A0A087WPN7_MOUSE Loading...

Immunoglobulin heavy variable 13-2

AlphaFold DB , UniProt , Accession A0A087WPN7, Species MOUSE (Mus musculus, Mouse), Gene Ighv13-2, Length 100 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
1Q87.9Confident95.5Very high201 Ų20187.5 Ų87.594%0.93953%0.527SS*.  0141.80-173.9174.613.900108.3G26Q1-G26 WeakPolarHBondContact O-CA 3.39Å
2V93.3Very high95.4Very high65 Ų6584.7 Ų84.739%0.39451%0.51SS..  trans-86.8135.4178.6172.50000109.2L4 S25 F27V2-L4 HydrophobicContact CG1-CD1 3.88Å; V2-S25 WeakPolarHBondContact CA-O 3.5Å; V2-F27 HydrophobicContact CG1-CD1 3.9Å; V2-F27 HydrophobicContact CG1-CE1 4.1Å
3Q97Very high95.2Very high97 Ų9793.2 Ų93.245%0.45353%0.528SS..EExtended strand (participates in β ladder)trans-136.9145.1175.7-59.1179.3-34.100111.3T24 S25Q3-T24 CarbonylContact O-C 3.59Å; Q3-T24 VanDerWaalsContact O-CA 3.32Å; Q3-T24 WeakPolarHBondContact O-CA 3.28Å; Q3-S25 PolarHBondContact N-O 2.86Å; Q3-S25 PolarHBondContact O-N 2.93Å; Q3-S25 PolarHBondContact OE1-OG 3.24Å
4L97.9Very high95.1Very high49 Ų4993.9 Ų93.926%0.25754%0.538SS..EExtended strand (participates in β ladder)trans-133.1126.3172-72.285.1000105.6V2 T24 F27 M34 C98V2-L4 HydrophobicContact CG1-CD1 3.88Å; L4-T24 HydrophobicContact CD2-CG2 4.43Å; L4-T24 HydrophobicContact CG-CG2 4.02Å; L4-F27 HydrophobicContact CD1-CE1 4.38Å; L4-M34 HydrophobicContact CD2-CE 4.1Å; L4-C98 HydrophobicContact CD2-CB 4.42Å; L4-C98 WeakPolarHBondContact CD2-O 3.27Å
5V97.9Very high95.1Very high76 Ų7690.9 Ų90.946%0.46154%0.536SS..EExtended strand (participates in β ladder)trans-129.8105.3-172.5-176.60000109.8T7 C22 V23V5-T7 HydrophobicContact CG1-CG2 4.4Å; V5-C22 WeakPolarHBondContact O-CA 3.42Å; V5-V23 PolarHBondContact N-O 2.79Å; V5-V23 PolarHBondContact O-N 3.35Å
6E98.4Very high95.2Very high69 Ų6990.7 Ų90.732%0.32253%0.532SS..EExtended strand (participates in β ladder)trans-81.4136.5177.7-58.286.2165.800112.3S21 C22 W36 F97 C98E6-S21 CarbonylContact C-O 3.6Å; E6-S21 VanDerWaalsContact CA-O 3.29Å; E6-S21 WeakPolarHBondContact CA-O 3.36Å; E6-C22 HydrophobicContact CG-CB 4.33Å; E6-W36 HydrophobicContact CB-CH2 4.49Å; E6-W36 HydrophobicContact CG-CH2 4.03Å; E6-W36 HydrophobicContact CG-CZ3 3.9Å; E6-F97 WeakPolarHBondContact OE1-CA 3.42Å; E6-C98 VanDerWaalsContact CD-SG 3.58Å; E6-C98 HydrophobicContact CG-CB 4.41Å; E6-C98 PolarHBondContact OE1-N 3.03Å; E6-C98 PolarHBondContact OE1-SG 2.95Å
7T97.9Very high95.3Very high70 Ų7089.2 Ų89.243%0.42953%0.527SS..EExtended strand (participates in β ladder)trans-145.7171.5177.660.90000111V5 L20 S21V5-T7 HydrophobicContact CG1-CG2 4.4Å; T7-L20 WeakPolarHBondContact O-CA 3.36Å; T7-S21 PolarHBondContact N-O 3.01Å; T7-S21 PolarHBondContact O-N 3.43Å; T7-S21 PolarHBondContact OG1-OG 3.41Å
8G96.5Very high95.4Very high40 Ų4086.4 Ų86.441%0.41251%0.51SS..  trans873.8-179.900000114.5L18 L20G8-L18 WeakPolarHBondContact O-CD1 3.09Å; G8-L20 VanDerWaalsContact C-CD2 3.5Å; G8-L20 WeakPolarHBondContact O-CD2 3.42Å
9G95Very high95.5Very high60 Ų6087.2 Ų87.262%0.61951%0.506SS*.  trans-65.4157.7169.800000112.2
10G94.7Very high95.7Very high55 Ų5583.3 Ų83.357%0.56748%0.483SS*.  trans169.7170.1176.800000112.8
11L94.4Very high95.8Very high180 Ų18080.5 Ų80.594%0.94247%0.468SS*.  trans-75.1125.9173.6-175.967000109.7
12V94Very high96.3Very high54 Ų5471 Ų7133%0.32742%0.424SS..  trans-133.8151.9177-66.30000110.3L18 L88V12-L18 HydrophobicContact CG1-CB 4.5Å; V12-L18 HydrophobicContact CG1-CD1 3.8Å; V12-L88 HydrophobicContact CG2-CD1 3.56Å
13R93.2Very high96.6Very high196 Ų19671.3 Ų71.374%0.7443%0.426SS*.  trans-75.6147.6176-64.9-179.4-176-102.90.6110.2G15 N16R13-G15 PolarHBondContact O-N 3.48Å; R13-N16 WeakPolarHBondContact O-CB 3.45Å; R13-N16 PolarHBondContact O-N 3.5Å
14P92.9Very high96.6Very high102 Ų10267 Ų6766%0.66241%0.406SS*.THydrogen-bonded Turntrans-51.9141.1168.5-25.834.8000111.5N16 L88P14-N16 VanDerWaalsContact C-N 3.31Å; P14-N16 PolarHBondContact O-N 2.78Å; P14-L88 CarbonylContact C-O 3.55Å; P14-L88 WeakPolarHBondContact CA-O 3.37Å
15G95.4Very high96.6Very high50 Ų5067.1 Ų67.152%0.51541%0.411SS..THydrogen-bonded Turntrans89.6-23.7-175.900000114.8R13 L88R13-G15 PolarHBondContact O-N 3.48Å; G15-L88 PolarHBondContact N-O 3.19Å
16N96.9Very high96.6Very high87 Ų8766 Ų6647%0.46542%0.415SS..  trans-75174.3178.7-71.44.3000112R13 P14 R87 L88R13-N16 WeakPolarHBondContact O-CB 3.45Å; R13-N16 PolarHBondContact O-N 3.5Å; P14-N16 VanDerWaalsContact C-N 3.31Å; P14-N16 PolarHBondContact O-N 2.78Å; N16-R87 PolarHBondContact O-N 3.11Å; N16-L88 WeakPolarHBondContact O-CB 3.46Å; N16-L88 PolarHBondContact O-N 2.73Å
17S96.9Very high96.5Very high66 Ų6664.4 Ų64.446%0.46241%0.407SS..  trans-110.2155173-61.20000112.2M85 N86S17-M85 CarbonylContact C-O 3.57Å; S17-M85 WeakPolarHBondContact CA-O 3.32Å; S17-M85 WeakPolarHBondContact CB-O 3.24Å; S17-N86 WeakPolarHBondContact OG-CA 3.02Å; S17-N86 PolarHBondContact OG-OD1 3.06Å
18L97.2Very high96.4Very high39 Ų3965 Ų6520%0.20441%0.411CS..EExtended strand (participates in β ladder)trans-136.3152.5172.1-169.870.8000109.1G8 V12 L20 M85 L88G8-L18 WeakPolarHBondContact O-CD1 3.09Å; V12-L18 HydrophobicContact CG1-CB 4.5Å; V12-L18 HydrophobicContact CG1-CD1 3.8Å; L18-L20 HydrophobicContact CD2-CD2 3.72Å; L18-L20 HydrophobicContact CG-CD2 4.27Å; L18-M85 HydrophobicContact CD2-SD 4.44Å; L18-M85 PolarHBondContact N-O 2.9Å; L18-M85 WeakPolarHBondContact O-CB 3.41Å; L18-M85 PolarHBondContact O-N 2.79Å; L18-L88 HydrophobicContact CB-CD1 3.74Å
19K98.1Very high96.5Very high100 Ų10063.4 Ų63.444%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-123.1117.8171.4-177.3169.4-176.5150.50109.5L83 E84K19-L83 WeakPolarHBondContact CA-O 3.49Å; K19-E84 HydrophobicContact CD-CG 3.98Å; K19-E84 HydrophobicContact CG-CG 4.05Å; K19-E84 IonicContact NZ-OE1 3.13Å; K19-E84 PolarHBondContact NZ-OE1 2.92Å
20L98.6Very high96.6Very high10 Ų1063 Ų635%0.05238%0.38CS..EExtended strand (participates in β ladder)trans-91.3149.8170-52.9-177.8000109.8T7 G8 L18 W36 Y82 L83 M85 Y96T7-L20 WeakPolarHBondContact O-CA 3.36Å; G8-L20 VanDerWaalsContact C-CD2 3.5Å; G8-L20 WeakPolarHBondContact O-CD2 3.42Å; L18-L20 HydrophobicContact CD2-CD2 3.72Å; L18-L20 HydrophobicContact CG-CD2 4.27Å; L20-W36 HydrophobicContact CB-CH2 3.79Å; L20-W36 HydrophobicContact CB-CZ2 4.17Å; L20-W36 HydrophobicContact CB-CZ3 4.3Å; L20-W36 HydrophobicContact CD1-CH2 4.42Å; L20-W36 HydrophobicContact CD1-CZ3 4.1Å; L20-Y82 VanDerWaalsContact O-CA 3.27Å; L20-Y82 WeakPolarHBondContact O-CA 3.1Å; L20-L83 HydrophobicContact CB-CB 4.28Å; L20-L83 HydrophobicContact CD1-CD2 4.37Å; L20-L83 PolarHBondContact N-O 3.43Å; L20-L83 PolarHBondContact O-N 3.25Å; L20-M85 HydrophobicContact CD1-SD 3.65Å; L20-M85 HydrophobicContact CD2-SD 4.47Å; L20-M85 HydrophobicContact CG-SD 3.7Å; L20-Y96 VanDerWaalsContact CD1-CB 3.44Å; L20-Y96 HydrophobicContact CD1-CD1 3.78Å; L20-Y96 HydrophobicContact CD1-CD2 4.09Å; L20-Y96 HydrophobicContact CD1-CG 3.49Å; L20-Y96 VanDerWaalsContact CD1-CG 3.49Å
