A0A5K4FAZ6_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4FAZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 61 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
1M68.9Low71.5Confident165 Ų16577.5 Ų77.581%0.81342%0.421SS*.  0146.60-175.4-176.5-60.900108.1F61M1-F61 HydrophobicContact CB-CB 4.32Å; M1-F61 HydrophobicContact CB-CD2 4.22Å; M1-F61 PolarHBondContact N-O 3.41Å; M1-F61 WeakPolarHBondContact O-CD2 3.45Å; M1-F61 PolarHBondContact O-N 2.67Å
2T70.8Confident70.8Confident78 Ų7881.4 Ų81.448%0.47944%0.441SS..EExtended strand (participates in β ladder)trans-118.7130.1178.1-52.80000109.9E4 I58 A59 Q60T2-E4 HydrophobicContact CG2-CG 4.21Å; T2-I58 HydrophobicContact CG2-CG2 3.61Å; T2-A59 CarbonylContact C-O 3.57Å; T2-A59 VanDerWaalsContact CA-O 3.31Å; T2-A59 WeakPolarHBondContact CA-O 3.33Å; T2-Q60 HydrophobicContact CG2-CG 4.22Å
3V71.1Confident69.7Low55 Ų5579.4 Ų79.433%0.33343%0.433SS..EExtended strand (participates in β ladder)trans-112.8124.9170.4172.40000108.1A59 F61V3-A59 HydrophobicContact CB-CB 4.26Å; V3-A59 PolarHBondContact N-O 3.29Å; V3-A59 PolarHBondContact O-N 3.3Å; V3-F61 HydrophobicContact CB-CE2 4.21Å; V3-F61 HydrophobicContact CG2-CE2 3.75Å
4E72.9Confident68.5Low102 Ų10276.6 Ų76.648%0.47742%0.417SS..EExtended strand (participates in β ladder)trans-110.8120.8174.9-63-167.113600109.4T2 R44 L57 I58T2-E4 HydrophobicContact CG2-CG 4.21Å; E4-R44 IonicContact OE1-CZ 2.89Å; E4-R44 IonicContact OE1-NH2 3.99Å; E4-R44 PolarHBondContact OE1-NH2 2.87Å; E4-L57 CarbonylContact C-O 3.57Å; E4-L57 WeakPolarHBondContact CA-O 3.26Å; E4-I58 HydrophobicContact CG-CG1 4.16Å; E4-I58 HydrophobicContact CG-CG2 4.27Å
5L72.9Confident67.8Low62 Ų6278.1 Ų78.133%0.32544%0.435SS..EExtended strand (participates in β ladder)trans-107.8106169.9-171.6117.7000108.6Y7 F25 C56 L57L5-Y7 HydrophobicContact CD2-CD1 4.4Å; L5-F25 HydrophobicContact CD2-CE1 3.95Å; L5-F25 HydrophobicContact CD2-CE2 4.15Å; L5-F25 HydrophobicContact CD2-CZ 3.64Å; L5-C56 WeakPolarHBondContact O-CA 3.42Å; L5-L57 HydrophobicContact CB-CB 4.34Å; L5-L57 HydrophobicContact CD2-CD1 3.99Å; L5-L57 PolarHBondContact N-O 3.49Å; L5-L57 PolarHBondContact O-N 2.99Å
6C71.6Confident66.7Low73 Ų7382.6 Ų82.649%0.49345%0.451SS..EExtended strand (participates in β ladder)trans-102.1135.1-179-570000110.8W55 C56C6-W55 CarbonylContact C-O 3.52Å; C6-W55 VanDerWaalsContact CA-O 3.23Å; C6-W55 WeakPolarHBondContact CA-O 3.45Å; C6-C56 HydrophobicContact CB-CB 4.19Å; C6-C56 WeakPolarHBondContact CB-SG 3.39Å; C6-C56 WeakPolarHBondContact SG-CB 3.48Å; C6-C56 CovalentContact SG-SG 2.05Å; C6-C56 PolarHBondContact SG-SG 2.98Å
7Y71.1Confident65.9Low74 Ų7483.9 Ų83.929%0.2945%0.449SS..EExtended strand (participates in β ladder)trans-139.5149.1179.364.5-85.2000110.5L5 T9 W55 L57L5-Y7 HydrophobicContact CD2-CD1 4.4Å; Y7-T9 HydrophobicContact CD2-CG2 4.35Å; Y7-T9 HydrophobicContact CE2-CG2 4.04Å; Y7-W55 HydrophobicContact CD1-CB 4.43Å; Y7-W55 HydrophobicContact CE1-CB 3.89Å; Y7-W55 HydrophobicContact CE2-CB 4.06Å; Y7-W55 HydrophobicContact CE2-CG 4.49Å; Y7-W55 PolarHBondContact N-O 2.79Å; Y7-W55 PolarHBondContact O-N 3.08Å; Y7-L57 HydrophobicContact CE1-CD1 3.94Å; Y7-L57 HydrophobicContact CE1-CG 4.01Å
8S72.9Confident65.1Low79 Ų7983.6 Ų83.655%0.55245%0.452SS*.EExtended strand (participates in β ladder)trans-102.4138.8171.6-49.50000108E53 H54S8-E53 WeakPolarHBondContact CA-O 3.15Å; S8-H54 PolarHBondContact OG-CE1 2.71Å; S8-H54 VanDerWaalsContact OG-CE1 3.23Å; S8-H54 PolarHBondContact OG-ND1 3.25Å
9T72Confident64.6Low19 Ų1990.4 Ų90.412%0.11748%0.477CS..EExtended strand (participates in β ladder)trans-143.5154.3179.4-170.90000110.5Y7 V13 I14 E52 E53Y7-T9 HydrophobicContact CD2-CG2 4.35Å; Y7-T9 HydrophobicContact CE2-CG2 4.04Å; T9-V13 VanDerWaalsContact OG1-CB 3.26Å; T9-V13 WeakPolarHBondContact OG1-CB 3.41Å; T9-V13 VanDerWaalsContact OG1-CG1 3.28Å; T9-V13 WeakPolarHBondContact OG1-CG1 3.16Å; T9-I14 HydrophobicContact CG2-CD1 3.23Å; T9-I14 HydrophobicContact CG2-CG1 3.55Å; T9-E52 CarbonylContact O-C 3.55Å; T9-E52 WeakPolarHBondContact O-CA 3.46Å; T9-E53 PolarHBondContact N-O 3.47Å; T9-E53 PolarHBondContact O-N 3.05Å
