K7FQE2_PELSI Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession K7FQE2, Species PELSI (Pelodiscus sinensis, Chinese softshell turtle), Gene DYNLL2, Length 91 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
1F44.6Very low71.9Confident266 Ų266118 Ų118100%1.16759%0.594SS**  0104.70-63.7-79.9000107.7
2T41.9Very low74.1Confident111 Ų111116.1 Ų116.168%0.68159%0.587SS**  trans-72133.6177.339.70000109.1S4T2-S4 PolarHBondContact O-N 2.83Å; T2-S4 VanDerWaalsContact O-N 3.12Å
3M54Low75.9Confident79 Ų79109.5 Ų109.539%0.38956%0.561SS.*G310 helixtrans-63.6-12.1-179.4-103165.216100113.7D5 R6 M31 E32M3-D5 PolarHBondContact O-N 3.02Å; M3-R6 PolarHBondContact O-N 2.88Å; M3-M31 WeakPolarHBondContact CE-O 3.09Å; M3-E32 HydrophobicContact CE-CG 4.32Å; M3-E32 HydrophobicContact SD-CB 4.37Å; M3-E32 HydrophobicContact SD-CG 3.55Å; M3-E32 VanDerWaalsContact SD-CG 3.55Å
4S51.9Low77.5Confident107 Ų107106.3 Ų106.375%0.74855%0.545SS*.G310 helixtrans-63.8-4.5-171.4-42.60000116.7T2T2-S4 PolarHBondContact O-N 2.83Å; T2-S4 VanDerWaalsContact O-N 3.12Å
5D54.7Low78.9Confident139 Ų139100.4 Ų100.474%0.74352%0.515SS*.G310 helixtrans-117.19.4-175.9-73.3-49.7000115.1M3 K7M3-D5 PolarHBondContact O-N 3.02Å; D5-K7 PolarHBondContact O-N 3.12Å
6R69.9Low80.2Confident123 Ų12398.2 Ų98.246%0.46451%0.511SS..  trans-77.776.6174.7-68.2-171.9-172.3170.76110.5M3 A8 M31 L80M3-R6 PolarHBondContact O-N 2.88Å; R6-A8 PolarHBondContact O-N 3.27Å; R6-M31 VanDerWaalsContact NH1-CE 3.26Å; R6-L80 WeakPolarHBondContact O-CD2 3.35Å
7K86.3Confident81.2Confident177 Ų177102 Ų10277%0.7753%0.526SS*.  trans-56125.5172.3-174.6172.9-178.3176.80109.7D5D5-K7 PolarHBondContact O-N 3.12Å
8A95.2Very high82.2Confident26 Ų26103.3 Ų103.322%0.21553%0.534CS..EExtended strand (participates in β ladder)trans-64134.617300000110.5R6 V24 F78 Y79 L80R6-A8 PolarHBondContact O-N 3.27Å; A8-V24 HydrophobicContact CB-CB 4.33Å; A8-V24 HydrophobicContact CB-CG1 3.69Å; A8-V24 HydrophobicContact CB-CG2 3.61Å; A8-F78 HydrophobicContact CB-CD2 4.19Å; A8-Y79 CarbonylContact C-O 2.85Å; A8-Y79 WeakPolarHBondContact CA-O 3.43Å; A8-L80 HydrophobicContact CB-CD2 3.79Å
9V97.3Very high83Confident69 Ų6998.9 Ų98.942%0.41851%0.511SS..EExtended strand (participates in β ladder)trans-113.997.6172.3-178.20000108K11 F78 Y79V9-K11 HydrophobicContact CG1-CD 4.27Å; V9-K11 PolarHBondContact O-N 3.49Å; V9-F78 CarbonylContact O-C 3.5Å; V9-F78 VanDerWaalsContact O-CA 3.28Å; V9-F78 WeakPolarHBondContact O-CA 3.49Å; V9-F78 WeakPolarHBondContact O-CB 3.35Å; V9-Y79 PolarHBondContact N-O 3.26Å; V9-Y79 PolarHBondContact O-N 3.42Å