21S98.6Very high96.7Very high25 Ų2565.6 Ų65.618%0.17538%0.381CS..EExtended strand (participates in β ladder)trans-127.1149.3168.645.40000110.5E6 T7 V81E6-S21 CarbonylContact C-O 3.6Å; E6-S21 VanDerWaalsContact CA-O 3.29Å; E6-S21 WeakPolarHBondContact CA-O 3.36Å; T7-S21 PolarHBondContact N-O 3.01Å; T7-S21 PolarHBondContact O-N 3.43Å; T7-S21 PolarHBondContact OG1-OG 3.41Å; S21-V81 CarbonylContact C-O 3.46Å; S21-V81 WeakPolarHBondContact CA-O 3.18Å
22C98.7Very high96.9Very high0 Ų061.6 Ų61.60%035%0.354CS..EExtended strand (participates in β ladder)trans-131.2113.7170161.50000108.9V5 E6 W36 S80 V81 C98V5-C22 WeakPolarHBondContact O-CA 3.42Å; E6-C22 HydrophobicContact CG-CB 4.33Å; C22-W36 HydrophobicContact CB-CH2 3.8Å; C22-W36 HydrophobicContact CB-CZ2 3.72Å; C22-S80 VanDerWaalsContact O-CA 3.3Å; C22-S80 WeakPolarHBondContact O-CA 3.48Å; C22-V81 HydrophobicContact CB-CG1 3.63Å; C22-V81 PolarHBondContact N-O 2.8Å; C22-V81 PolarHBondContact O-N 3.21Å; C22-C98 HydrophobicContact CB-CB 3.4Å; C22-C98 VanDerWaalsContact CB-CB 3.4Å; C22-C98 WeakPolarHBondContact CB-SG 3.33Å; C22-C98 WeakPolarHBondContact SG-CB 3.46Å; C22-C98 CovalentContact SG-SG 2.01Å; C22-C98 PolarHBondContact SG-SG 2.81Å
23V98.3Very high97.1Very high73 Ų7365 Ų6544%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-93.2131.8176.6-176.60000108V5V5-V23 PolarHBondContact N-O 2.79Å; V5-V23 PolarHBondContact O-N 3.35Å
24T98Very high97.4Very high7 Ų755.6 Ų55.64%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-118.1149.3-175.171.70000111.8Q3 L4 F27 F29 M34 S79Q3-T24 CarbonylContact O-C 3.59Å; Q3-T24 VanDerWaalsContact O-CA 3.32Å; Q3-T24 WeakPolarHBondContact O-CA 3.28Å; L4-T24 HydrophobicContact CD2-CG2 4.43Å; L4-T24 HydrophobicContact CG-CG2 4.02Å; T24-F27 HydrophobicContact CG2-CE1 4.42Å; T24-F27 HydrophobicContact CG2-CZ 4.02Å; T24-F29 HydrophobicContact CG2-CD2 4.16Å; T24-F29 HydrophobicContact CG2-CE2 4.17Å; T24-F29 WeakPolarHBondContact OG1-CD2 3.26Å; T24-M34 HydrophobicContact CG2-CE 3.86Å; T24-S79 PolarHBondContact N-O 2.87Å; T24-S79 WeakPolarHBondContact O-CB 3.45Å; T24-S79 PolarHBondContact OG1-O 2.83Å
25S97.5Very high97.6Very high50 Ų5053.1 Ų53.135%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-149162.1176.976.10000111.8V2 Q3 F27V2-S25 WeakPolarHBondContact CA-O 3.5Å; Q3-S25 PolarHBondContact N-O 2.86Å; Q3-S25 PolarHBondContact O-N 2.93Å; Q3-S25 PolarHBondContact OE1-OG 3.24Å; S25-F27 WeakPolarHBondContact O-CD1 3.34Å
26G97.2Very high97.8Very high53 Ų5350.8 Ų50.855%0.54628%0.281SS..SBendtrans83.313.1177.900000115.5Q1Q1-G26 WeakPolarHBondContact O-CA 3.39Å
27F96.4Very high97.9Very high36 Ų3648.1 Ų48.116%0.15827%0.266CS..SBendtrans-156.5164.417163.6-82000111.7V2 L4 T24 S25 F29 Y32 R100V2-F27 HydrophobicContact CG1-CD1 3.9Å; V2-F27 HydrophobicContact CG1-CE1 4.1Å; L4-F27 HydrophobicContact CD1-CE1 4.38Å; T24-F27 HydrophobicContact CG2-CE1 4.42Å; T24-F27 HydrophobicContact CG2-CZ 4.02Å; S25-F27 WeakPolarHBondContact O-CD1 3.34Å; F27-F29 HydrophobicContact CE2-CB 4.35Å; F27-F29 HydrophobicContact CE2-CD2 4.25Å; F27-F29 HydrophobicContact CZ-CD2 4.39Å; F27-F29 PolarHBondContact O-N 2.95Å; F27-Y32 HydrophobicContact CB-CE2 4.43Å; F27-Y32 AromaticContact CD2-CD2 3.52Å; F27-Y32 HydrophobicContact CD2-CD2 3.52Å; F27-Y32 AromaticContact CD2-CE2 3.91Å; F27-Y32 HydrophobicContact CD2-CE2 3.91Å; F27-Y32 HydrophobicContact CD2-CG 4.31Å; F27-Y32 AromaticContact CE2-CD2 3.97Å; F27-Y32 HydrophobicContact CE2-CD2 3.97Å; F27-Y32 HydrophobicContact CE2-CG 4.38Å; F27-R100 HydrophobicContact CE2-CB 4.43Å; F27-R100 VanDerWaalsContact CG-NH1 3.28Å; F27-R100 HydrophobicContact CZ-CB 4.4Å
28T96.9Very high97.9Very high83 Ų8345.5 Ų45.551%0.50925%0.246SC..  trans-7491.2173.5-51.50000110S30 N31 Y32T28-S30 VanDerWaalsContact C-N 3.26Å; T28-S30 WeakPolarHBondContact CG2-OG 3.27Å; T28-S30 PolarHBondContact O-N 3.4Å; T28-N31 HydrophobicContact CG2-CB 4.44Å; T28-N31 WeakPolarHBondContact O-CB 3.41Å; T28-N31 PolarHBondContact O-N 3.23Å; T28-Y32 WeakPolarHBondContact O-CD2 3.19Å
29F97.9Very high98Very high5 Ų547.5 Ų47.52%0.02225%0.254CS..G310 helixtrans-50.4-41.5-174.7175.3-101.7000114.2T24 F27 N31 Y32 M34 R74 D76 S80 V81T24-F29 HydrophobicContact CG2-CD2 4.16Å; T24-F29 HydrophobicContact CG2-CE2 4.17Å; T24-F29 WeakPolarHBondContact OG1-CD2 3.26Å; F27-F29 HydrophobicContact CE2-CB 4.35Å; F27-F29 HydrophobicContact CE2-CD2 4.25Å; F27-F29 HydrophobicContact CZ-CD2 4.39Å; F27-F29 PolarHBondContact O-N 2.95Å; F29-N31 PolarHBondContact O-N 2.84Å; F29-Y32 PolarHBondContact O-N 3.01Å; F29-Y32 VanDerWaalsContact O-N 3.17Å; F29-M34 HydrophobicContact CD2-CG 4.32Å; F29-M34 HydrophobicContact CD2-SD 4.06Å; F29-M34 HydrophobicContact CE2-CE 4.21Å; F29-M34 HydrophobicContact CE2-CG 3.5Å; F29-M34 HydrophobicContact CE2-SD 3.71Å; F29-M34 HydrophobicContact CZ-CG 3.91Å; F29-R74 HydrophobicContact CE1-CB 4.27Å; F29-R74 HydrophobicContact CZ-CB 4.12Å; F29-R74 PolarHBondContact O-NH2 2.86Å; F29-D76 HydrophobicContact CD1-CB 4.43Å; F29-D76 WeakPolarHBondContact CD1-OD1 3.27Å; F29-D76 WeakPolarHBondContact CE1-OD1 3.45Å; F29-S80 WeakPolarHBondContact CZ-O 3.47Å; F29-V81 HydrophobicContact CZ-CB 4.44Å
30S97.4Very high97.9Very high51 Ų5143.3 Ų43.336%0.35724%0.237SC..G310 helixtrans-60.8-18.3-179.458.80000114.4T28 V53T28-S30 VanDerWaalsContact C-N 3.26Å; T28-S30 WeakPolarHBondContact CG2-OG 3.27Å; T28-S30 PolarHBondContact O-N 3.4Å; S30-V53 WeakPolarHBondContact O-CG1 3.42Å
31N97.2Very high97.8Very high110 Ų11047.8 Ų47.859%0.58827%0.267SS*.G310 helixtrans-89.8-6.5-177.6-66.51.6000113.4T28 F29T28-N31 HydrophobicContact CG2-CB 4.44Å; T28-N31 WeakPolarHBondContact O-CB 3.41Å; T28-N31 PolarHBondContact O-N 3.23Å; F29-N31 PolarHBondContact O-N 2.84Å
32Y97.7Very high97.8Very high96 Ų9651 Ų5138%0.37630%0.304SS..SBendtrans-120142.3-175.5-65.3-88.3000111.6F27 T28 F29 V53 R74 R100F27-Y32 HydrophobicContact CB-CE2 4.43Å; F27-Y32 AromaticContact CD2-CD2 3.52Å; F27-Y32 HydrophobicContact CD2-CD2 3.52Å; F27-Y32 AromaticContact CD2-CE2 3.91Å; F27-Y32 HydrophobicContact CD2-CE2 3.91Å; F27-Y32 HydrophobicContact CD2-CG 4.31Å; F27-Y32 AromaticContact CE2-CD2 3.97Å; F27-Y32 HydrophobicContact CE2-CD2 3.97Å; F27-Y32 HydrophobicContact CE2-CG 4.38Å; T28-Y32 WeakPolarHBondContact O-CD2 3.19Å; F29-Y32 PolarHBondContact O-N 3.01Å; F29-Y32 VanDerWaalsContact O-N 3.17Å; Y32-V53 VanDerWaalsContact C-CG1 3.45Å; Y32-V53 WeakPolarHBondContact O-CG1 3.39Å; Y32-R74 PolarHBondContact O-NH1 2.74Å; Y32-R74 PolarHBondContact O-NH2 2.9Å; Y32-R100 HydrophobicContact CD1-CG 3.94Å; Y32-R100 HydrophobicContact CG-CB 4.41Å; Y32-R100 VanDerWaalsContact CG-CD 3.41Å; Y32-R100 HydrophobicContact CG-CG 4.17Å; Y32-R100 PolarHBondContact OH-NH1 3.33Å
33R98.2Very high97.7Very high125 Ų12557.9 Ų57.947%0.47233%0.334SS..  trans-68.5149.1165.1-56.4-172.9171.1162.5-3.4107.5V50 I51 D56 R100R33-V50 HydrophobicContact CB-CG2 4.12Å; R33-I51 WeakPolarHBondContact CA-O 3.23Å; R33-D56 IonicContact CZ-OD2 3.58Å; R33-D56 IonicContact NE-OD2 3.49Å; R33-D56 PolarHBondContact NE-OD2 3.01Å; R33-D56 IonicContact NH2-OD2 2.81Å; R33-D56 PolarHBondContact NH2-OD2 3.04Å; R33-R100 WeakPolarHBondContact O-CA 3.19Å