10T74.7Confident63.9Low67 Ų6793.1 Ų93.141%0.41149%0.492SS..EExtended strand (participates in β ladder)trans-76.9148.417354.50000109.4D12 V13 T51T10-D12 PolarHBondContact O-N 2.81Å; T10-V13 WeakPolarHBondContact O-CB 3.31Å; T10-V13 PolarHBondContact O-N 3.1Å; T10-V13 WeakPolarHBondContact OG1-CG2 3.26Å; T10-T51 WeakPolarHBondContact CA-O 3.49Å
11K67.7Low63.5Low79 Ų7992.9 Ų92.934%0.34349%0.487SS..Hα-helixtrans-55-29.5-177.8-77.6-176.8-179164.90114V13 I14 S48 S49 W50 T51 E53K11-V13 PolarHBondContact O-N 3.45Å; K11-I14 PolarHBondContact O-N 2.89Å; K11-S48 WeakPolarHBondContact CE-OG 3.39Å; K11-S49 WeakPolarHBondContact CE-O 3.41Å; K11-S49 PolarHBondContact NZ-O 2.83Å; K11-W50 WeakPolarHBondContact CD-O 3.15Å; K11-W50 WeakPolarHBondContact CE-O 3.41Å; K11-W50 PolarHBondContact NZ-O 3.27Å; K11-W50 VanDerWaalsContact NZ-O 3.08Å; K11-T51 PolarHBondContact N-O 2.89Å; K11-E53 HydrophobicContact CG-CG 3.66Å
12D63.2Low62.7Low124 Ų12496.4 Ų96.466%0.66349%0.492SS*.Hα-helixtrans-65.3-24.8179.7-59.7-39.1000113T10 S15 H16T10-D12 PolarHBondContact O-N 2.81Å; D12-S15 PolarHBondContact O-OG 2.98Å; D12-H16 PolarHBondContact O-CE1 3.1Å; D12-H16 PolarHBondContact O-ND1 2.82Å
13V56.1Low62.1Low55 Ų5596 Ų9633%0.33348%0.483SS..Hα-helixtrans-82.5-31.1-175.4171.40000111.6T9 T10 K11 H16 Y17T9-V13 VanDerWaalsContact OG1-CB 3.26Å; T9-V13 WeakPolarHBondContact OG1-CB 3.41Å; T9-V13 VanDerWaalsContact OG1-CG1 3.28Å; T9-V13 WeakPolarHBondContact OG1-CG1 3.16Å; T10-V13 WeakPolarHBondContact O-CB 3.31Å; T10-V13 PolarHBondContact O-N 3.1Å; T10-V13 WeakPolarHBondContact OG1-CG2 3.26Å; K11-V13 PolarHBondContact O-N 3.45Å; V13-H16 PolarHBondContact O-N 3.22Å; V13-Y17 HydrophobicContact CG1-CD2 4.28Å; V13-Y17 HydrophobicContact CG1-CE2 3.56Å; V13-Y17 WeakPolarHBondContact O-CD2 3.3Å; V13-Y17 WeakPolarHBondContact O-CE2 3.37Å
14I53.1Low61.2Low41 Ų41103.1 Ų103.121%0.2151%0.51CS..Hα-helixtrans-77.5-31.8-177.2-69.4163000113.1T9 K11 H16 Y17 E53 W55T9-I14 HydrophobicContact CG2-CD1 3.23Å; T9-I14 HydrophobicContact CG2-CG1 3.55Å; K11-I14 PolarHBondContact O-N 2.89Å; I14-H16 PolarHBondContact O-N 3.13Å; I14-Y17 PolarHBondContact O-N 2.82Å; I14-E53 HydrophobicContact CD1-CB 4.04Å; I14-E53 HydrophobicContact CD1-CG 4.4Å; I14-E53 WeakPolarHBondContact CD1-OE2 3.03Å; I14-W55 HydrophobicContact CD1-CD2 4.5Å; I14-W55 HydrophobicContact CD1-CG 4.49Å; I14-W55 HydrophobicContact CD1-CZ2 3.97Å
15S57.5Low60.4Low98 Ų98102.7 Ų102.769%0.68551%0.506SS*.THydrogen-bonded Turntrans-58.6-22.8175.772.40000112.5D12D12-S15 PolarHBondContact O-OG 2.98Å
16H51.4Low59.2Low150 Ų150107 Ų10769%0.69453%0.53SS*.THydrogen-bonded Turntrans-85.4-16.1178.4-67.486.9000114.2D12 V13 I14 P18D12-H16 PolarHBondContact O-CE1 3.1Å; D12-H16 PolarHBondContact O-ND1 2.82Å; V13-H16 PolarHBondContact O-N 3.22Å; I14-H16 PolarHBondContact O-N 3.13Å; H16-P18 WeakPolarHBondContact O-CD 3.38Å
17Y52.7Low58.4Low105 Ų105108.4 Ų108.441%0.41253%0.531SS..SBendtrans-91.6115.3177-70.2-72000109.7V13 I14 F21 F23V13-Y17 HydrophobicContact CG1-CD2 4.28Å; V13-Y17 HydrophobicContact CG1-CE2 3.56Å; V13-Y17 WeakPolarHBondContact O-CD2 3.3Å; V13-Y17 WeakPolarHBondContact O-CE2 3.37Å; I14-Y17 PolarHBondContact O-N 2.82Å; Y17-F21 HydrophobicContact CD1-CD1 4.38Å; Y17-F21 AromaticContact CD1-CD2 3.85Å; Y17-F21 HydrophobicContact CD1-CD2 3.85Å; Y17-F21 AromaticContact CD1-CE2 3.98Å; Y17-F21 HydrophobicContact CD1-CE2 3.98Å; Y17-F21 HydrophobicContact CD1-CG 4.03Å; Y17-F21 HydrophobicContact CD1-CZ 4.31Å; Y17-F21 HydrophobicContact CE1-CE2 4.19Å; Y17-F21 HydrophobicContact CE1-CZ 4.23Å; Y17-F23 HydrophobicContact CD1-CE1 4.1Å; Y17-F23 AromaticContact CD1-CZ 3.54Å; Y17-F23 HydrophobicContact CD1-CZ 3.54Å; Y17-F23 AromaticContact CE1-CE1 3.64Å; Y17-F23 HydrophobicContact CE1-CE1 3.64Å; Y17-F23 AromaticContact CE1-CZ 3.54Å; Y17-F23 HydrophobicContact CE1-CZ 3.54Å; Y17-F23 HydrophobicContact CG-CZ 4.14Å
