.04Å; K98-Y107 VanDerWaalsContact NZ-CD2 3.26Å; K98-Y107 VanDerWaalsContact NZ-CE2 3.34Å
99D87.5Confident87.1Confident30 Ų3054.8 Ų54.816%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-104.8130.5171.7-171.65.7000110Y32 D33 H35 G104 F105Y32-D99 WeakPolarHBondContact CD1-O 3.32Å; D33-D99 HydrophobicContact CB-CB 4.3Å; D33-D99 PolarHBondContact O-N 2.59Å; H35-D99 WeakPolarHBondContact NE2-CB 3.36Å; H35-D99 IonicContact NE2-OD2 3.5Å; D99-G104 VanDerWaalsContact OD1-C 3.31Å; D99-G104 WeakPolarHBondContact OD1-CA 3.48Å; D99-F105 HydrophobicContact CB-CD1 4.04Å; D99-F105 HydrophobicContact CB-CE1 4.1Å
100N74.9Confident87Confident47 Ų4757 Ų5725%0.25128%0.279SS..EExtended strand (participates in β ladder)trans-100.9109.9169.2-170.17.4000107.3Q102 E103 G104 D106N100-Q102 PolarHBondContact O-N 3.28Å; N100-E103 PolarHBondContact O-N 2.97Å; N100-G104 PolarHBondContact N-O 3Å; N100-G104 VanDerWaalsContact N-O 3.07Å; N100-G104 PolarHBondContact O-N 3.49Å; N100-G104 VanDerWaalsContact O-N 3.12Å; N100-D106 HydrophobicContact CB-CB 4.4Å
101L66.5Low87Confident121 Ų12158 Ų5863%0.63429%0.289SS*.THydrogen-bonded Turntrans-45.6-8.7-172.9-66.7167.2000116.9
102Q63.7Low87Confident179 Ų17957.5 Ų57.584%0.83629%0.286SS*.THydrogen-bonded Turntrans-116.4-17.7179.1-62.8-179.219.100114.5N100N100-Q102 PolarHBondContact O-N 3.28Å
103E62.3Low87Confident162 Ų16262 Ų6276%0.75731%0.31SS*.THydrogen-bonded Turntrans-135.5-1.6-168.2-61.5-168167.900115.2N100N100-E103 PolarHBondContact O-N 2.97Å
104G68.4Low87Confident31 Ų3160.1 Ų60.132%0.3230%0.298SS..EExtended strand (participates in β ladder)trans85.4-158.4-179.200000113.6D99 N100 D106D99-G104 VanDerWaalsContact OD1-C 3.31Å; D99-G104 WeakPolarHBondContact OD1-CA 3.48Å; N100-G104 PolarHBondContact N-O 3Å; N100-G104 VanDerWaalsContact N-O 3.07Å; N100-G104 PolarHBondContact O-N 3.49Å; N100-G104 VanDerWaalsContact O-N 3.12Å; G104-D106 PolarHBondContact O-N 2.97Å; G104-D106 VanDerWaalsContact O-N 3.11Å
105F75.9Confident86.9Confident86 Ų8661.8 Ų61.838%0.37731%0.309SS..EExtended strand (participates in β ladder)trans-71.1105.2-177.1-58.9-47.1000112.4H35 A97 K98 D99 W108H35-F105 HydrophobicContact CB-CE1 4.07Å; H35-F105 HydrophobicContact CB-CZ 4.39Å; H35-F105 AromaticContact CD2-CE1 3.47Å; H35-F105 VanDerWaalsContact CD2-CE1 3.47Å; H35-F105 WeakPolarHBondContact CD2-CE1 3.5Å; H35-F105 AromaticContact CE1-CE1 3.51Å; H35-F105 AromaticContact CE1-CZ 3.8Å; H35-F105 AromaticContact CG-CE1 3.45Å; H35-F105 VanDerWaalsContact CG-CE1 3.45Å; H35-F105 AromaticContact CG-CZ 3.89Å; H35-F105 