34M98.5Very high97.6Very high0 Ų064.8 Ų64.80%035%0.352CS..EExtended strand (participates in β ladder)trans-118.9131.3178.9-63.7-57.2-56.700109.2L4 T24 F29 V50 I51 V81 S99 R100L4-M34 HydrophobicContact CD2-CE 4.1Å; T24-M34 HydrophobicContact CG2-CE 3.86Å; F29-M34 HydrophobicContact CD2-CG 4.32Å; F29-M34 HydrophobicContact CD2-SD 4.06Å; F29-M34 HydrophobicContact CE2-CE 4.21Å; F29-M34 HydrophobicContact CE2-CG 3.5Å; F29-M34 HydrophobicContact CE2-SD 3.71Å; F29-M34 HydrophobicContact CZ-CG 3.91Å; M34-V50 CarbonylContact O-C 3.48Å; M34-V50 VanDerWaalsContact O-CA 3.27Å; M34-V50 WeakPolarHBondContact O-CA 3.38Å; M34-V50 WeakPolarHBondContact O-CG2 3.4Å; M34-I51 HydrophobicContact CB-CG2 3.97Å; M34-I51 PolarHBondContact N-O 2.61Å; M34-I51 PolarHBondContact O-N 2.95Å; M34-V81 HydrophobicContact CB-CB 4.05Å; M34-V81 HydrophobicContact CB-CG1 4.23Å; M34-V81 HydrophobicContact CB-CG2 3.87Å; M34-V81 HydrophobicContact CE-CG1 4.12Å; M34-V81 HydrophobicContact CG-CB 4.32Å; M34-S99 WeakPolarHBondContact CA-O 3.45Å; M34-S99 WeakPolarHBondContact CE-O 3.38Å; M34-R100 HydrophobicContact CE-CB 4.35Å; M34-R100 HydrophobicContact SD-CB 3.82Å
35H98.6Very high97.6Very high50 Ų5068.5 Ų68.523%0.23137%0.371CS..EExtended strand (participates in β ladder)trans-112.1148.6-178.4-61.4-108.1000109.8L37 W47 A49 V50 C98 S99H35-L37 HydrophobicContact CB-CD1 4.31Å; H35-W47 AromaticContact CG-NE1 3.99Å; H35-W47 AromaticContact ND1-CD1 3.57Å; H35-W47 AromaticContact ND1-NE1 3.16Å; H35-W47 PolarHBondContact ND1-NE1 2.77Å; H35-W47 VanDerWaalsContact ND1-NE1 3.16Å; H35-A49 CarbonylContact C-O 3.46Å; H35-A49 VanDerWaalsContact CA-O 3.29Å; H35-A49 WeakPolarHBondContact CA-O 3.47Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.21Å; H35-C98 CarbonylContact O-C 3.6Å; H35-C98 VanDerWaalsContact O-CA 3.27Å; H35-C98 WeakPolarHBondContact O-CA 3.23Å; H35-S99 WeakPolarHBondContact CB-OG 3.42Å; H35-S99 PolarHBondContact N-O 3.02Å; H35-S99 PolarHBondContact O-N 3.49Å
36W98.7Very high97.6Very high1 Ų169.2 Ų69.20%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-111137.3160.8-78.697.3000109.3E6 L20 C22 I48 A49 V81 L83 F97 C98E6-W36 HydrophobicContact CB-CH2 4.49Å; E6-W36 HydrophobicContact CG-CH2 4.03Å; E6-W36 HydrophobicContact CG-CZ3 3.9Å; L20-W36 HydrophobicContact CB-CH2 3.79Å; L20-W36 HydrophobicContact CB-CZ2 4.17Å; L20-W36 HydrophobicContact CB-CZ3 4.3Å; L20-W36 HydrophobicContact CD1-CH2 4.42Å; L20-W36 HydrophobicContact CD1-CZ3 4.1Å; C22-W36 HydrophobicContact CB-CH2 3.8Å; C22-W36 HydrophobicContact CB-CZ2 3.72Å; W36-I48 HydrophobicContact CB-CD1 4.03Å; W36-I48 HydrophobicContact CB-CG1 3.75Å; W36-I48 WeakPolarHBondContact O-CG1 3.48Å; W36-I48 PolarHBondContact O-N 2.81Å; W36-A49 HydrophobicContact CB-CB 4.47Å; W36-A49 PolarHBondContact N-O 2.75Å; W36-A49 PolarHBondContact O-N 3.12Å; W36-V81 HydrophobicContact CZ2-CG1 4.28Å; W36-L83 HydrophobicContact CB-CD2 4.27Å; W36-L83 HydrophobicContact CD2-CB 4.05Å; W36-L83 HydrophobicContact CD2-CD2 4.18Å; W36-L83 HydrophobicContact CE3-CD2 4.5Å; W36-L83 HydrophobicContact CG-CB 4.16Å; W36-L83 HydrophobicContact CG-CD1 4.32Å; W36-L83 HydrophobicContact CG-CD2 4.08Å; W36-L83 HydrophobicContact CG-CG 4.43Å; W36-L83 HydrophobicContact CZ2-CB 4.23Å; W36-F97 WeakPolarHBondContact CA-O 3.39Å; W36-C98 HydrophobicContact CD2-CB 4.34Å; W36-C98 HydrophobicContact CE3-CB 4.29Å; W36-C98 HydrophobicContact CH2-CB 4.27Å; W36-C98 HydrophobicContact CZ2-CB 4.32Å; W36-C98 HydrophobicContact CZ3-CB 4.25Å
37L98.5Very high97.6Very high30 Ų3071.2 Ų71.216%0.15736%0.36CS..EExtended strand (participates in β ladder)trans-124.2155.9172.3-55.295.8000108.4H35 L45 E46 Y96 F97 S99H35-L37 HydrophobicContact CB-CD1 4.31Å; L37-L45 HydrophobicContact CB-CD1 3.8Å; L37-L45 HydrophobicContact CB-CD2 4.38Å; L37-L45 HydrophobicContact CB-CG 4.01Å; L37-L45 HydrophobicContact CD2-CD2 3.65Å; L37-L45 HydrophobicContact CD2-CG 3.87Å; L37-E46 CarbonylContact C-O 3.54Å; L37-E46 WeakPolarHBondContact CA-O 3.28Å; L37-E46 WeakPolarHBondContact CB-O 3.39Å; L37-Y96 WeakPolarHBondContact O-CA 3.37Å; L37-F97 PolarHBondContact N-O 2.81Å; L37-F97 PolarHBondContact O-N 2.96Å; L37-S99 WeakPolarHBondContact CD1-OG 3.37Å
38R97.9Very high97.7Very high11 Ų1169.5 Ų69.54%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-133.9152.1170.573.8-177.9179.6174.510111.3E46 I48 D92 A94 T95 Y96R38-E46 HydrophobicContact CG-CG 3.65Å; R38-E46 IonicContact CZ-OE1 2.81Å; R38-E46 PolarHBondContact N-O 2.81Å; R38-E46 IonicContact NE-OE1 3.94Å; R38-E46 PolarHBondContact NE-OE1 2.96Å; R38-E46 IonicContact NH2-OE1 3.67Å; R38-E46 PolarHBondContact NH2-OE1 2.81Å; R38-E46 WeakPolarHBondContact O-CG 3.29Å; R38-E46 PolarHBondContact O-N 2.99Å; R38-I48 HydrophobicContact CB-CD1 4.32Å; R38-I48 HydrophobicContact CG-CG2 3.73Å; R38-D92 IonicContact CZ-OD1 2.62Å; R38-D92 IonicContact NH1-OD1 2.78Å; R38-D92 PolarHBondContact NH1-OD1 2.93Å; R38-A94 HydrophobicContact CB-CB 3.82Å; R38-A94 HydrophobicContact CG-CB 4.17Å; R38-T95 CarbonylContact C-O 3.6Å; R38-T95 VanDerWaalsContact CA-O 3.22Å; R38-T95 WeakPolarHBondContact CA-O 3.3Å; R38-Y96 HydrophobicContact CB-CD1 3.78Å; R38-Y96 HydrophobicContact CB-CE1 3.67Å; R38-Y96 HydrophobicContact CB-CE2 4.42Å; R38-Y96 HydrophobicContact CB-CG 4.2Å; R38-Y96 HydrophobicContact CG-CE1 4.38Å
39Q98.2Very high97.8Very high82 Ų8265.6 Ų65.638%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-125.8100175-172.2178.526.200109.1K43 L45 A94 T95 F97Q39-K43 WeakPolarHBondContact CG-O 3.41Å; Q39-K43 PolarHBondContact NE2-O 2.87Å; Q39-L45 HydrophobicContact CB-CD1 4.03Å; Q39-A94 WeakPolarHBondContact O-CA 3.35Å; Q39-A94 WeakPolarHBondContact O-CB 3.5Å; Q39-T95 PolarHBondContact N-O 2.84Å; Q39-T95 PolarHBondContact O-N 3.06Å; Q39-F97 HydrophobicContact CB-CE2 3.97Å
40P97.4Very high97.9Very high12 Ų1266 Ų668%0.07833%0.331CS..  trans-63.6152.5172.1-19.131.2000111.2G42 K43 A94P40-G42 PolarHBondContact O-N 3.4Å; P40-K43 HydrophobicContact CB-CB 4.04Å; P40-K43 HydrophobicContact CB-CD 3.98Å; P40-K43 HydrophobicContact CB-CG 4.18Å; P40-K43 HydrophobicContact CG-CB 4.26Å; P40-K43 HydrophobicContact CG-CD 4.23Å; P40-K43 PolarHBondContact O-N 2.83Å; P40-A94 HydrophobicContact CB-CB 4.47Å; P40-A94 HydrophobicContact CG-CB 4.32Å
41P96.8Very high97.9Very high103 Ų10363.9 Ų63.967%0.66932%0.316SS*.THydrogen-bonded Turntrans-52.3126176.7-26.134.2000112K43 T93P41-K43 PolarHBondContact O-N 2.68Å; P41-T93 VanDerWaalsContact CD-O 3.28Å; P41-T93 WeakPolarHBondContact CD-O 3.41Å
42G97.1Very high98Very high93 Ų9359.3 Ų59.396%0.95929%0.292SS*.THydrogen-bonded Turntrans70.28.7179.800000115.6P40P40-G42 PolarHBondContact O-N 3.4Å
43K96.7Very high98Very high144 Ų14455.6 Ų55.663%0.62628%0.28SS*.SBendtrans-114.5165.3178.8-61.5-168.8-176.2175.50112Q39 P40 P41Q39-K43 WeakPolarHBondContact CG-O 3.41Å; Q39-K43 PolarHBondContact NE2-O 2.87Å; P40-K43 HydrophobicContact CB-CB 4.04Å; P40-K43 HydrophobicContact CB-CD 3.98Å; P40-K43 HydrophobicContact CB-CG 4.18Å; P40-K43 HydrophobicContact CG-CB 4.26Å; P40-K43 HydrophobicContact CG-CD 4.23Å; P40-K43 PolarHBondContact O-N 2.83Å; P41-K43 PolarHBondContact O-N 2.68Å
44R96.8Very high98Very high219 Ų21956.6 Ų56.683%0.82629%0.287SS*.  trans-69.3158.7172.367.7-179.6-178.8-174.70.3111