18P51.4Low57.5Low79 Ų79110.3 Ų110.351%0.51355%0.546SS..  trans-58.4148.4177.221.3-30.3000110.7H16 D20 F21H16-P18 WeakPolarHBondContact O-CD 3.38Å; P18-D20 PolarHBondContact O-N 2.83Å; P18-F21 HydrophobicContact CG-CB 4.11Å; P18-F21 HydrophobicContact CG-CD2 4.13Å; P18-F21 WeakPolarHBondContact O-CB 3.1Å; P18-F21 PolarHBondContact O-N 2.83Å; P18-F21 VanDerWaalsContact O-N 3.14Å
19K54.8Low56.8Low212 Ų212111 Ų11192%0.92254%0.544SS*.THydrogen-bonded Turntrans-50.8-28.8178.2-78.2-177.3175.9177.60113
20D52Low56Low144 Ų144118.3 Ų118.377%0.7757%0.574SS**THydrogen-bonded Turntrans-11166.3175.5-54.6-54.7000110.6P18P18-D20 PolarHBondContact O-N 2.83Å
21F55.6Low55.1Low90 Ų90122.7 Ų122.740%0.39559%0.594SS.*  trans-98.7135.9175.8-175.2-79.4000111.7Y17 P18 F23Y17-F21 HydrophobicContact CD1-CD1 4.38Å; Y17-F21 AromaticContact CD1-CD2 3.85Å; Y17-F21 HydrophobicContact CD1-CD2 3.85Å; Y17-F21 AromaticContact CD1-CE2 3.98Å; Y17-F21 HydrophobicContact CD1-CE2 3.98Å; Y17-F21 HydrophobicContact CD1-CG 4.03Å; Y17-F21 HydrophobicContact CD1-CZ 4.31Å; Y17-F21 HydrophobicContact CE1-CE2 4.19Å; Y17-F21 HydrophobicContact CE1-CZ 4.23Å; P18-F21 HydrophobicContact CG-CB 4.11Å; P18-F21 HydrophobicContact CG-CD2 4.13Å; P18-F21 WeakPolarHBondContact O-CB 3.1Å; P18-F21 PolarHBondContact O-N 2.83Å; P18-F21 VanDerWaalsContact O-N 3.14Å; F21-F23 HydrophobicContact CB-CE2 4.4Å; F21-F23 HydrophobicContact CD1-CB 4.45Å; F21-F23 AromaticContact CD1-CD1 3.81Å; F21-F23 HydrophobicContact CD1-CD1 3.81Å; F21-F23 AromaticContact CD1-CD2 3.21Å; F21-F23 HydrophobicContact CD1-CD2 3.21Å; F21-F23 AromaticContact CD1-CE1 3.65Å; F21-F23 HydrophobicContact CD1-CE1 3.65Å; F21-F23 AromaticContact CD1-CE2 3.05Å; F21-F23 HydrophobicContact CD1-CE2 3.05Å; F21-F23 AromaticContact CD1-CG 3.57Å; F21-F23 HydrophobicContact CD1-CG 3.57Å; F21-F23 AromaticContact CD1-CZ 3.27Å; F21-F23 HydrophobicContact CD1-CZ 3.27Å; F21-F23 HydrophobicContact CE1-CB 4.03Å; F21-F23 AromaticContact CE1-CD1 3.11Å; F21-F23 HydrophobicContact CE1-CD1 3.11Å; F21-F23 AromaticContact CE1-CD2 3.45Å; F21-F23 HydrophobicContact CE1-CD2 3.45Å; F21-F23 VanDerWaalsContact CE1-CD2 3.45Å; F21-F23 AromaticContact CE1-CE1 3.13Å; F21-F23 HydrophobicContact CE1-CE1 3.13Å; F21-F23 AromaticContact CE1-CE2 3.49Å; F21-F23 HydrophobicContact CE1-CE2 3.49Å; F21-F23 VanDerWaalsContact CE1-CE2 3.49Å; F21-F23 AromaticContact CE1-CG 3.24Å; F21-F23 HydrophobicContact CE1-CG 3.24Å; F21-F23 AromaticContact CE1-CZ 3.32Å; F21-F23 HydrophobicContact CE1-CZ 3.32Å; F21-F23 HydrophobicContact CG-CD2 4.42Å; F21-F23 AromaticContact CG-CE2 3.96Å; F21-F23 HydrophobicContact CG-CE2 3.96Å; F21-F23 HydrophobicContact CG-CZ 4.06Å; F21-F23 AromaticContact CZ-CD1 3.94Å; F21-F23 HydrophobicContact CZ-CD1 3.94Å; F21-F23 AromaticContact CZ-CE1 3.74Å; F21-F23 HydrophobicContact CZ-CE1 3.74Å; F21-F23 HydrophobicContact CZ-CG 4.41Å; F21-F23 HydrophobicContact CZ-CZ 4.1Å
22W52.2Low54.2Low239 Ų239123.9 Ų123.991%0.90560%0.604SS**  trans-102.7111.3175.1-69.872.1000110.8
23F57.6Low53.9Low69 Ų69126.5 Ų126.530%0.30361%0.612SS.*  trans-91.2128.7170.6-66.2-85.7000110.3Y17 F21 F25Y17-F23 HydrophobicContact CD1-CE1 4.1Å; Y17-F23 AromaticContact CD1-CZ 3.54Å; Y17-F23 HydrophobicContact CD1-CZ 3.54Å; Y17-F23 AromaticContact CE1-CE1 3.64Å; Y17-F23 HydrophobicContact CE1-CE1 3.64Å; Y17-F23 AromaticContact CE1-CZ 3.54Å; Y17-F23 HydrophobicContact CE1-CZ 3.54Å; Y17-F23 HydrophobicContact CG-CZ 4.14Å; F21-F23 HydrophobicContact CB-CE2 4.4Å; F21-F23 HydrophobicContact CD1-CB 4.45Å; F21-F23 AromaticContact CD1-CD1 3.81Å; F21-F23 HydrophobicContact CD1-CD1 3.81Å; F21-F23 AromaticContact CD1-CD2 3.21Å; F21-F23 HydrophobicContact CD1-CD2 3.21Å; F21-F23 AromaticContact CD1-CE1 3.65Å; F21-F23 HydrophobicContact CD1-CE1 3.65Å; F21-F23 AromaticContact CD1-CE2 3.05Å; F21-F23 HydrophobicContact CD1-CE2 3.05Å; F21-F23 AromaticContact CD1-CG 3.57Å; F21-F23 HydrophobicContact CD1-CG 3.57Å; F21-F23 AromaticContact