10I97.9Very high83.8Confident79 Ų7995.8 Ų95.841%0.40549%0.494SS..EExtended strand (participates in β ladder)trans-69125176.3-60.2161.7000108.4A13 F78I10-A13 HydrophobicContact CG2-CB 4.01Å; I10-F78 HydrophobicContact CB-CB 4.48Å; I10-F78 HydrophobicContact CG1-CB 4.19Å
11K97.7Very high84.5Confident122 Ų12296.1 Ų96.153%0.5349%0.493SS..EExtended strand (participates in β ladder)trans-98.3-38.5178-64.2-58.5-176.4-177.80111.4V9 Y77 Y79V9-K11 HydrophobicContact CG1-CD 4.27Å; V9-K11 PolarHBondContact O-N 3.49Å; K11-Y77 HydrophobicContact CB-CD1 3.61Å; K11-Y77 HydrophobicContact CB-CE1 3.98Å; K11-Y77 HydrophobicContact CB-CG 4.39Å; K11-Y77 HydrophobicContact CG-CD1 4.21Å; K11-Y77 HydrophobicContact CG-CE1 4.14Å; K11-Y77 PolarHBondContact N-O 3.13Å; K11-Y79 HydrophobicContact CD-CD2 4.32Å; K11-Y79 HydrophobicContact CG-CD2 3.73Å; K11-Y79 HydrophobicContact CG-CE2 3.92Å
12N97.8Very high87.1Confident95 Ų9585.8 Ų85.851%0.50845%0.45SS..EExtended strand (participates in β ladder)trans-156.4145.5173.5-166.39.2000109.4F75 Y77N12-F75 HydrophobicContact CB-CE1 4.12Å; N12-Y77 PolarHBondContact N-O 2.83Å; N12-Y77 VanDerWaalsContact N-O 3.13Å; N12-Y77 PolarHBondContact O-N 3.33Å
13A98.2Very high89.8Confident30 Ų3080.5 Ų80.525%0.24842%0.418CS..EExtended strand (participates in β ladder)trans-152.1135.5175.700000110.1I10 Q20 F75 I76I10-A13 HydrophobicContact CG2-CB 4.01Å; A13-Q20 HydrophobicContact CB-CG 4.16Å; A13-F75 CarbonylContact C-O 3.55Å; A13-F75 WeakPolarHBondContact CA-O 3.37Å; A13-I76 HydrophobicContact CB-CB 4.45Å; A13-I76 HydrophobicContact CB-CG1 4.01Å
14D98.4Very high91.9Very high65 Ų6577.6 Ų77.635%0.34840%0.404SS..EExtended strand (participates in β ladder)trans-126.881.9165.5173.829000106.4K73 H74 F75D14-K73 VanDerWaalsContact CG-N 3.32Å; D14-K73 CarbonylContact O-C 3.59Å; D14-K73 WeakPolarHBondContact O-CA 3.28Å; D14-K73 PolarHBondContact OD1-N 2.82Å; D14-K73 PolarHBondContact OD2-N 2.87Å; D14-H74 PolarHBondContact O-N 3.01Å; D14-F75 CarbonylContact C-O 3.58Å; D14-F75 HydrophobicContact CB-CB 4.36Å; D14-F75 PolarHBondContact N-O 3.41Å; D14-F75 PolarHBondContact O-N 2.9Å
15M98.4Very high94.1Very high18 Ų1875.7 Ų75.79%0.08939%0.386CS..SBendtrans-172.5168.3176.853.6170.456.100109.8M19 Q20 W56 K73 I76M15-M19 HydrophobicContact CB-CB 4.36Å; M15-M19 HydrophobicContact CB-CG 4.47Å; M15-M19 HydrophobicContact CB-SD 3.9Å; M15-M19 HydrophobicContact CE-CG 4.11Å; M15-M19 HydrophobicContact CE-SD 3.73Å; M15-M19 HydrophobicContact SD-CB 4.01Å; M15-M19 HydrophobicContact SD-CG 3.73Å; M15-M19 HydrophobicContact SD-SD 4.02Å; M15-Q20 HydrophobicContact