45L97.5Very high97.9Very high84 Ų8461.3 Ų61.344%0.4432%0.32SS..  trans-60.5136.6169.4-167.768.2000110.1L37 Q39 F97L37-L45 HydrophobicContact CB-CD1 3.8Å; L37-L45 HydrophobicContact CB-CD2 4.38Å; L37-L45 HydrophobicContact CB-CG 4.01Å; L37-L45 HydrophobicContact CD2-CD2 3.65Å; L37-L45 HydrophobicContact CD2-CG 3.87Å; Q39-L45 HydrophobicContact CB-CD1 4.03Å; L45-F97 HydrophobicContact CD1-CD2 3.72Å; L45-F97 HydrophobicContact CD1-CE2 4.08Å
46E97.7Very high97.8Very high66 Ų6662 Ų6231%0.30833%0.325SS..EExtended strand (participates in β ladder)trans-130.1138.6175.564.3-177.3-170.600111.4L37 R38 I48L37-E46 CarbonylContact C-O 3.54Å; L37-E46 WeakPolarHBondContact CA-O 3.28Å; L37-E46 WeakPolarHBondContact CB-O 3.39Å; R38-E46 HydrophobicContact CG-CG 3.65Å; R38-E46 IonicContact CZ-OE1 2.81Å; R38-E46 PolarHBondContact N-O 2.81Å; R38-E46 IonicContact NE-OE1 3.94Å; R38-E46 PolarHBondContact NE-OE1 2.96Å; R38-E46 IonicContact NH2-OE1 3.67Å; R38-E46 PolarHBondContact NH2-OE1 2.81Å; R38-E46 WeakPolarHBondContact O-CG 3.29Å; R38-E46 PolarHBondContact O-N 2.99Å; E46-I48 HydrophobicContact CG-CG2 4.36Å
47W98.3Very high97.8Very high95 Ų9568.9 Ų68.936%0.3636%0.362SS..EExtended strand (participates in β ladder)trans-75.7138.1173.7173.383.9000110.1H35 A49 V50 N61 A63H35-W47 AromaticContact CG-NE1 3.99Å; H35-W47 AromaticContact ND1-CD1 3.57Å; H35-W47 AromaticContact ND1-NE1 3.16Å; H35-W47 PolarHBondContact ND1-NE1 2.77Å; H35-W47 VanDerWaalsContact ND1-NE1 3.16Å; W47-A49 PolarHBondContact NE1-O 2.89Å; W47-V50 HydrophobicContact CZ2-CB 3.81Å; W47-V50 HydrophobicContact CZ2-CG1 3.71Å; W47-N61 HydrophobicContact CH2-CB 4.2Å; W47-A63 HydrophobicContact CE3-CB 4.04Å; W47-A63 HydrophobicContact CZ3-CB 3.96Å; W47-A63 WeakPolarHBondContact O-CB 3.29Å
48I98.3Very high97.8Very high0 Ų071.6 Ų71.60%037%0.371CS..EExtended strand (participates in β ladder)trans-126.5-29.4-176.659169.6000114.9W36 R38 E46 Y62 A63 V66 F70 L83 Y96W36-I48 HydrophobicContact CB-CD1 4.03Å; W36-I48 HydrophobicContact CB-CG1 3.75Å; W36-I48 WeakPolarHBondContact O-CG1 3.48Å; W36-I48 PolarHBondContact O-N 2.81Å; R38-I48 HydrophobicContact CB-CD1 4.32Å; R38-I48 HydrophobicContact CG-CG2 3.73Å; E46-I48 HydrophobicContact CG-CG2 4.36Å; I48-Y62 CarbonylContact O-C 3.56Å; I48-Y62 WeakPolarHBondContact O-CA 2.94Å; I48-A63 PolarHBondContact O-N 2.85Å; I48-V66 HydrophobicContact CB-CG1 4.42Å; I48-V66 HydrophobicContact CB-CG2 4.15Å; I48-V66 HydrophobicContact CG2-CG1 4.36Å; I48-V66 VanDerWaalsContact O-CG2 3.3Å; I48-V66 WeakPolarHBondContact O-CG2 3.5Å; I48-F70 HydrophobicContact CD1-CD2 4.37Å; I48-F70 HydrophobicContact CD1-CE2 4.36Å; I48-L83 HydrophobicContact CD1-CD2 3.71Å; I48-Y96 HydrophobicContact CD1-CD1 3.77Å; I48-Y96 HydrophobicContact CD1-CE1 3.55Å
49A98.7Very high97.8Very high0 Ų072.6 Ų72.60%038%0.384CS..EExtended strand (participates in β ladder)trans-157.3155.6178.600000112H35 W36 W47 N61 Y62 I72 L83H35-A49 CarbonylContact C-O 3.46Å; H35-A49 VanDerWaalsContact CA-O 3.29Å; H35-A49 WeakPolarHBondContact CA-O 3.47Å; W36-A49 HydrophobicContact CB-CB 4.47Å; W36-A49 PolarHBondContact N-O 2.75Å; W36-A49 PolarHBondContact O-N 3.12Å; W47-A49 PolarHBondContact NE1-O 2.89Å; A49-N61 CarbonylContact C-O 3.54Å; A49-N61 VanDerWaalsContact CA-O 3.27Å; A49-N61 WeakPolarHBondContact CA-O 3.33Å; A49-Y62 HydrophobicContact CB-CD1 3.85Å; A49-Y62 HydrophobicContact CB-CE1 4.14Å; A49-I72 HydrophobicContact CB-CB 4.1Å; A49-I72 HydrophobicContact CB-CD1 4.1Å; A49-I72 HydrophobicContact CB-CG2 4.18Å; A49-L83 HydrophobicContact CB-CD1 4.26Å
50V98.7Very high97.8Very high13 Ų1370.4 Ų70.48%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-140.2145.3168.768.90000109.5R33 M34 H35 W47 A60 N61R33-V50 HydrophobicContact CB-CG2 4.12Å; M34-V50 CarbonylContact O-C 3.48Å; M34-V50 VanDerWaalsContact O-CA 3.27Å; M34-V50 WeakPolarHBondContact O-CA 3.38Å; M34-V50 WeakPolarHBondContact O-CG2 3.4Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.21Å; W47-V50 HydrophobicContact CZ2-CB 3.81Å; W47-V50 HydrophobicContact CZ2-CG1 3.71Å; V50-A60 VanDerWaalsContact O-CA 3.25Å; V50-A60 WeakPolarHBondContact O-CA 3.22Å; V50-N61 HydrophobicContact CG1-CB 3.88Å; V50-N61 PolarHBondContact N-O 2.99Å; V50-N61 PolarHBondContact O-N 2.58Å
51I98.8Very high97.8Very high8 Ų874.7 Ų74.74%0.04140%0.403CS..EExtended strand (participates in β ladder)trans-122.9128.8167.6-171.3160.4000108.9R33 M34 I72 R74 V81R33-I51 WeakPolarHBondContact CA-O 3.23Å; M34-I51 HydrophobicContact CB-CG2 3.97Å; M34-I51 PolarHBondContact N-O 2.61Å; M34-I51 PolarHBondContact O-N 2.95Å; I51-I72 HydrophobicContact CB-CD1 3.87Å; I51-I72 HydrophobicContact CB-CG1 4.05Å; I51-I72 HydrophobicContact CB-CG2 3.98Å; I51-I72 HydrophobicContact CG2-CD1 3.64Å; I51-I72 HydrophobicContact CG2-CG1 3.93Å; I51-R74 HydrophobicContact CD1-CB 4.22Å; I51-R74 HydrophobicContact CD1-CG 3.75Å; I51-R74 HydrophobicContact CG1-CG 4.24Å; I51-R74 HydrophobicContact CG2-CB 4.23Å; I51-R74 HydrophobicContact CG2-CG 4.4Å; I51-V81 HydrophobicContact CG2-CG2 3.99Å
52T98.4Very high97.9Very high13 Ų1372.9 Ų72.98%0.0838%0.383CS..  trans-78.7179.2-178.463.80000111.6D56 G59 R74T52-D56 HydrophobicContact CG2-CB 4.17Å; T52-D56 WeakPolarHBondContact OG1-CB 3.3Å; T52-D56 PolarHBondContact OG1-O 2.82Å; T52-G59 WeakPolarHBondContact CG2-O 3.38Å; T52-G59 PolarHBondContact N-O 3.34Å; T52-G59 WeakPolarHBondContact OG1-CA 3.45Å; T52-G59 PolarHBondContact OG1-N 2.78Å; T52-G59 PolarHBondContact OG1-O 3.44Å; T52-G59 VanDerWaalsContact OG1-O 3.12Å; T52-R74 WeakPolarHBondContact O-CD 3.49Å; T52-R74 PolarHBondContact O-NH1 2.78Å; T52-R74 VanDerWaalsContact O-NH1 3.09Å
53V98.2Very high98Very high19 Ų1969.2 Ų69.212%0.11534%0.344CS..  trans-82.7170.9177.6-65.10000110.9S30 Y32 S55 D56 Y58S30-V53 WeakPolarHBondContact O-CG1 3.42Å; Y32-V53 VanDerWaalsContact C-CG1 3.45Å; Y32-V53 WeakPolarHBondContact O-CG1 3.39Å; V53-S55 VanDerWaalsContact C-N 3.27Å; V53-S55 VanDerWaalsContact CG2-OG 3.27Å; V53-S55 WeakPolarHBondContact CG2-OG 3.36Å; V53-S55 PolarHBondContact O-N 3.16Å; V53-D56 PolarHBondContact O-N 2.74Å; V53-Y58 PolarHBondContact O-N 3.02Å
54K97.3Very high98Very high146 Ų14669.3 Ų69.364%0.63535%0.346SS*.G310 helixtrans-55.2-37.2-178.6-171.8174.1-179.2177.10114.1D56 N57 Y58K54-D56 PolarHBondContact O-N 2.96Å; K54-N57 PolarHBondContact O-N 3.14Å; K54-N57 VanDerWaalsContact O-N 3.08Å; K54-Y58 HydrophobicContact CB-CE1 3.92Å; K54-Y58 HydrophobicContact CB-CE2 4.19Å; K54-Y58 HydrophobicContact CG-CE2 3.93Å
55S97Very high98Very high98 Ų9861.1 Ų61.169%0.68532%0.323SS*.G310 helixtrans-64.9-23.4178.859.10000113.5V53 N57V53-S55 VanDerWaalsContact C-N 3.27Å; V53-S55 VanDerWaalsContact CG2-OG 3.27Å; V53-S55 WeakPolarHBondContact CG2-OG 3.36Å; V53-S55 PolarHBondContact O-N 3.16Å; S55-N57 VanDerWaalsContact C-N 3.31Å
56D97.5Very high98Very high64 Ų6457.1 Ų57.134%0.34230%0.302SS..G310 helixtrans-98.323.4177.2-63.9-14.9000110.7R33 T52 V53 K54 Y58 G59R33-D56 IonicContact CZ-OD2 3.58Å; R33-D56 IonicContact NE-OD2 3.49Å; R33-D56 PolarHBondContact NE-OD2 3.01Å; R33-D56 IonicContact NH2-OD2 2.81Å; R33-D56 PolarHBondContact NH2-OD2 3.04Å; T52-D56 HydrophobicContact CG2-CB 4.17Å; T52-D56 WeakPolarHBondContact OG1-CB 3.3Å; T52-D56 PolarHBondContact OG1-O 2.82Å; V53-D56 PolarHBondContact O-N 2.74Å; K54-D56 PolarHBondContact O-N 2.96Å; D56-Y58 PolarHBondContact O-N 3.21Å; D56-Y58 VanDerWaalsContact O-N 3.11Å; D56-G59 PolarHBondContact O-N 2.95Å