CD1-CZ 3.27Å; F21-F23 HydrophobicContact CD1-CZ 3.27Å; F21-F23 HydrophobicContact CE1-CB 4.03Å; F21-F23 AromaticContact CE1-CD1 3.11Å; F21-F23 HydrophobicContact CE1-CD1 3.11Å; F21-F23 AromaticContact CE1-CD2 3.45Å; F21-F23 HydrophobicContact CE1-CD2 3.45Å; F21-F23 VanDerWaalsContact CE1-CD2 3.45Å; F21-F23 AromaticContact CE1-CE1 3.13Å; F21-F23 HydrophobicContact CE1-CE1 3.13Å; F21-F23 AromaticContact CE1-CE2 3.49Å; F21-F23 HydrophobicContact CE1-CE2 3.49Å; F21-F23 VanDerWaalsContact CE1-CE2 3.49Å; F21-F23 AromaticContact CE1-CG 3.24Å; F21-F23 HydrophobicContact CE1-CG 3.24Å; F21-F23 AromaticContact CE1-CZ 3.32Å; F21-F23 HydrophobicContact CE1-CZ 3.32Å; F21-F23 HydrophobicContact CG-CD2 4.42Å; F21-F23 AromaticContact CG-CE2 3.96Å; F21-F23 HydrophobicContact CG-CE2 3.96Å; F21-F23 HydrophobicContact CG-CZ 4.06Å; F21-F23 AromaticContact CZ-CD1 3.94Å; F21-F23 HydrophobicContact CZ-CD1 3.94Å; F21-F23 AromaticContact CZ-CE1 3.74Å; F21-F23 HydrophobicContact CZ-CE1 3.74Å; F21-F23 HydrophobicContact CZ-CG 4.41Å; F21-F23 HydrophobicContact CZ-CZ 4.1Å; F23-F25 HydrophobicContact CB-CD2 3.98Å; F23-F25 HydrophobicContact CB-CE2 3.49Å; F23-F25 VanDerWaalsContact CB-CE2 3.49Å; F23-F25 HydrophobicContact CB-CZ 4.21Å; F23-F25 HydrophobicContact CD1-CZ 4.47Å; F23-F25 HydrophobicContact CG-CE2 4.07Å; F23-F25 HydrophobicContact CG-CZ 4.41Å
24K52.4Low53.9Low205 Ų205130.2 Ų130.289%0.89163%0.634SS**  trans-98.9103.4165.5-172.5178.5-177.6-179.90108.3
25F55.5Low53.9Low92 Ų92134.2 Ų134.240%0.40466%0.655SS.*  trans-86.2132168.2-70-84.2000109.2L5 F23 I27 W41 L57L5-F25 HydrophobicContact CD2-CE1 3.95Å; L5-F25 HydrophobicContact CD2-CE2 4.15Å; L5-F25 HydrophobicContact CD2-CZ 3.64Å; F23-F25 HydrophobicContact CB-CD2 3.98Å; F23-F25 HydrophobicContact CB-CE2 3.49Å; F23-F25 VanDerWaalsContact CB-CE2 3.49Å; F23-F25 HydrophobicContact CB-CZ 4.21Å; F23-F25 HydrophobicContact CD1-CZ 4.47Å; F23-F25 HydrophobicContact CG-CE2 4.07Å; F23-F25 HydrophobicContact CG-CZ 4.41Å; F25-I27 HydrophobicContact CB-CG1 4.38Å; F25-W41 HydrophobicContact CD2-CZ2 4.29Å; F25-L57 HydrophobicContact CE2-CD1 3.8Å; F25-L57 HydrophobicContact CZ-CD1 4.16Å
26N46.9Very low53.9Low154 Ų154139 Ų13982%0.82466%0.663SS**  trans-9697.8166.1-159.7-25.2000106.5D28N26-D28 PolarHBondContact O-N 2.05Å
27I54.8Low54.1Low102 Ų102134.1 Ų134.152%0.52365%0.646SS.*  trans-83.4102.7173.7-52.1179.2000105.8F25 L29F25-I27 HydrophobicContact CB-CG1 4.38Å; I27-L29 HydrophobicContact CG2-CD1 4.44Å; I27-L29 HydrophobicContact CG2-CD2 3.61Å; I27-L29 HydrophobicContact CG2-CG 3.65Å; I27-L29 PolarHBondContact O-N 3.32Å
28D53.2Low54.5Low113 Ų113137.4 Ų137.460%0.60467%0.67SS**  trans-74.683.8169.2-174.49.3000108.4N26 K30N26-D28 PolarHBondContact O-N 2.05Å; D28-K30 VanDerWaalsContact C-N 3.26Å; D28-K30 PolarHBondContact O-N 2.79Å; D28-K30 VanDerWaalsContact O-N 3.1Å; D28-K30 WeakPolarHBondContact OD1-CG 3.4Å; D28-K30 WeakPolarHBondContact OD2-CE 3.46Å
29L57.6Low55.1Low94 Ų94137 Ų13749%0.49266%0.661SS.*  trans-79.184.5166.9-61.1173.8000106.8I27 D31 L32I27-L29 HydrophobicContact CG2-CD1 4.44Å; I27-L29 HydrophobicContact CG2-CD2 3.61Å; I27-L29 HydrophobicContact CG2-CG 3.65Å; I27-L29 PolarHBondContact O-N 3.32Å; L29-D31 PolarHBondContact O-N 2.84Å; L29-L32 HydrophobicContact CB-CB 3.85Å; L29-L32 HydrophobicContact CD1-CB 3.88Å; L29-L32 HydrophobicContact CD1-CD2 4.44Å; L29-L32 HydrophobicContact CG-CB 4.47Å; L29-L32 PolarHBondContact O-N 3.5Å; L29-L32 VanDerWaalsContact O-N 3.1Å
30K54.6Low55.5Low173 Ų173132.8 Ų132.875%0.75265%0.653SS**THydrogen-bonded Turntrans-50.4-18-177.5-78.7-172.9173.3179.70114.9D28D28-K30 VanDerWaalsContact C-N 3.26Å; D28-K30 PolarHBondContact O-N 2.79Å; D28-K30 VanDerWaalsContact O-N 3.1Å; D28-K30 WeakPolarHBondContact OD1-CG 3.4Å; D28-K30 WeakPolarHBondContact OD2-CE 3.46Å
31D56.2Low56.2Low158 Ų158129.7 Ų129.785%0.84563%0.631SS**THydrogen-bonded Turntrans-128.96.5-179.4-62.6-56.3000115.7L29L29-D31 PolarHBondContact O-N 2.84Å