CG-CG 3.58Å; M15-Q20 PolarHBondContact O-NE2 2.9Å; M15-Q20 HydrophobicContact SD-CG 3.86Å; M15-W56 HydrophobicContact CE-CH2 4.02Å; M15-W56 HydrophobicContact CE-CZ3 4.06Å; M15-K73 WeakPolarHBondContact CA-O 3.43Å; M15-K73 WeakPolarHBondContact CB-O 3.33Å; M15-I76 HydrophobicContact CE-CB 3.92Å; M15-I76 HydrophobicContact CE-CG2 3.81Å; M15-I76 HydrophobicContact CG-CB 4.46Å; M15-I76 HydrophobicContact SD-CB 3.76Å; M15-I76 HydrophobicContact SD-CD1 4.32Å; M15-I76 HydrophobicContact SD-CG2 3.92Å
16S98.4Very high96.2Very high65 Ų6569.6 Ų69.646%0.45535%0.354SS..  trans-66.7153.4177.862.50000112.7D18 M19 Q20S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 3.29Å; S16-M19 PolarHBondContact O-N 2.81Å; S16-M19 WeakPolarHBondContact OG-CB 3.47Å; S16-M19 PolarHBondContact OG-N 3.06Å; S16-Q20 WeakPolarHBondContact O-CG 3.4Å; S16-Q20 PolarHBondContact O-N 3.13Å
17E97.9Very high97.5Very high163 Ų16363.8 Ų63.876%0.76233%0.332SS*.Hα-helixtrans-57.1-40.8177.9-65.9-176.6172.400112.3M19 Q20 Q21E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.37Å; E17-Q20 WeakPolarHBondContact O-CB 3.48Å; E17-Q20 PolarHBondContact O-N 2.86Å; E17-Q20 VanDerWaalsContact O-N 3.14Å; E17-Q21 PolarHBondContact O-N 2.9Å
18D98.4Very high98.1Very high125 Ų12557.6 Ų57.667%0.66831%0.309SS*.Hα-helixtrans-58.1-43175-64.6-22.7000111.9S16 Q20 Q21 D22S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 3.29Å; D18-Q20 VanDerWaalsContact C-N 3.35Å; D18-Q21 PolarHBondContact O-N 3.14Å; D18-D22 WeakPolarHBondContact O-CB 3.28Å; D18-D22 PolarHBondContact O-N 2.8Å
19M98.7Very high98.2Very high20 Ų2060.5 Ų60.510%0.09932%0.318CS..Hα-helixtrans-70.7-32.7178.6-168.3-178.2-63.100111.8M15 S16 E17 D22 A23 F48 Y52 W56M15-M19 HydrophobicContact CB-CB 4.36Å; M15-M19 HydrophobicContact CB-CG 4.47Å; M15-M19 HydrophobicContact CB-SD 3.9Å; M15-M19 HydrophobicContact CE-CG 4.11Å; M15-M19 HydrophobicContact CE-SD 3.73Å; M15-M19 HydrophobicContact SD-CB 4.01Å; M15-M19 HydrophobicContact SD-CG 3.73Å; M15-M19 HydrophobicContact SD-SD 4.02Å; S16-M19 PolarHBondContact O-N 2.81Å; S16-M19 WeakPolarHBondContact OG-CB 3.47Å; S16-M19 PolarHBondContact OG-N 3.06Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.37Å; M19-D22 PolarHBondContact O-N 3.48Å; M19-A23 WeakPolarHBondContact O-CB 3.49Å; M19-A23 PolarHBondContact O-N 3.05Å; M19-F48 HydrophobicContact CG-CE1 4.06Å; M19-Y52 HydrophobicContact CE-CD1 3.73Å; M19-Y52 HydrophobicContact CE-CE1 3.76Å; M19-Y52 HydrophobicContact CE-CG 4.29Å; M19-Y52 HydrophobicContact CG-CE1 4.22Å; M19-Y52 HydrophobicContact CG-CE2 4.13Å; M19-W56 HydrophobicContact SD-CH2 3.77Å; M19-W56 HydrophobicContact SD-CZ2 4.24Å