57N97.5Very high98Very high146 Ų14660 Ų6078%0.78131%0.313SS*.THydrogen-bonded Turntrans51.930.9-177.8-66.9-39.9000114.7K54 S55 G59K54-N57 PolarHBondContact O-N 3.14Å; K54-N57 VanDerWaalsContact O-N 3.08Å; S55-N57 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact O-N 2.8Å; N57-G59 VanDerWaalsContact O-N 3.14Å
58Y98Very high97.9Very high88 Ų8858.3 Ų58.335%0.34533%0.326SS..THydrogen-bonded Turntrans54.330.7-176.5-56.3-65.6000113.8V53 K54 D56 A60 R74 D76V53-Y58 PolarHBondContact O-N 3.02Å; K54-Y58 HydrophobicContact CB-CE1 3.92Å; K54-Y58 HydrophobicContact CB-CE2 4.19Å; K54-Y58 HydrophobicContact CG-CE2 3.93Å; D56-Y58 PolarHBondContact O-N 3.21Å; D56-Y58 VanDerWaalsContact O-N 3.11Å; Y58-A60 PolarHBondContact O-N 3.19Å; Y58-R74 HydrophobicContact CD1-CG 4.06Å; Y58-R74 HydrophobicContact CE1-CG 4.16Å; Y58-D76 WeakPolarHBondContact CE1-OD2 3.29Å; Y58-D76 PolarHBondContact OH-OD2 2.62Å
59G98.3Very high97.9Very high31 Ų3159 Ų5932%0.3233%0.328SS..  trans-48.2133.6173.500000112.4T52 D56 N57T52-G59 WeakPolarHBondContact CG2-O 3.38Å; T52-G59 PolarHBondContact N-O 3.34Å; T52-G59 WeakPolarHBondContact OG1-CA 3.45Å; T52-G59 PolarHBondContact OG1-N 2.78Å; T52-G59 PolarHBondContact OG1-O 3.44Å; T52-G59 VanDerWaalsContact OG1-O 3.12Å; D56-G59 PolarHBondContact O-N 2.95Å; N57-G59 PolarHBondContact O-N 2.8Å; N57-G59 VanDerWaalsContact O-N 3.14Å
60A98.5Very high97.9Very high37 Ų3759.3 Ų59.331%0.30633%0.33SS..EExtended strand (participates in β ladder)trans-117.5137.2-179.800000110.7V50 Y58 Y62 I72V50-A60 VanDerWaalsContact O-CA 3.25Å; V50-A60 WeakPolarHBondContact O-CA 3.22Å; Y58-A60 PolarHBondContact O-N 3.19Å; A60-Y62 HydrophobicContact CB-CE2 3.9Å; A60-I72 HydrophobicContact CB-CG2 3.74Å
61N98.4Very high97.9Very high102 Ų10260.4 Ų60.455%0.54534%0.34SS..EExtended strand (participates in β ladder)trans-125.4150.8171.2-64.8-65.2000110W47 A49 V50W47-N61 HydrophobicContact CH2-CB 4.2Å; A49-N61 CarbonylContact C-O 3.54Å; A49-N61 VanDerWaalsContact CA-O 3.27Å; A49-N61 WeakPolarHBondContact CA-O 3.33Å; V50-N61 HydrophobicContact CG1-CB 3.88Å; V50-N61 PolarHBondContact N-O 2.99Å; V50-N61 PolarHBondContact O-N 2.58Å
62Y98.7Very high97.9Very high64 Ų6460.6 Ų60.625%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-132.7146.3-173.9-58.4-87.4000110.3I48 A49 A60 F70 A71 I72I48-Y62 CarbonylContact O-C 3.56Å; I48-Y62 WeakPolarHBondContact O-CA 2.94Å; A49-Y62 HydrophobicContact CB-CD1 3.85Å; A49-Y62 HydrophobicContact CB-CE1 4.14Å; A60-Y62 HydrophobicContact CB-CE2 3.9Å; Y62-F70 WeakPolarHBondContact CE1-O 3.27Å; Y62-A71 WeakPolarHBondContact OH-CA 3.42Å; Y62-I72 HydrophobicContact CE1-CB 4.21Å; Y62-I72 HydrophobicContact CE1-CG2 3.8Å; Y62-I72 PolarHBondContact OH-N 3.01Å
63A98.2Very high97.9Very high16 Ų1662 Ų6213%0.13235%0.351CS..  trans-66.8148.2167.200000110.2W47 I48 S65 V66 K67W47-A63 HydrophobicContact CE3-CB 4.04Å; W47-A63 HydrophobicContact CZ3-CB 3.96Å; W47-A63 WeakPolarHBondContact O-CB 3.29Å; I48-A63 PolarHBondContact O-N 2.85Å; A63-S65 PolarHBondContact O-N 2.96Å; A63-S65 VanDerWaalsContact O-N 3.14Å; A63-V66 HydrophobicContact CB-CG2 4.39Å; A63-V66 WeakPolarHBondContact O-CG2 3.4Å; A63-V66 PolarHBondContact O-N 2.78Å; A63-K67 PolarHBondContact O-N 2.79Å
64E97.7Very high97.9Very high146 Ų14662.4 Ų62.468%0.68235%0.351SS*.THydrogen-bonded Turntrans-58.7-32.2-176.3-164.456.9-145.600112.4V66 K67E64-V66 PolarHBondContact O-N 2.79Å; E64-K67 WeakPolarHBondContact OE2-CD 3.25Å; E64-K67 IonicContact OE2-NZ 2.77Å
65S96.5Very high97.9Very high48 Ų4857.2 Ų57.234%0.33633%0.33SS..THydrogen-bonded Turntrans-61.6-25.4177.855.80000114.5A63 R69A63-S65 PolarHBondContact O-N 2.96Å; A63-S65 VanDerWaalsContact O-N 3.14Å; S65-R69 PolarHBondContact O-NH2 3.14Å
66V97.7Very high97.9Very high0 Ų054.6 Ų54.60%031%0.308CS..THydrogen-bonded Turntrans-119.5-6.5-175.9-57.50000113.3I48 A63 E64 G68 R69 F70I48-V66 HydrophobicContact CB-CG1 4.42Å; I48-V66 HydrophobicContact CB-CG2 4.15Å; I48-V66 HydrophobicContact CG2-CG1 4.36Å; I48-V66 VanDerWaalsContact O-CG2 3.3Å; I48-V66 WeakPolarHBondContact O-CG2 3.5Å; A63-V66 HydrophobicContact CB-CG2 4.39Å; A63-V66 WeakPolarHBondContact O-CG2 3.4Å; A63-V66 PolarHBondContact O-N 2.78Å; E64-V66 PolarHBondContact O-N 2.79Å; V66-G68 PolarHBondContact O-N 2.97Å; V66-R69 PolarHBondContact O-N 2.99Å; V66-F70 HydrophobicContact CB-CB 4.06Å; V66-F70 HydrophobicContact CB-CD1 4.3Å; V66-F70 HydrophobicContact CB-CD2 3.55Å; V66-F70 HydrophobicContact CB-CE2 3.98Å; V66-F70 HydrophobicContact CB-CG 3.72Å; V66-F70 HydrophobicContact CG1-CD2 3.55Å; V66-F70 HydrophobicContact CG1-CE2 3.46Å; V66-F70 VanDerWaalsContact CG1-CE2 3.46Å; V66-F70 HydrophobicContact CG1-CG 4.17Å; V66-F70 HydrophobicContact CG1-CZ 3.99Å; V66-F70 HydrophobicContact CG2-CB 4.33Å; V66-F70 HydrophobicContact CG2-CD2 4.11Å; V66-F70 HydrophobicContact CG2-CG 4.4Å; V66-F70 PolarHBondContact O-N 2.86Å
67K97.3Very high97.9Very high125 Ų12556.6 Ų56.654%0.54333%0.327SS..THydrogen-bonded Turntrans-56.7132.2-177.5-168176-177.7-179.10111A63 E64 R69A63-K67 PolarHBondContact O-N 2.79Å; E64-K67 WeakPolarHBondContact OE2-CD 3.25Å; E64-K67 IonicContact OE2-NZ 2.77Å; K67-R69 PolarHBondContact O-N 3.02Å
68G97.4Very high97.9Very high60 Ų6055.5 Ų55.562%0.61932%0.315SS*.THydrogen-bonded Turntrans74.6-2.8-176.600000115.1V66 R87V66-G68 PolarHBondContact O-N 2.97Å; G68-R87 PolarHBondContact O-NH2 3.28Å
69R97.8Very high97.9Very high14 Ų1453.3 Ų53.35%0.05331%0.313CS..THydrogen-bonded Turntrans-111.8-41.5174.7-61.6-170.5-56.2108.9-2.8111.6S65 V66 K67 N86 R87 D92S65-R69 PolarHBondContact O-NH2 3.14Å; V66-R69 PolarHBondContact O-N 2.99Å; K67-R69 PolarHBondContact O-N 3.02Å; R69-N86 WeakPolarHBondContact CB-O 3.39Å; R69-N86 VanDerWaalsContact O-CB 3.24Å; R69-N86 WeakPolarHBondContact O-CB 3.34Å; R69-N86 PolarHBondContact O-N 3.23Å; R69-N86 PolarHBondContact O-ND2 3.33Å; R69-R87 PolarHBondContact NH1-O 3.3Å; R69-D92 IonicContact CZ-OD1 3.67Å; R69-D92 IonicContact CZ-OD2 3.46Å; R69-D92 IonicContact NH1-OD1 3.57Å; R69-D92 IonicContact NH1-OD2 2.68Å; R69-D92 PolarHBondContact NH1-OD2 3.25Å; R69-D92 IonicContact NH2-OD1 2.83Å; R69-D92 PolarHBondContact NH2-OD1 3.39Å; R69-D92 IonicContact NH2-OD2 3.4Å; R69-D92 PolarHBondContact NH2-OD2 3.12Å