32L49.9Very low57Low104 Ų104132.5 Ų132.555%0.54564%0.642SS.*SBendtrans-109.7122.9168.8-87.894.2000109.7L29 V34L29-L32 HydrophobicContact CB-CB 3.85Å; L29-L32 HydrophobicContact CD1-CB 3.88Å; L29-L32 HydrophobicContact CD1-CD2 4.44Å; L29-L32 HydrophobicContact CG-CB 4.47Å; L29-L32 PolarHBondContact O-N 3.5Å; L29-L32 VanDerWaalsContact O-N 3.1Å; L32-V34 PolarHBondContact O-N 2.88Å; L32-V34 VanDerWaalsContact O-N 3.13Å
33H56.7Low58Low180 Ų180125 Ų12583%0.83362%0.623SS**  trans-36.8122.8164.2-67.4-76.8000109.9I35H33-I35 WeakPolarHBondContact O-CG1 3.23Å; H33-I35 PolarHBondContact O-N 2.86Å
34V55.3Low58.8Low132 Ų132126.8 Ų126.880%0.863%0.627SS**  trans-52.6100.3-176.9178.60000109.8L32 K36L32-V34 PolarHBondContact O-N 2.88Å; L32-V34 VanDerWaalsContact O-N 3.13Å; V34-K36 HydrophobicContact CG1-CG 4.44Å; V34-K36 PolarHBondContact O-N 2.83Å
35I54.4Low59.9Low126 Ų126124 Ų12465%0.64661%0.611SS**  trans-82100172-59.7176.9000106.5H33 C37H33-I35 WeakPolarHBondContact O-CG1 3.23Å; H33-I35 PolarHBondContact O-N 2.86Å; I35-C37 HydrophobicContact CG2-CB 4.11Å; I35-C37 PolarHBondContact O-N 3Å; I35-C37 PolarHBondContact O-SG 2.91Å
36K57Low60.9Low198 Ų198124 Ų12486%0.86162%0.615SS**  trans-70.1113.3160.8-72.3-173.5-179.5178.10107.4V34V34-K36 HydrophobicContact CG1-CG 4.44Å; V34-K36 PolarHBondContact O-N 2.83Å
37C55.2Low62.4Low48 Ų48119.4 Ų119.432%0.32460%0.595SS.*  trans-129.6138.5174.336.20000108.2I35 F39 F61I35-C37 HydrophobicContact CG2-CB 4.11Å; I35-C37 PolarHBondContact O-N 3Å; I35-C37 PolarHBondContact O-SG 2.91Å; C37-F39 VanDerWaalsContact O-CD1 3.3Å; C37-F39 WeakPolarHBondContact O-CD1 3.31Å; C37-F61 HydrophobicContact CB-CD1 3.84Å; C37-F61 HydrophobicContact CB-CE1 3.73Å; C37-F61 WeakPolarHBondContact SG-CE1 3.43Å
38D61.5Low63.5Low173 Ų173117.2 Ų117.293%0.92559%0.589SS**  trans-84.9129.6166.8-67.2-40.8000107.7
39F63Low64.7Low72 Ų72114.3 Ų114.332%0.31658%0.577SS.*  trans-147.5149.7-179.758.9-82.7000111C37 W41 A59 F61C37-F39 VanDerWaalsContact O-CD1 3.3Å; C37-F39 WeakPolarHBondContact O-CD1 3.31Å; F39-W41 HydrophobicContact CD2-CD2 4.2Å; F39-W41 AromaticContact CD2-CE2 3.97Å; F39-W41 HydrophobicContact CD2-CG 4.44Å; F39-W41 HydrophobicContact CD2-CZ2 4.41Å; F39-W41 AromaticContact CD2-NE1 3.85Å; F39-W41 AromaticContact CE2-CD1 3.93Å; F39-W41 AromaticContact CE2-CD2 3.71Å; F39-W41 HydrophobicContact CE2-CD2 3.71Å; F39-W41 AromaticContact CE2-CE2 3.1Å; F39-W41 HydrophobicContact CE2-CE3 4.27Å; F39-W41 HydrophobicContact CE2-CG 4.28Å; F39-W41 AromaticContact CE2-CH2 3.87Å; F39-W41 HydrophobicContact CE2-CH2 3.87Å; F39-W41 AromaticContact CE2-CZ2 3.23Å; F39-W41 HydrophobicContact CE2-CZ2 3.23Å; F39-W41 HydrophobicContact CE2-CZ3 4.34Å; F39-W41 AromaticContact CE2-NE1 3.18Å; F39-W41 AromaticContact CZ-CE2 3.78Å; F39-W41 HydrophobicContact CZ-CH2 4.42Å; F39-W41 AromaticContact CZ-CZ2 3.62Å; F39-W41 HydrophobicContact CZ-CZ2 3.62Å; F39-W41 AromaticContact CZ-NE1 3.72Å; F39-A59 HydrophobicContact CD2-CB 3.25Å; F39-A59 HydrophobicContact CE2-CB 3.37Å; F39-A59 HydrophobicContact CG-CB 4.25Å; F39-F61 HydrophobicContact CB-CD1 3.89Å; F39-F61 HydrophobicContact CB-CE1 3.58Å; F39-F61 HydrophobicContact CB-CZ 4.24Å; F39-F61 HydrophobicContact CD1-CD1 4.41Å; F39-F61 AromaticContact CD1-CE1 3.38Å; F39-F61 HydrophobicContact CD1-CE1 3.38Å; F39-F61 AromaticContact CD1-CZ 3.84Å; F39-F61 HydrophobicContact CD1-CZ 3.84Å; F39-F61 HydrophobicContact CD2-CE1 4.31Å; F39-F61 HydrophobicContact CD2-CZ 4.22Å; F39-F61 HydrophobicContact CE1-CE1 4.05Å; F39-F61 HydrophobicContact CE1-CZ 4.14Å; F39-F61 HydrophobicContact CE2-CZ 4.38Å; F39-F61 HydrophobicContact CG-CD1 4.34Å; F39-F61 AromaticContact CG-CE1 3.53Å; F39-F61 HydrophobicContact CG-CE1 3.53Å; F39-F61 AromaticContact CG-CZ 3.87Å; F39-F61 HydrophobicContact CG-CZ 3.87Å; F39-F61 HydrophobicContact CZ-CZ 4.39Å
40T64.1Low65.4Low123 Ų123121.3 Ų121.376%0.75560%0.597SS**EExtended strand (participates in β ladder)trans-92.1131.7175.8-51.10000109.3