AromaticContact ND1-CE1 3.48Å; H35-F105 WeakPolarHBondContact ND1-CE1 3.22Å; H35-F105 AromaticContact ND1-CZ 3.56Å; H35-F105 AromaticContact NE2-CE1 3.55Å; A97-F105 HydrophobicContact CB-CD1 4.07Å; A97-F105 HydrophobicContact CB-CG 4.29Å; K98-F105 WeakPolarHBondContact O-CA 3.37Å; D99-F105 HydrophobicContact CB-CD1 4.04Å; D99-F105 HydrophobicContact CB-CE1 4.1Å; F105-W108 HydrophobicContact CB-CZ2 3.89Å; F105-W108 HydrophobicContact CD2-CH2 4.26Å; F105-W108 AromaticContact CD2-CZ2 3.57Å; F105-W108 HydrophobicContact CD2-CZ2 3.57Å; F105-W108 HydrophobicContact CE2-CZ2 4.37Å; F105-W108 AromaticContact CG-CZ2 3.91Å; F105-W108 HydrophobicContact CG-CZ2 3.91Å
106D78.9Confident86.9Confident53 Ų5360.2 Ų60.228%0.28330%0.303SS..EExtended strand (participates in β ladder)trans-96.8-25.6-174.963.1-19.5000113.4K98 N100 G104K98-D106 WeakPolarHBondContact CE-OD1 3.5Å; K98-D106 WeakPolarHBondContact CE-OD2 3.38Å; K98-D106 IonicContact NZ-OD1 3.74Å; K98-D106 IonicContact NZ-OD2 3.09Å; K98-D106 PolarHBondContact NZ-OD2 3.35Å; K98-D106 PolarHBondContact O-N 3.09Å; K98-D106 VanDerWaalsContact O-OD1 3.08Å; N100-D106 HydrophobicContact CB-CB 4.4Å; G104-D106 PolarHBondContact O-N 2.97Å; G104-D106 VanDerWaalsContact O-N 3.11Å
107Y88.3Confident86.9Confident95 Ų9562.7 Ų62.737%0.37332%0.32SS..EExtended strand (participates in β ladder)trans-136.6136.2176.4-63.8-82.7000113.2V2 L4 A97 K98V2-Y107 HydrophobicContact CB-CD1 3.58Å; V2-Y107 HydrophobicContact CB-CD2 4.36Å; V2-Y107 HydrophobicContact CB-CE1 3.54Å; V2-Y107 HydrophobicContact CB-CE2 4.34Å; V2-Y107 HydrophobicContact CB-CG 4Å; V2-Y107 HydrophobicContact CG1-CD1 3.68Å; V2-Y107 HydrophobicContact CG1-CD2 4.03Å; V2-Y107 HydrophobicContact CG1-CE1 4.12Å; V2-Y107 HydrophobicContact CG1-CE2 4.46Å; V2-Y107 HydrophobicContact CG1-CG 3.61Å; V2-Y107 HydrophobicContact CG2-CD1 4.34Å; V2-Y107 HydrophobicContact CG2-CD2 4.47Å; V2-Y107 HydrophobicContact CG2-CE1 3.92Å; V2-Y107 HydrophobicContact CG2-CE2 4.08Å; L4-Y107 WeakPolarHBondContact CD1-O 3.38Å; A97-Y107 CarbonylContact C-O 3.48Å; A97-Y107 VanDerWaalsContact CA-O 3.3Å; A97-Y107 WeakPolarHBondContact CA-O 3.29Å; K98-Y107 HydrophobicContact CD-CD2 4.34Å; K98-Y107 PolarHBondContact N-O 3.04Å; K98-Y107 VanDerWaalsContact NZ-CD2 3.26Å; K98-Y107 VanDerWaalsContact NZ-CE2 3.34Å