70F98.2Very high97.9Very high8 Ų852 Ų524%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-100.5151.3-179.7-64.67.9000110.8I48 Y62 V66 L83 E84 M85 L88 D92 Y96I48-F70 HydrophobicContact CD1-CD2 4.37Å; I48-F70 HydrophobicContact CD1-CE2 4.36Å; Y62-F70 WeakPolarHBondContact CE1-O 3.27Å; V66-F70 HydrophobicContact CB-CB 4.06Å; V66-F70 HydrophobicContact CB-CD1 4.3Å; V66-F70 HydrophobicContact CB-CD2 3.55Å; V66-F70 HydrophobicContact CB-CE2 3.98Å; V66-F70 HydrophobicContact CB-CG 3.72Å; V66-F70 HydrophobicContact CG1-CD2 3.55Å; V66-F70 HydrophobicContact CG1-CE2 3.46Å; V66-F70 VanDerWaalsContact CG1-CE2 3.46Å; V66-F70 HydrophobicContact CG1-CG 4.17Å; V66-F70 HydrophobicContact CG1-CZ 3.99Å; V66-F70 HydrophobicContact CG2-CB 4.33Å; V66-F70 HydrophobicContact CG2-CD2 4.11Å; V66-F70 HydrophobicContact CG2-CG 4.4Å; V66-F70 PolarHBondContact O-N 2.86Å; F70-L83 HydrophobicContact CB-CD1 4.23Å; F70-L83 HydrophobicContact CD2-CD1 4.38Å; F70-L83 HydrophobicContact CD2-CD2 4.14Å; F70-L83 HydrophobicContact CD2-CG 4.42Å; F70-E84 CarbonylContact C-O 3.57Å; F70-E84 WeakPolarHBondContact CA-O 3.41Å; F70-M85 HydrophobicContact CD1-CB 3.89Å; F70-M85 HydrophobicContact CD1-CG 4.23Å; F70-M85 HydrophobicContact CD2-CG 4.1Å; F70-M85 HydrophobicContact CE1-CB 3.75Å; F70-M85 HydrophobicContact CE1-CE 4.36Å; F70-M85 HydrophobicContact CE1-CG 4.19Å; F70-M85 HydrophobicContact CE2-CB 4.48Å; F70-M85 HydrophobicContact CE2-CE 3.77Å; F70-M85 HydrophobicContact CE2-CG 4.03Å; F70-M85 HydrophobicContact CG-CB 4.36Å; F70-M85 HydrophobicContact CG-CG 4.22Å; F70-M85 HydrophobicContact CZ-CB 4.08Å; F70-M85 HydrophobicContact CZ-CE 3.58Å; F70-M85 HydrophobicContact CZ-CG 4.1Å; F70-L88 HydrophobicContact CE1-CD2 3.92Å; F70-L88 HydrophobicContact CZ-CD2 3.93Å; F70-D92 HydrophobicContact CZ-CB 4.19Å; F70-Y96 HydrophobicContact CE2-CE1 4.25Å
71A98.5Very high97.9Very high36 Ų3650.3 Ų50.330%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-134.2125.5174.400000109.8Y62 E84Y62-A71 WeakPolarHBondContact OH-CA 3.42Å; A71-E84 HydrophobicContact CB-CB 4.35Å; A71-E84 PolarHBondContact N-O 2.88Å; A71-E84 PolarHBondContact O-N 3.41Å
72I98.7Very high97.9Very high11 Ų1147.5 Ų47.56%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-97.4137.3175-170176.1000109.1A49 I51 A60 Y62 V81 Y82 L83A49-I72 HydrophobicContact CB-CB 4.1Å; A49-I72 HydrophobicContact CB-CD1 4.1Å; A49-I72 HydrophobicContact CB-CG2 4.18Å; I51-I72 HydrophobicContact CB-CD1 3.87Å; I51-I72 HydrophobicContact CB-CG1 4.05Å; I51-I72 HydrophobicContact CB-CG2 3.98Å; I51-I72 HydrophobicContact CG2-CD1 3.64Å; I51-I72 HydrophobicContact CG2-CG1 3.93Å; A60-I72 HydrophobicContact CB-CG2 3.74Å; Y62-I72 HydrophobicContact CE1-CB 4.21Å; Y62-I72 HydrophobicContact CE1-CG2 3.8Å; Y62-I72 PolarHBondContact OH-N 3.01Å; I72-V81 HydrophobicContact CD1-CG2 3.93Å; I72-V81 HydrophobicContact CG1-CG2 3.83Å; I72-Y82 WeakPolarHBondContact CA-O 3.45Å; I72-Y82 WeakPolarHBondContact CG1-O 3.46Å; I72-L83 HydrophobicContact CB-CD1 4.35Å
73S98.5Very high97.9Very high42 Ų4244.4 Ų44.429%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-140.6162.3173.859.10000110.5V81 Y82S73-V81 CarbonylContact O-C 3.51Å; S73-V81 WeakPolarHBondContact O-CA 3.41Å; S73-V81 VanDerWaalsContact O-CG2 3.29Å; S73-V81 WeakPolarHBondContact O-CG2 3.13Å; S73-Y82 PolarHBondContact N-O 2.86Å; S73-Y82 PolarHBondContact O-N 2.91Å
74R98.4Very high98Very high29 Ų2947.1 Ų47.111%0.10927%0.265CS..EExtended strand (participates in β ladder)trans-137149.1178.265.6-172.4-76.1157.710.8111.4F29 Y32 I51 T52 Y58 D76 S80F29-R74 HydrophobicContact CE1-CB 4.27Å; F29-R74 HydrophobicContact CZ-CB 4.12Å; F29-R74 PolarHBondContact O-NH2 2.86Å; Y32-R74 PolarHBondContact O-NH1 2.74Å; Y32-R74 PolarHBondContact O-NH2 2.9Å; I51-R74 HydrophobicContact CD1-CB 4.22Å; I51-R74 HydrophobicContact CD1-CG 3.75Å; I51-R74 HydrophobicContact CG1-CG 4.24Å; I51-R74 HydrophobicContact CG2-CB 4.23Å; I51-R74 HydrophobicContact CG2-CG 4.4Å; T52-R74 WeakPolarHBondContact O-CD 3.49Å; T52-R74 PolarHBondContact O-NH1 2.78Å; T52-R74 VanDerWaalsContact O-NH1 3.09Å; Y58-R74 HydrophobicContact CD1-CG 4.06Å; Y58-R74 HydrophobicContact CE1-CG 4.16Å; R74-D76 IonicContact CZ-OD1 3.23Å; R74-D76 VanDerWaalsContact CZ-OD1 3.23Å; R74-D76 IonicContact NE-OD1 2.78Å; R74-D76 PolarHBondContact NE-OD1 2.93Å; R74-D76 IonicContact NH2-OD1 2.86Å; R74-D76 PolarHBondContact NH2-OD1 3.35Å; R74-S80 WeakPolarHBondContact CA-O 3.33Å
75D97.9Very high98Very high37 Ų3740.3 Ų40.320%0.19823%0.233CC..EExtended strand (participates in β ladder)trans-123.2101.2171.9-174.3-20.1000108.3S77 K78 S79 S80 Y82D75-S77 PolarHBondContact O-N 3.49Å; D75-S77 WeakPolarHBondContact OD1-CB 3.47Å; D75-S77 PolarHBondContact OD1-N 2.88Å; D75-S77 PolarHBondContact OD1-OG 3.12Å; D75-K78 HydrophobicContact CB-CB 4.26Å; D75-K78 CarbonylContact O-C 3.51Å; D75-K78 PolarHBondContact O-N 3.12Å; D75-K78 PolarHBondContact OD1-N 3.12Å; D75-K78 VanDerWaalsContact OD2-CD 3.23Å; D75-K78 WeakPolarHBondContact OD2-CD 3.33Å; D75-K78 VanDerWaalsContact OD2-CE 3.26Å; D75-K78 WeakPolarHBondContact OD2-CE 3.27Å; D75-K78 WeakPolarHBondContact OD2-CG 3.1Å; D75-K78 IonicContact OD2-NZ 2.87Å; D75-K78 PolarHBondContact OD2-NZ 2.82Å; D75-S79 PolarHBondContact O-N 2.93Å; D75-S79 VanDerWaalsContact O-N 3.12Å; D75-S80 PolarHBondContact N-O 2.93Å; D75-S80 PolarHBondContact O-N 2.84Å; D75-S80 VanDerWaalsContact O-N 3.12Å; D75-Y82 HydrophobicContact CB-CE2 3.95Å
76D97.4Very high98Very high43 Ų4340.9 Ų40.923%0.2323%0.232CC..G310 helixtrans-66.2-26.3-178.4-69-25.2000112.2F29 Y58 R74 K78 S79F29-D76 HydrophobicContact CD1-CB 4.43Å; F29-D76 WeakPolarHBondContact CD1-OD1 3.27Å; F29-D76 WeakPolarHBondContact CE1-OD1 3.45Å; Y58-D76 WeakPolarHBondContact CE1-OD2 3.29Å; Y58-D76 PolarHBondContact OH-OD2 2.62Å; R74-D76 IonicContact CZ-OD1 3.23Å; R74-D76 VanDerWaalsContact CZ-OD1 3.23Å; R74-D76 IonicContact NE-OD1 2.78Å; R74-D76 PolarHBondContact NE-OD1 2.93Å; R74-D76 IonicContact NH2-OD1 2.86Å; R74-D76 PolarHBondContact NH2-OD1 3.35Å; D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 2.92Å; D76-S79 PolarHBondContact O-N 3.33Å
77S96.8Very high98Very high105 Ų10548.1 Ų48.173%0.73426%0.26SS*.G310 helixtrans-72.2-23.4177.475.90000112.7D75D75-S77 PolarHBondContact O-N 3.49Å; D75-S77 WeakPolarHBondContact OD1-CB 3.47Å; D75-S77 PolarHBondContact OD1-N 2.88Å; D75-S77 PolarHBondContact OD1-OG 3.12Å
78K97.5Very high98Very high123 Ų12342.8 Ų42.854%0.53524%0.237SC..G310 helixtrans-107.85179.4-61.2-176.1-169.6124.50113.2D75 D76 S80D75-K78 HydrophobicContact CB-CB 4.26Å; D75-K78 CarbonylContact O-C 3.51Å; D75-K78 PolarHBondContact O-N 3.12Å; D75-K78 PolarHBondContact OD1-N 3.12Å; D75-K78 VanDerWaalsContact OD2-CD 3.23Å; D75-K78 WeakPolarHBondContact OD2-CD 3.33Å; D75-K78 VanDerWaalsContact OD2-CE 3.26Å; D75-K78 WeakPolarHBondContact OD2-CE 3.27Å; D75-K78 WeakPolarHBondContact OD2-CG 3.1Å; D75-K78 IonicContact OD2-NZ 2.87Å; D75-K78 PolarHBondContact OD2-NZ 2.82Å; D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 2.92Å; K78-S80 PolarHBondContact O-N 2.84Å; K78-S80 VanDerWaalsContact O-N 3.12Å; K78-S80 PolarHBondContact O-OG 2.01Å
79S98.1Very high97.9Very high42 Ų4246 Ų4629%0.29423%0.23SC..THydrogen-bonded Turntrans47.341.2-173.6-59.80000112.8T24 D75 D76T24-S79 PolarHBondContact N-O 2.87Å; T24-S79 WeakPolarHBondContact O-CB 3.45Å; T24-S79 PolarHBondContact OG1-O 2.83Å; D75-S79 PolarHBondContact O-N 2.93Å; D75-S79 VanDerWaalsContact O-N 3.12Å; D76-S79 PolarHBondContact O-N 3.33Å
80S98.5Very high97.8Very high5 Ų553.3 Ų53.34%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-127.4140.2-167.8-67.10000112.4C22 F29 R74 D75 K78C22-S80 VanDerWaalsContact O-CA 3.3Å; C22-S80 WeakPolarHBondContact O-CA 3.48Å; F29-S80 WeakPolarHBondContact CZ-O 3.47Å; R74-S80 WeakPolarHBondContact CA-O 3.33Å; D75-S80 PolarHBondContact N-O 2.93Å; D75-S80 PolarHBondContact O-N 2.84Å; D75-S80 VanDerWaalsContact O-N 3.12Å; K78-S80 PolarHBondContact O-N 2.84Å; K78-S80 VanDerWaalsContact O-N 3.12Å; K78-S80 PolarHBondContact O-OG 2.01Å