41W67.1Low66.6Low79 Ų79117.6 Ų117.630%0.29959%0.589SS.*EExtended strand (participates in β ladder)trans-89.2132.7172.3-69.799.3000110.5F25 F39 L57 I58 A59F25-W41 HydrophobicContact CD2-CZ2 4.29Å; F39-W41 HydrophobicContact CD2-CD2 4.2Å; F39-W41 AromaticContact CD2-CE2 3.97Å; F39-W41 HydrophobicContact CD2-CG 4.44Å; F39-W41 HydrophobicContact CD2-CZ2 4.41Å; F39-W41 AromaticContact CD2-NE1 3.85Å; F39-W41 AromaticContact CE2-CD1 3.93Å; F39-W41 AromaticContact CE2-CD2 3.71Å; F39-W41 HydrophobicContact CE2-CD2 3.71Å; F39-W41 AromaticContact CE2-CE2 3.1Å; F39-W41 HydrophobicContact CE2-CE3 4.27Å; F39-W41 HydrophobicContact CE2-CG 4.28Å; F39-W41 AromaticContact CE2-CH2 3.87Å; F39-W41 HydrophobicContact CE2-CH2 3.87Å; F39-W41 AromaticContact CE2-CZ2 3.23Å; F39-W41 HydrophobicContact CE2-CZ2 3.23Å; F39-W41 HydrophobicContact CE2-CZ3 4.34Å; F39-W41 AromaticContact CE2-NE1 3.18Å; F39-W41 AromaticContact CZ-CE2 3.78Å; F39-W41 HydrophobicContact CZ-CH2 4.42Å; F39-W41 AromaticContact CZ-CZ2 3.62Å; F39-W41 HydrophobicContact CZ-CZ2 3.62Å; F39-W41 AromaticContact CZ-NE1 3.72Å; W41-L57 HydrophobicContact CD2-CB 4.39Å; W41-L57 HydrophobicContact CE3-CB 3.52Å; W41-L57 HydrophobicContact CH2-CB 4.38Å; W41-L57 HydrophobicContact CZ3-CB 3.53Å; W41-I58 CarbonylContact C-O 3.57Å; W41-I58 WeakPolarHBondContact CA-O 3.46Å; W41-A59 HydrophobicContact CD2-CB 4.24Å; W41-A59 HydrophobicContact CE3-CB 3.73Å; W41-A59 HydrophobicContact CH2-CB 4.11Å; W41-A59 HydrophobicContact CZ3-CB 3.65Å
42K71.4Confident67.5Low148 Ų148114.2 Ų114.264%0.64357%0.568SS**EExtended strand (participates in β ladder)trans-106.7126.7164.1-172.3175-178.3176.30109I58K42-I58 HydrophobicContact CB-CB 4.48Å; K42-I58 PolarHBondContact N-O 2.8Å; K42-I58 PolarHBondContact O-N 2.85Å
43V72.8Confident68.8Low81 Ų81110.3 Ų110.349%0.49155%0.547SS..EExtended strand (participates in β ladder)trans-89.2127.1174.7-177.60000108.8W55 L57V43-W55 HydrophobicContact CG1-CE3 3.42Å; V43-W55 VanDerWaalsContact CG1-CE3 3.42Å; V43-W55 HydrophobicContact CG1-CZ3 3.68Å; V43-L57 HydrophobicContact CG2-CD2 3.77Å
44R74.6Confident69.6Low107 Ų107104.2 Ų104.240%0.40452%0.519SS..EExtended strand (participates in β ladder)trans-124.5121.8174.5-178.1177.165.9-159.7-10.2110.1E4 L46 W55 C56 I58E4-R44 IonicContact OE1-CZ 2.89Å; E4-R44 IonicContact OE1-NH2 3.99Å; E4-R44 PolarHBondContact OE1-NH2 2.87Å; R44-L46 PolarHBondContact O-N 3.18Å; R44-W55 WeakPolarHBondContact O-CA 3.46Å; R44-C56 PolarHBondContact N-O 3.14Å; R44-C56 PolarHBondContact O-N 3.05Å; R44-I58 HydrophobicContact CB-CD1 4.11Å
45R76.5Confident70.5Confident147 Ų147100 Ų10056%0.55549%0.489SS*.EExtended strand (participates in β ladder)trans-73.9122.1166.4-165.117265.1178.2-1.1108.9E53 W55R45-E53 IonicContact NH1-OE1 3.83Å; R45-W55 HydrophobicContact CB-CD2 4.1Å; R45-W55 HydrophobicContact CB-CE3 3.72Å; R45-W55 HydrophobicContact CB-CH2 3.78Å; R45-W55 HydrophobicContact CB-CZ2 4.09Å; R45-W55 HydrophobicContact CB-CZ3 3.57Å; R45-W55 HydrophobicContact CG-CD2 4.12Å; R45-W55 HydrophobicContact CG-CE3 4.25Å; R45-W55 HydrophobicContact CG-CH2 4.02Å; R45-W55 HydrophobicContact CG-CZ2 3.81Å; R45-W55 HydrophobicContact CG-CZ3 4.22Å
46L75.6Confident71.4Confident92 Ų9294.1 Ų94.148%0.48246%0.459SS..EExtended strand (participates in β ladder)trans-85.1-47.2177.5-67.9-176.6000111.7R44 H54 C56R44-L46 PolarHBondContact O-N 3.18Å; L46-H54 HydrophobicContact CB-CB 4.06Å; L46-H54 PolarHBondContact N-O 2.78Å; L46-C56 WeakPolarHBondContact CD1-SG 3.28Å
47S78.7Confident72.3Confident57 Ų5785 Ų8540%0.39942%0.42SS..EExtended strand (participates in β ladder)trans-160.1159.7-179540000110.4H54S47-H54 PolarHBondContact O-N 2.92Å; S47-H54 PolarHBondContact OG-CD2 2.88Å
48S77.7Confident73.1Confident57 Ų5783.7 Ų83.740%0.39941%0.409SS..EExtended strand (participates in β ladder)trans-137.4123.8177.1-174.70000107.2K11 E53K11-S48 WeakPolarHBondContact CE-OG 3.39Å; S48-E53 PolarHBondContact OG-OE1 3.45Å