108W93.8Very high86.5Confident90 Ų9069.9 Ų69.934%0.34137%0.371SS..EExtended strand (participates in β ladder)trans-122.7144.5178.5-67.574.4000110.5V37 L45 Y95 A97 F105V37-W108 HydrophobicContact CB-CH2 4.01Å; V37-W108 HydrophobicContact CB-CZ3 3.68Å; V37-W108 HydrophobicContact CG1-CH2 3.92Å; V37-W108 HydrophobicContact CG1-CZ3 3.83Å; V37-W108 HydrophobicContact CG2-CH2 3.74Å; V37-W108 HydrophobicContact CG2-CZ3 3.82Å; L45-W108 HydrophobicContact CD1-CH2 4.17Å; L45-W108 HydrophobicContact CD1-CZ3 4.44Å; L45-W108 HydrophobicContact CD2-CZ3 4.43Å; Y95-W108 HydrophobicContact CG-CE3 4.44Å; A97-W108 HydrophobicContact CB-CD2 3.85Å; A97-W108 HydrophobicContact CB-CE3 3.97Å; A97-W108 HydrophobicContact CB-CG 4.39Å; A97-W108 HydrophobicContact CB-CH2 4.31Å; A97-W108 HydrophobicContact CB-CZ2 4.19Å; A97-W108 HydrophobicContact CB-CZ3 4.21Å; F105-W108 HydrophobicContact CB-CZ2 3.89Å; F105-W108 HydrophobicContact CD2-CH2 4.26Å; F105-W108 AromaticContact CD2-CZ2 3.57Å; F105-W108 HydrophobicContact CD2-CZ2 3.57Å; F105-W108 HydrophobicContact CE2-CZ2 4.37Å; F105-W108 AromaticContact CG-CZ2 3.91Å; F105-W108 HydrophobicContact CG-CZ2 3.91Å
109G95Very high86.2Confident6 Ų673.1 Ų73.16%0.06239%0.388CS..  trans-75.2174.6165.300000112L4 E6 C96 G111L4-G109 WeakPolarHBondContact O-CA 3.29Å; E6-G109 WeakPolarHBondContact OE1-CA 3.45Å; E6-G109 WeakPolarHBondContact OE2-CA 3.36Å; C96-G109 PolarHBondContact O-N 3.05Å; G109-G111 VanDerWaalsContact C-N 3.26Å
110Q95.1Very high86.1Confident175 Ų17575.3 Ų75.382%0.81840%0.4SS*.  trans-82-12.3-179-64.2-61.8-65.400112.1E6 Y95E6-Q110 PolarHBondContact OE2-N 2.84Å; Y95-Q110 WeakPolarHBondContact CE1-O 3.41Å
111G97.4Very high86.7Confident22 Ų2276.9 Ų76.923%0.22741%0.408CS..  trans88.7157.5177.700000113.5E6 Y94 G109E6-G111 VanDerWaalsContact CD-N 3.32Å; E6-G111 PolarHBondContact OE1-N 2.6Å; E6-G111 PolarHBondContact OE2-N 2.84Å; Y94-G111 CarbonylContact O-C 3.46Å; Y94-G111 WeakPolarHBondContact O-CA 3.2Å; G109-G111 VanDerWaalsContact C-N 3.26Å
112T98.5Very high87.9Confident21 Ų2174.3 Ų74.313%0.12940%0.395CS..EExtended strand (participates in β ladder)trans-129.2135.6173.6-174.30000109.9E6 G9 L20 Y94E6-T112 HydrophobicContact CB-CG2 3.83Å; G9-T112 WeakPolarHBondContact CA-OG1 3.32Å; G9-T112 PolarHBondContact N-OG1 2.94Å; L20-T112 HydrophobicContact CD1-CG2 4.08Å; L20-T112 HydrophobicContact CD2-CG2 3.91Å; L20-T112 HydrophobicContact CG-CG2 4.49Å; Y94-T112 PolarHBondContact N-O 2.85Å; Y94-T112 PolarHBondContact O-N 2.58Å
113L98.6Very high89.4Confident96 Ų9667.8 Ų67.850%0.50337%0.367SS..EExtended strand (participates in β ladder)trans-77.7131.3178.2-178.762.9000110.4G9 G10 V93G9-L113 CarbonylContact C-O 3.58Å; G9-L113 VanDerWaalsContact CA-O 3.25Å; G9-L113 WeakPolarHBondContact CA-O 3.43Å; G10-L113 PolarHBondContact N-O 2.92Å; V93-L113 HydrophobicContact CG2-CD1 4.11Å