81V98.7Very high97.6Very high0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-116.4143.117065.90000109.7S21 C22 F29 M34 W36 I51 I72 S73 C98S21-V81 CarbonylContact C-O 3.46Å; S21-V81 WeakPolarHBondContact CA-O 3.18Å; C22-V81 HydrophobicContact CB-CG1 3.63Å; C22-V81 PolarHBondContact N-O 2.8Å; C22-V81 PolarHBondContact O-N 3.21Å; F29-V81 HydrophobicContact CZ-CB 4.44Å; M34-V81 HydrophobicContact CB-CB 4.05Å; M34-V81 HydrophobicContact CB-CG1 4.23Å; M34-V81 HydrophobicContact CB-CG2 3.87Å; M34-V81 HydrophobicContact CE-CG1 4.12Å; M34-V81 HydrophobicContact CG-CB 4.32Å; W36-V81 HydrophobicContact CZ2-CG1 4.28Å; I51-V81 HydrophobicContact CG2-CG2 3.99Å; I72-V81 HydrophobicContact CD1-CG2 3.93Å; I72-V81 HydrophobicContact CG1-CG2 3.83Å; S73-V81 CarbonylContact O-C 3.51Å; S73-V81 WeakPolarHBondContact O-CA 3.41Å; S73-V81 VanDerWaalsContact O-CG2 3.29Å; S73-V81 WeakPolarHBondContact O-CG2 3.13Å; V81-C98 HydrophobicContact CG1-CB 4.25Å
82Y98.7Very high97.6Very high43 Ų4356.6 Ų56.617%0.16927%0.274CS..EExtended strand (participates in β ladder)trans-123.2146.5-177.8-54.3-83.7000110.5L20 I72 S73 D75L20-Y82 VanDerWaalsContact O-CA 3.27Å; L20-Y82 WeakPolarHBondContact O-CA 3.1Å; I72-Y82 WeakPolarHBondContact CA-O 3.45Å; I72-Y82 WeakPolarHBondContact CG1-O 3.46Å; S73-Y82 PolarHBondContact N-O 2.86Å; S73-Y82 PolarHBondContact O-N 2.91Å; D75-Y82 HydrophobicContact CB-CE2 3.95Å
83L98.8Very high97.5Very high0 Ų060.4 Ų60.40%030%0.298CS..EExtended strand (participates in β ladder)trans-123.6108.4170.4-172.270.3000108.6K19 L20 W36 I48 A49 F70 I72 M85 Y96K19-L83 WeakPolarHBondContact CA-O 3.49Å; L20-L83 HydrophobicContact CB-CB 4.28Å; L20-L83 HydrophobicContact CD1-CD2 4.37Å; L20-L83 PolarHBondContact N-O 3.43Å; L20-L83 PolarHBondContact O-N 3.25Å; W36-L83 HydrophobicContact CB-CD2 4.27Å; W36-L83 HydrophobicContact CD2-CB 4.05Å; W36-L83 HydrophobicContact CD2-CD2 4.18Å; W36-L83 HydrophobicContact CE3-CD2 4.5Å; W36-L83 HydrophobicContact CG-CB 4.16Å; W36-L83 HydrophobicContact CG-CD1 4.32Å; W36-L83 HydrophobicContact CG-CD2 4.08Å; W36-L83 HydrophobicContact CG-CG 4.43Å; W36-L83 HydrophobicContact CZ2-CB 4.23Å; I48-L83 HydrophobicContact CD1-CD2 3.71Å; A49-L83 HydrophobicContact CB-CD1 4.26Å; F70-L83 HydrophobicContact CB-CD1 4.23Å; F70-L83 HydrophobicContact CD2-CD1 4.38Å; F70-L83 HydrophobicContact CD2-CD2 4.14Å; F70-L83 HydrophobicContact CD2-CG 4.42Å; I72-L83 HydrophobicContact CB-CD1 4.35Å; L83-M85 HydrophobicContact CD2-CG 3.89Å; L83-M85 HydrophobicContact CD2-SD 4.11Å; L83-M85 HydrophobicContact CG-CG 3.85Å; L83-Y96 HydrophobicContact CD2-CD1 4.06Å; L83-Y96 HydrophobicContact CD2-CE1 4.22Å
84E98.5Very high97.4Very high73 Ų7359.5 Ų59.534%0.34129%0.294SS..EExtended strand (participates in β ladder)trans-86.9117.9171.8-67-179.5-165.800108.3K19 F70 A71K19-E84 HydrophobicContact CD-CG 3.98Å; K19-E84 HydrophobicContact CG-CG 4.05Å; K19-E84 IonicContact NZ-OE1 3.13Å; K19-E84 PolarHBondContact NZ-OE1 2.92Å; F70-E84 CarbonylContact C-O 3.57Å; F70-E84 WeakPolarHBondContact CA-O 3.41Å; A71-E84 HydrophobicContact CB-CB 4.35Å; A71-E84 PolarHBondContact N-O 2.88Å; A71-E84 PolarHBondContact O-N 3.41Å
85M98.1Very high97.4Very high3 Ų362 Ų622%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-112.1104.6-172.7-57.616868.300108.2S17 L18 L20 F70 L83 L88 Y96S17-M85 CarbonylContact C-O 3.57Å; S17-M85 WeakPolarHBondContact CA-O 3.32Å; S17-M85 WeakPolarHBondContact CB-O 3.24Å; L18-M85 HydrophobicContact CD2-SD 4.44Å; L18-M85 PolarHBondContact N-O 2.9Å; L18-M85 WeakPolarHBondContact O-CB 3.41Å; L18-M85 PolarHBondContact O-N 2.79Å; L20-M85 HydrophobicContact CD1-SD 3.65Å; L20-M85 HydrophobicContact CD2-SD 4.47Å; L20-M85 HydrophobicContact CG-SD 3.7Å; F70-M85 HydrophobicContact CD1-CB 3.89Å; F70-M85 HydrophobicContact CD1-CG 4.23Å; F70-M85 HydrophobicContact CD2-CG 4.1Å; F70-M85 HydrophobicContact CE1-CB 3.75Å; F70-M85 HydrophobicContact CE1-CE 4.36Å; F70-M85 HydrophobicContact CE1-CG 4.19Å; F70-M85 HydrophobicContact CE2-CB 4.48Å; F70-M85 HydrophobicContact CE2-CE 3.77Å; F70-M85 HydrophobicContact CE2-CG 4.03Å; F70-M85 HydrophobicContact CG-CB 4.36Å; F70-M85 HydrophobicContact CG-CG 4.22Å; F70-M85 HydrophobicContact CZ-CB 4.08Å; F70-M85 HydrophobicContact CZ-CE 3.58Å; F70-M85 HydrophobicContact CZ-CG 4.1Å; L83-M85 HydrophobicContact CD2-CG 3.89Å; L83-M85 HydrophobicContact CD2-SD 4.11Å; L83-M85 HydrophobicContact CG-CG 3.85Å; M85-L88 HydrophobicContact CB-CD1 4.3Å; M85-L88 HydrophobicContact CB-CD2 4Å; M85-L88 HydrophobicContact CB-CG 4.27Å; M85-L88 HydrophobicContact CE-CD2 3.63Å; M85-Y96 HydrophobicContact CE-CD1 4.37Å; M85-Y96 HydrophobicContact CE-CE1 3.54Å; M85-Y96 HydrophobicContact CE-CE2 3.81Å; M85-Y96 WeakPolarHBondContact CE-OH 3.45Å; M85-Y96 HydrophobicContact SD-CE1 4.26Å
86N97.6Very high97.4Very high59 Ų5961.6 Ų61.632%0.31631%0.308SS..  trans-104.2153.2-178-55.2-70.6000112.2S17 R69 L88S17-N86 WeakPolarHBondContact OG-CA 3.02Å; S17-N86 PolarHBondContact OG-OD1 3.06Å; R69-N86 WeakPolarHBondContact CB-O 3.39Å; R69-N86 VanDerWaalsContact O-CB 3.24Å; R69-N86 WeakPolarHBondContact O-CB 3.34Å; R69-N86 PolarHBondContact O-N 3.23Å; R69-N86 PolarHBondContact O-ND2 3.33Å; N86-L88 VanDerWaalsContact C-N 3.32Å; N86-L88 PolarHBondContact O-N 3.08Å
87R96.6Very high97.5Very high153 Ų15363 Ų6358%0.57731%0.312SS*.SBendtrans52.553.6176.5-58.1179-71-179.3-2.9110.6N16 G68 R69N16-R87 PolarHBondContact O-N 3.11Å; G68-R87 PolarHBondContact O-NH2 3.28Å; R69-R87 PolarHBondContact NH1-O 3.3Å
88L97.4Very high97.6Very high12 Ų1258.5 Ų58.56%0.06328%0.281CS..  trans-61.7142.4-176-80.8166.2000111.6V12 P14 G15 N16 L18 F70 M85 N86 D92V12-L88 HydrophobicContact CG2-CD1 3.56Å; P14-L88 CarbonylContact C-O 3.55Å; P14-L88 WeakPolarHBondContact CA-O 3.37Å; G15-L88 PolarHBondContact N-O 3.19Å; N16-L88 WeakPolarHBondContact O-CB 3.46Å; N16-L88 PolarHBondContact O-N 2.73Å; L18-L88 HydrophobicContact CB-CD1 3.74Å; F70-L88 HydrophobicContact CE1-CD2 3.92Å; F70-L88 HydrophobicContact CZ-CD2 3.93Å; M85-L88 HydrophobicContact CB-CD1 4.3Å; M85-L88 HydrophobicContact CB-CD2 4Å; M85-L88 HydrophobicContact CB-CG 4.27Å; M85-L88 HydrophobicContact CE-CD2 3.63Å; N86-L88 VanDerWaalsContact C-N 3.32Å; N86-L88 PolarHBondContact O-N 3.08Å; L88-D92 HydrophobicContact CD2-CB 3.57Å
89R96.5Very high97.6Very high127 Ų12754.6 Ų54.648%0.47927%0.269SS..  trans-118.3162.8178.2-63.4170.3-177.8176.6-1.9109E91 D92R89-E91 HydrophobicContact CB-CG 3.69Å; R89-E91 WeakPolarHBondContact CD-OE1 3.34Å; R89-E91 IonicContact CZ-OE1 3.8Å; R89-E91 IonicContact NE-OE1 3.9Å; R89-E91 IonicContact NH1-OE1 2.75Å; R89-E91 PolarHBondContact NH1-OE1 3.01Å; R89-E91 PolarHBondContact O-N 2.79Å; R89-D92 PolarHBondContact N-OD2 3.01Å; R89-D92 WeakPolarHBondContact O-CB 3.2Å; R89-D92 PolarHBondContact O-N 3.22Å
90E94.9Very high97.4Very high168 Ų16857.3 Ų57.379%0.78527%0.273SS*.G310 helixtrans-56.4-37.7176.2-171.3177.9170.400112D92 T93E90-D92 PolarHBondContact O-N 3.16Å; E90-D92 VanDerWaalsContact O-N 3.12Å; E90-T93 VanDerWaalsContact O-CB 3.28Å; E90-T93 WeakPolarHBondContact O-CB 3.41Å; E90-T93 PolarHBondContact O-N 3.09Å; E90-T93 PolarHBondContact O-OG1 3.43Å