49S78.7Confident73.6Confident51 Ų5175.4 Ų75.436%0.35737%0.365SS..  trans-101.4-172.8169.2780000109.1K11 T51 E52K11-S49 WeakPolarHBondContact CE-O 3.41Å; K11-S49 PolarHBondContact NZ-O 2.83Å; S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact OG-N 2.98Å; S49-E52 PolarHBondContact N-O 3.23Å; S49-E52 WeakPolarHBondContact OG-CB 3.06Å; S49-E52 PolarHBondContact OG-N 2.97Å; S49-E52 PolarHBondContact OG-O 3Å
50W73.1Confident73.8Confident242 Ų24278.3 Ų78.392%0.91738%0.379SS*.SBendtrans-63.3-41.6176.7-78.790.3000112.1K11K11-W50 WeakPolarHBondContact CD-O 3.15Å; K11-W50 WeakPolarHBondContact CE-O 3.41Å; K11-W50 PolarHBondContact NZ-O 3.27Å; K11-W50 VanDerWaalsContact NZ-O 3.08Å
51T78.3Confident74Confident95 Ų9578.4 Ų78.458%0.58337%0.369SS*.SBendtrans-104.6-27.4-172.348.50000113.5T10 K11 S49T10-T51 WeakPolarHBondContact CA-O 3.49Å; K11-T51 PolarHBondContact N-O 2.89Å; S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact OG-N 2.98Å
52E76.3Confident74.3Confident87 Ų8778.4 Ų78.441%0.40737%0.373SS..EExtended strand (participates in β ladder)trans-124.5149.8-168.7-63.3179.8170.800112.1T9 S49T9-E52 CarbonylContact O-C 3.55Å; T9-E52 WeakPolarHBondContact O-CA 3.46Å; S49-E52 PolarHBondContact N-O 3.23Å; S49-E52 WeakPolarHBondContact OG-CB 3.06Å; S49-E52 PolarHBondContact OG-N 2.97Å; S49-E52 PolarHBondContact OG-O 3Å
53E76.7Confident74.5Confident21 Ų2174.7 Ų74.710%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-129.1138.9168.2-52.9-159.5132.200110.1S8 T9 K11 I14 R45 S48 W55S8-E53 WeakPolarHBondContact CA-O 3.15Å; T9-E53 PolarHBondContact N-O 3.47Å; T9-E53 PolarHBondContact O-N 3.05Å; K11-E53 HydrophobicContact CG-CG 3.66Å; I14-E53 HydrophobicContact CD1-CB 4.04Å; I14-E53 HydrophobicContact CD1-CG 4.4Å; I14-E53 WeakPolarHBondContact CD1-OE2 3.03Å; R45-E53 IonicContact NH1-OE1 3.83Å; S48-E53 PolarHBondContact OG-OE1 3.45Å; E53-W55 VanDerWaalsContact OE2-CZ2 3.31Å; E53-W55 WeakPolarHBondContact OE2-CZ2 3.46Å; E53-W55 PolarHBondContact OE2-NE1 3.21Å
54H73.7Confident74.5Confident52 Ų5274.4 Ų74.424%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-106.9127.7177.7-58.9-86.2000109S8 L46 S47S8-H54 PolarHBondContact OG-CE1 2.71Å; S8-H54 VanDerWaalsContact OG-CE1 3.23Å; S8-H54 PolarHBondContact OG-ND1 3.25Å; L46-H54 HydrophobicContact CB-CB 4.06Å; L46-H54 PolarHBondContact N-O 2.78Å; S47-H54 PolarHBondContact O-N 2.92Å; S47-H54 PolarHBondContact OG-CD2 2.88Å
55W75.2Confident74.5Confident45 Ų4572.5 Ų72.517%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-129.4147.2-176.3-65.484.2000109.9C6 Y7 I14 V43 R44 R45 E53C6-W55 CarbonylContact C-O 3.52Å; C6-W55 VanDerWaalsContact CA-O 3.23Å; C6-W55 WeakPolarHBondContact CA-O 3.45Å; Y7-W55 HydrophobicContact CD1-CB 4.43Å; Y7-W55 HydrophobicContact CE1-CB 3.89Å; Y7-W55 HydrophobicContact CE2-CB 4.06Å; Y7-W55 HydrophobicContact CE2-CG 4.49Å; Y7-W55 PolarHBondContact N-O 2.79Å; Y7-W55 PolarHBondContact O-N 3.08Å; I14-W55 HydrophobicContact CD1-CD2 4.5Å; I14-W55 HydrophobicContact CD1-CG 4.49Å; I14-W55 HydrophobicContact CD1-CZ2 3.97Å; V43-W55 HydrophobicContact CG1-CE3 3.42Å; V43-W55 VanDerWaalsContact CG1-CE3 3.42Å; V43-W55 HydrophobicContact CG1-CZ3 3.68Å; R44-W55 WeakPolarHBondContact O-CA 3.46Å; R45-W55 HydrophobicContact CB-CD2 4.1Å; R45-W55 HydrophobicContact CB-CE3 3.72Å; R45-W55 HydrophobicContact CB-CH2 3.78Å; R45-W55 HydrophobicContact CB-CZ2 4.09Å; R45-W55 HydrophobicContact CB-CZ3 3.57Å; R45-W55 HydrophobicContact CG-CD2 4.12Å; R45-W55 HydrophobicContact CG-CE3 4.25Å; R45-W55 HydrophobicContact CG-CH2 4.02Å; R45-W55 HydrophobicContact CG-CZ2 3.81Å; R45-W55 HydrophobicContact CG-CZ3 4.22Å; E53-W55 VanDerWaalsContact OE2-CZ2 3.31Å; E53-W55 WeakPolarHBondContact OE2-CZ2 3.46Å; E53-W55 PolarHBondContact OE2-NE1 3.21Å
56C72.9Confident74.4Confident1 Ų167.8 Ų67.81%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-122.7133.5166-62.30000110L5 C6 R44 L46 I58L5-C56 WeakPolarHBondContact O-CA 3.42Å; C6-C56 HydrophobicContact CB-CB 4.19Å; C6-C56 WeakPolarHBondContact CB-SG 3.39Å; C6-C56 WeakPolarHBondContact SG-CB 3.48Å; C6-C56 CovalentContact SG-SG 2.05Å; C6-C56 PolarHBondContact SG-SG 2.98Å; R44-C56 PolarHBondContact N-O 3.14Å; R44-C56 PolarHBondContact O-N 3.05Å; L46-C56 WeakPolarHBondContact CD1-SG 3.28Å; C56-I58 HydrophobicContact CB-CG1 4.37Å