114V98.6Very high91.2Very high0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-115.2129.3164.6175.60000107.7L18 L20 M83 T91 A92 Y94 V116L18-V114 HydrophobicContact CD1-CG1 4.11Å; L20-V114 HydrophobicContact CD1-CG2 4.21Å; L20-V114 HydrophobicContact CD2-CG2 3.85Å; M83-V114 HydrophobicContact CE-CG1 4.11Å; M83-V114 HydrophobicContact CE-CG2 4.26Å; T91-V114 WeakPolarHBondContact CA-O 3.33Å; A92-V114 PolarHBondContact N-O 3.05Å; A92-V114 VanDerWaalsContact N-O 3.12Å; A92-V114 PolarHBondContact O-N 3.04Å; Y94-V114 HydrophobicContact CD2-CB 3.93Å; Y94-V114 HydrophobicContact CD2-CG2 3.74Å; Y94-V114 HydrophobicContact CE2-CB 3.84Å; Y94-V114 HydrophobicContact CE2-CG1 4.5Å; Y94-V114 HydrophobicContact CE2-CG2 4.02Å; V114-V116 HydrophobicContact CG1-CG2 4.3Å
115T98.4Very high92.8Very high36 Ų3663.6 Ų63.622%0.22134%0.343CS..EExtended strand (participates in β ladder)trans-123.6125.5176.9-55.40000109.4G10 V11 V12 T91G10-T115 PolarHBondContact O-N 3Å; V11-T115 CarbonylContact C-O 3.49Å; V11-T115 VanDerWaalsContact CA-O 3.32Å; V11-T115 WeakPolarHBondContact CA-O 3.42Å; V12-T115 PolarHBondContact N-O 2.91Å; T91-T115 HydrophobicContact CG2-CG2 4.38Å
116V97.9Very high94.1Very high8 Ų861.9 Ų61.95%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-110.2102.3177.6-172.40000108.7V12 P14 L86 R87 D90 T91 V114V12-V116 HydrophobicContact CG1-CG2 4.14Å; V12-V116 CarbonylContact O-C 3.53Å; V12-V116 VanDerWaalsContact O-CA 3.26Å; V12-V116 WeakPolarHBondContact O-CA 3.36Å; P14-V116 HydrophobicContact CB-CG1 4.31Å; P14-V116 HydrophobicContact CG-CG1 4.04Å; L86-V116 HydrophobicContact CB-CG1 4.34Å; L86-V116 HydrophobicContact CB-CG2 3.96Å; L86-V116 HydrophobicContact CD2-CG2 4.28Å; L86-V116 HydrophobicContact CG-CG2 4.49Å; R87-V116 VanDerWaalsContact O-CB 3.3Å; R87-V116 WeakPolarHBondContact O-CB 3.47Å; R87-V116 WeakPolarHBondContact O-CG1 3.42Å; R87-V116 WeakPolarHBondContact O-CG2 3.45Å; D90-V116 HydrophobicContact CB-CG2 4.45Å; T91-V116 PolarHBondContact OG1-N 3.32Å; V114-V116 HydrophobicContact CG1-CG2 4.3Å
117S95.5Very high95.4Very high52 Ų5262.7 Ų62.736%0.36435%0.345SS..  trans-144.4148.8-175.359.50000111.3V11 V12 Q13V11-S117 WeakPolarHBondContact CG1-OG 3.39Å; V12-S117 PolarHBondContact O-N 2.74Å; Q13-S117 WeakPolarHBondContact CA-O 3.34Å
118S87.8Confident96.1Very high151 Ų15159.7 Ų59.7100%1.05634%0.343SS*.  trans-74.10176.358.30000112.8

Retrieved 118 of 118 residues in 165 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).