91E94.6Very high97.3Very high108 Ų10860 Ų6051%0.50528%0.284SS..G310 helixtrans-61-15.617568.4-167.5-159.100114.7R89 T93R89-E91 HydrophobicContact CB-CG 3.69Å; R89-E91 WeakPolarHBondContact CD-OE1 3.34Å; R89-E91 IonicContact CZ-OE1 3.8Å; R89-E91 IonicContact NE-OE1 3.9Å; R89-E91 IonicContact NH1-OE1 2.75Å; R89-E91 PolarHBondContact NH1-OE1 3.01Å; R89-E91 PolarHBondContact O-N 2.79Å; E91-T93 VanDerWaalsContact C-N 3.31Å
92D97Very high97.3Very high5 Ų563.1 Ų63.13%0.02730%0.299CS..G310 helixtrans-86.8-1.5175.9-58.5-49000112.7R38 R69 F70 L88 R89 E90 A94 Y96R38-D92 IonicContact CZ-OD1 2.62Å; R38-D92 IonicContact NH1-OD1 2.78Å; R38-D92 PolarHBondContact NH1-OD1 2.93Å; R69-D92 IonicContact CZ-OD1 3.67Å; R69-D92 IonicContact CZ-OD2 3.46Å; R69-D92 IonicContact NH1-OD1 3.57Å; R69-D92 IonicContact NH1-OD2 2.68Å; R69-D92 PolarHBondContact NH1-OD2 3.25Å; R69-D92 IonicContact NH2-OD1 2.83Å; R69-D92 PolarHBondContact NH2-OD1 3.39Å; R69-D92 IonicContact NH2-OD2 3.4Å; R69-D92 PolarHBondContact NH2-OD2 3.12Å; F70-D92 HydrophobicContact CZ-CB 4.19Å; L88-D92 HydrophobicContact CD2-CB 3.57Å; R89-D92 PolarHBondContact N-OD2 3.01Å; R89-D92 WeakPolarHBondContact O-CB 3.2Å; R89-D92 PolarHBondContact O-N 3.22Å; E90-D92 PolarHBondContact O-N 3.16Å; E90-D92 VanDerWaalsContact O-N 3.12Å; D92-A94 PolarHBondContact O-N 3.18Å; D92-A94 VanDerWaalsContact O-N 3.16Å; D92-Y96 WeakPolarHBondContact O-CE2 3.5Å; D92-Y96 PolarHBondContact O-OH 3.17Å
93T97Very high97.2Very high91 Ų9164.2 Ų64.256%0.55831%0.307SS*.  trans-67.6111.5173.8-53.80000109.7P41 E90 E91P41-T93 VanDerWaalsContact CD-O 3.28Å; P41-T93 WeakPolarHBondContact CD-O 3.41Å; E90-T93 VanDerWaalsContact O-CB 3.28Å; E90-T93 WeakPolarHBondContact O-CB 3.41Å; E90-T93 PolarHBondContact O-N 3.09Å; E90-T93 PolarHBondContact O-OG1 3.43Å; E91-T93 VanDerWaalsContact C-N 3.31Å
94A97.8Very high97.1Very high24 Ų2468 Ų6820%0.19833%0.325CS..SBendtrans-162.7164.4-175.800000110.7R38 Q39 P40 D92 Y96R38-A94 HydrophobicContact CB-CB 3.82Å; R38-A94 HydrophobicContact CG-CB 4.17Å; Q39-A94 WeakPolarHBondContact O-CA 3.35Å; Q39-A94 WeakPolarHBondContact O-CB 3.5Å; P40-A94 HydrophobicContact CB-CB 4.47Å; P40-A94 HydrophobicContact CG-CB 4.32Å; D92-A94 PolarHBondContact O-N 3.18Å; D92-A94 VanDerWaalsContact O-N 3.16Å; A94-Y96 HydrophobicContact CB-CD2 4.31Å; A94-Y96 HydrophobicContact CB-CE2 3.78Å; A94-Y96 VanDerWaalsContact O-CD2 3.23Å; A94-Y96 WeakPolarHBondContact O-CD2 3.4Å; A94-Y96 WeakPolarHBondContact O-CE2 3.49Å
95T97.9Very high97Very high81 Ų8167.7 Ų67.750%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-79.7134159.3-52.10000108.5R38 Q39 F97R38-T95 CarbonylContact C-O 3.6Å; R38-T95 VanDerWaalsContact CA-O 3.22Å; R38-T95 WeakPolarHBondContact CA-O 3.3Å; Q39-T95 PolarHBondContact N-O 2.84Å; Q39-T95 PolarHBondContact O-N 3.06Å; T95-F97 HydrophobicContact CG2-CD2 4.43Å; T95-F97 HydrophobicContact CG2-CE1 3.79Å; T95-F97 HydrophobicContact CG2-CE2 3.64Å; T95-F97 HydrophobicContact CG2-CZ 3.28Å
96Y98.3Very high96.9Very high28 Ų2872 Ų7211%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-110.2136.3-178-73.9-101.4000110L20 L37 R38 I48 F70 L83 M85 D92 A94L20-Y96 VanDerWaalsContact CD1-CB 3.44Å; L20-Y96 HydrophobicContact CD1-CD1 3.78Å; L20-Y96 HydrophobicContact CD1-CD2 4.09Å; L20-Y96 HydrophobicContact CD1-CG 3.49Å; L20-Y96 VanDerWaalsContact CD1-CG 3.49Å; L37-Y96 WeakPolarHBondContact O-CA 3.37Å; R38-Y96 HydrophobicContact CB-CD1 3.78Å; R38-Y96 HydrophobicContact CB-CE1 3.67Å; R38-Y96 HydrophobicContact CB-CE2 4.42Å; R38-Y96 HydrophobicContact CB-CG 4.2Å; R38-Y96 HydrophobicContact CG-CE1 4.38Å; I48-Y96 HydrophobicContact CD1-CD1 3.77Å; I48-Y96 HydrophobicContact CD1-CE1 3.55Å; F70-Y96 HydrophobicContact CE2-CE1 4.25Å; L83-Y96 HydrophobicContact CD2-CD1 4.06Å; L83-Y96 HydrophobicContact CD2-CE1 4.22Å; M85-Y96 HydrophobicContact CE-CD1 4.37Å; M85-Y96 HydrophobicContact CE-CE1 3.54Å; M85-Y96 HydrophobicContact CE-CE2 3.81Å; M85-Y96 WeakPolarHBondContact CE-OH 3.45Å; M85-Y96 HydrophobicContact SD-CE1 4.26Å; D92-Y96 WeakPolarHBondContact O-CE2 3.5Å; D92-Y96 PolarHBondContact O-OH 3.17Å; A94-Y96 HydrophobicContact CB-CD2 4.31Å; A94-Y96 HydrophobicContact CB-CE2 3.78Å; A94-Y96 VanDerWaalsContact O-CD2 3.23Å; A94-Y96 WeakPolarHBondContact O-CD2 3.4Å; A94-Y96 WeakPolarHBondContact O-CE2 3.49Å
97F98.4Very high96.9Very high74 Ų7472.9 Ų72.933%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-129.8138.5-177.5-55.5-83.4000109.6E6 W36 L37 Q39 L45 T95E6-F97 WeakPolarHBondContact OE1-CA 3.42Å; W36-F97 WeakPolarHBondContact CA-O 3.39Å; L37-F97 PolarHBondContact N-O 2.81Å; L37-F97 PolarHBondContact O-N 2.96Å; Q39-F97 HydrophobicContact CB-CE2 3.97Å; L45-F97 HydrophobicContact CD1-CD2 3.72Å; L45-F97 HydrophobicContact CD1-CE2 4.08Å; T95-F97 HydrophobicContact CG2-CD2 4.43Å; T95-F97 HydrophobicContact CG2-CE1 3.79Å; T95-F97 HydrophobicContact CG2-CE2 3.64Å; T95-F97 HydrophobicContact CG2-CZ 3.28Å
98C98.2Very high96.9Very high10 Ų1066.8 Ų66.87%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-94.3149.9165.258.80000110.2L4 E6 C22 H35 W36 V81L4-C98 HydrophobicContact CD2-CB 4.42Å; L4-C98 WeakPolarHBondContact CD2-O 3.27Å; E6-C98 VanDerWaalsContact CD-SG 3.58Å; E6-C98 HydrophobicContact CG-CB 4.41Å; E6-C98 PolarHBondContact OE1-N 3.03Å; E6-C98 PolarHBondContact OE1-SG 2.95Å; C22-C98 HydrophobicContact CB-CB 3.4Å; C22-C98 VanDerWaalsContact CB-CB 3.4Å; C22-C98 WeakPolarHBondContact CB-SG 3.33Å; C22-C98 WeakPolarHBondContact SG-CB 3.46Å; C22-C98 CovalentContact SG-SG 2.01Å; C22-C98 PolarHBondContact SG-SG 2.81Å; H35-C98 CarbonylContact O-C 3.6Å; H35-C98 VanDerWaalsContact O-CA 3.27Å; H35-C98 WeakPolarHBondContact O-CA 3.23Å; W36-C98 HydrophobicContact CD2-CB 4.34Å; W36-C98 HydrophobicContact CE3-CB 4.29Å; W36-C98 HydrophobicContact CH2-CB 4.27Å; W36-C98 HydrophobicContact CZ2-CB 4.32Å; W36-C98 HydrophobicContact CZ3-CB 4.25Å; V81-C98 HydrophobicContact CG1-CB 4.25Å
99S97.8Very high96.9Very high40 Ų4071.3 Ų71.328%0.2835%0.351SS..EExtended strand (participates in β ladder)trans-140.5160.517082.90000110.5M34 H35 L37M34-S99 WeakPolarHBondContact CA-O 3.45Å; M34-S99 WeakPolarHBondContact CE-O 3.38Å; H35-S99 WeakPolarHBondContact CB-OG 3.42Å; H35-S99 PolarHBondContact N-O 3.02Å; H35-S99 PolarHBondContact O-N 3.49Å; L37-S99 WeakPolarHBondContact CD1-OG 3.37Å
100R94.1Very high96.9Very high100 Ų10066.3 Ų66.338%0.37734%0.339SS..  trans-101.30166.495172121.9158.73.7110.7F27 Y32 R33 M34F27-R100 HydrophobicContact CE2-CB 4.43Å; F27-R100 VanDerWaalsContact CG-NH1 3.28Å; F27-R100 HydrophobicContact CZ-CB 4.4Å; Y32-R100 HydrophobicContact CD1-CG 3.94Å; Y32-R100 HydrophobicContact CG-CB 4.41Å; Y32-R100 VanDerWaalsContact CG-CD 3.41Å; Y32-R100 HydrophobicContact CG-CG 4.17Å; Y32-R100 PolarHBondContact OH-NH1 3.33Å; R33-R100 WeakPolarHBondContact O-CA 3.19Å; M34-R100 HydrophobicContact CE-CB 4.35Å; M34-R100 HydrophobicContact SD-CB 3.82Å

Retrieved 100 of 100 residues in 296.5 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).