57L74.5Confident74.3Confident8 Ų866.2 Ų66.24%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-89.7119.7163.8-69.5164.7000107.4E4 L5 Y7 F25 W41 V43E4-L57 CarbonylContact C-O 3.57Å; E4-L57 WeakPolarHBondContact CA-O 3.26Å; L5-L57 HydrophobicContact CB-CB 4.34Å; L5-L57 HydrophobicContact CD2-CD1 3.99Å; L5-L57 PolarHBondContact N-O 3.49Å; L5-L57 PolarHBondContact O-N 2.99Å; Y7-L57 HydrophobicContact CE1-CD1 3.94Å; Y7-L57 HydrophobicContact CE1-CG 4.01Å; F25-L57 HydrophobicContact CE2-CD1 3.8Å; F25-L57 HydrophobicContact CZ-CD1 4.16Å; W41-L57 HydrophobicContact CD2-CB 4.39Å; W41-L57 HydrophobicContact CE3-CB 3.52Å; W41-L57 HydrophobicContact CH2-CB 4.38Å; W41-L57 HydrophobicContact CZ3-CB 3.53Å; V43-L57 HydrophobicContact CG2-CD2 3.77Å
58I73.4Confident74Confident19 Ų1966.9 Ų66.910%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-111.3117.3-178.2-51.8175.8000107.8T2 E4 W41 K42 R44 C56 Q60T2-I58 HydrophobicContact CG2-CG2 3.61Å; E4-I58 HydrophobicContact CG-CG1 4.16Å; E4-I58 HydrophobicContact CG-CG2 4.27Å; W41-I58 CarbonylContact C-O 3.57Å; W41-I58 WeakPolarHBondContact CA-O 3.46Å; K42-I58 HydrophobicContact CB-CB 4.48Å; K42-I58 PolarHBondContact N-O 2.8Å; K42-I58 PolarHBondContact O-N 2.85Å; R44-I58 HydrophobicContact CB-CD1 4.11Å; C56-I58 HydrophobicContact CB-CG1 4.37Å; I58-Q60 HydrophobicContact CG2-CG 4.39Å
59A71.9Confident73.7Confident0 Ų067.6 Ų67.60%031%0.314CS..EExtended strand (participates in β ladder)trans-101.8129.2171.500000109.2T2 V3 F39 W41 F61T2-A59 CarbonylContact C-O 3.57Å; T2-A59 VanDerWaalsContact CA-O 3.31Å; T2-A59 WeakPolarHBondContact CA-O 3.33Å; V3-A59 HydrophobicContact CB-CB 4.26Å; V3-A59 PolarHBondContact N-O 3.29Å; V3-A59 PolarHBondContact O-N 3.3Å; F39-A59 HydrophobicContact CD2-CB 3.25Å; F39-A59 HydrophobicContact CE2-CB 3.37Å; F39-A59 HydrophobicContact CG-CB 4.25Å; W41-A59 HydrophobicContact CD2-CB 4.24Å; W41-A59 HydrophobicContact CE3-CB 3.73Å; W41-A59 HydrophobicContact CH2-CB 4.11Å; W41-A59 HydrophobicContact CZ3-CB 3.65Å; A59-F61 HydrophobicContact CB-CE2 4.17Å; A59-F61 HydrophobicContact CB-CZ 4.28Å
60Q67.5Low73.3Confident133 Ų13369 Ų6962%0.62131%0.311SS*.EExtended strand (participates in β ladder)trans-115130.5171.7-65.9-173.9-63.300109.6T2 I58T2-Q60 HydrophobicContact CG2-CG 4.22Å; I58-Q60 HydrophobicContact CG2-CG 4.39Å
61F66.6Low73.4Confident125 Ų12553.3 Ų53.355%0.54826%0.256SS..  trans-109.70174.9-53.8-83.5000110.5M1 V3 C37 F39 A59M1-F61 HydrophobicContact CB-CB 4.32Å; M1-F61 HydrophobicContact CB-CD2 4.22Å; M1-F61 PolarHBondContact N-O 3.41Å; M1-F61 WeakPolarHBondContact O-CD2 3.45Å; M1-F61 PolarHBondContact O-N 2.67Å; V3-F61 HydrophobicContact CB-CE2 4.21Å; V3-F61 HydrophobicContact CG2-CE2 3.75Å; C37-F61 HydrophobicContact CB-CD1 3.84Å; C37-F61 HydrophobicContact CB-CE1 3.73Å; C37-F61 WeakPolarHBondContact SG-CE1 3.43Å; F39-F61 HydrophobicContact CB-CD1 3.89Å; F39-F61 HydrophobicContact CB-CE1 3.58Å; F39-F61 HydrophobicContact CB-CZ 4.24Å; F39-F61 HydrophobicContact CD1-CD1 4.41Å; F39-F61 AromaticContact CD1-CE1 3.38Å; F39-F61 HydrophobicContact CD1-CE1 3.38Å; F39-F61 AromaticContact CD1-CZ 3.84Å; F39-F61 HydrophobicContact CD1-CZ 3.84Å; F39-F61 HydrophobicContact CD2-CE1 4.31Å; F39-F61 HydrophobicContact CD2-CZ 4.22Å; F39-F61 HydrophobicContact CE1-CE1 4.05Å; F39-F61 HydrophobicContact CE1-CZ 4.14Å; F39-F61 HydrophobicContact CE2-CZ 4.38Å; F39-F61 HydrophobicContact CG-CD1 4.34Å; F39-F61 AromaticContact CG-CE1 3.53Å; F39-F61 HydrophobicContact CG-CE1 3.53Å; F39-F61 AromaticContact CG-CZ 3.87Å; F39-F61 HydrophobicContact CG-CZ 3.87Å; F39-F61 HydrophobicContact CZ-CZ 4.39Å; A59-F61 HydrophobicContact CB-CE2 4.17Å; A59-F61 HydrophobicContact CB-CZ 4.28Å

Retrieved 61 of 61 residues in 132.4 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).