20Q98.7Very high98.2Very high37 Ų3757.2 Ų57.217%0.17330%0.298CS..Hα-helixtrans-64.9-44.4173.1-62.8176.437.500110.9A13 M15 S16 E17 D18 A23 V24 I76A13-Q20 HydrophobicContact CB-CG 4.16Å; M15-Q20 HydrophobicContact CG-CG 3.58Å; M15-Q20 PolarHBondContact O-NE2 2.9Å; M15-Q20 HydrophobicContact SD-CG 3.86Å; S16-Q20 WeakPolarHBondContact O-CG 3.4Å; S16-Q20 PolarHBondContact O-N 3.13Å; E17-Q20 WeakPolarHBondContact O-CB 3.48Å; E17-Q20 PolarHBondContact O-N 2.86Å; E17-Q20 VanDerWaalsContact O-N 3.14Å; D18-Q20 VanDerWaalsContact C-N 3.35Å; Q20-A23 WeakPolarHBondContact O-CB 3.21Å; Q20-A23 PolarHBondContact O-N 3.41Å; Q20-V24 WeakPolarHBondContact O-CG2 3.5Å; Q20-V24 PolarHBondContact O-N 3.33Å; Q20-I76 HydrophobicContact CB-CD1 3.9Å; Q20-I76 HydrophobicContact CG-CD1 3.93Å
21Q98.3Very high98.1Very high102 Ų10254.4 Ų54.448%0.47728%0.284SS..Hα-helixtrans-62.2-44.9176.6-173.557.951.600110.8E17 D18 A23 V24 D25E17-Q21 PolarHBondContact O-N 2.9Å; D18-Q21 PolarHBondContact O-N 3.14Å; Q21-A23 VanDerWaalsContact C-N 3.27Å; Q21-A23 PolarHBondContact O-N 2.94Å; Q21-V24 PolarHBondContact O-N 3Å; Q21-V24 VanDerWaalsContact O-N 3.17Å; Q21-D25 VanDerWaalsContact NE2-CG 3.26Å; Q21-D25 PolarHBondContact NE2-OD1 2.95Å; Q21-D25 PolarHBondContact NE2-OD2 2.97Å; Q21-D25 VanDerWaalsContact NE2-OD2 3.13Å; Q21-D25 WeakPolarHBondContact O-CB 3.37Å; Q21-D25 PolarHBondContact O-N 3Å
22D98.6Very high98Very high49 Ų4954.2 Ų54.226%0.26229%0.285SS..Hα-helixtrans-57.9-37.7173.9-79.5-50.1000112.5D18 M19 C26 F48 K51 Y52D18-D22 WeakPolarHBondContact O-CB 3.28Å; D18-D22 PolarHBondContact O-N 2.8Å; M19-D22 PolarHBondContact O-N 3.48Å; D22-C26 WeakPolarHBondContact O-CB 3.43Å; D22-C26 PolarHBondContact O-N 2.87Å; D22-F48 HydrophobicContact CB-CZ 4.41Å; D22-K51 IonicContact OD1-NZ 2.71Å; D22-K51 PolarHBondContact OD1-NZ 3.29Å; D22-K51 WeakPolarHBondContact OD2-CE 3.09Å; D22-K51 IonicContact OD2-NZ 2.69Å; D22-K51 PolarHBondContact OD2-NZ 2.95Å; D22-Y52 WeakPolarHBondContact CB-OH 3.44Å; D22-Y52 VanDerWaalsContact CG-OH 3.27Å; D22-Y52 PolarHBondContact OD2-OH 3.37Å
23A98.7Very high97.9Very high0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-67.4-43.4176.400000112M19 Q20 Q21 A27 F48 I76 F78 L87M19-A23 WeakPolarHBondContact O-CB 3.49Å; M19-A23 PolarHBondContact O-N 3.05Å; Q20-A23 WeakPolarHBondContact O-CB 3.21Å; Q20-A23 PolarHBondContact O-N 3.41Å; Q21-A23 VanDerWaalsContact C-N 3.27Å; Q21-A23 PolarHBondContact O-N 2.94Å; A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.36Å; A23-F48 VanDerWaalsContact CA-CZ 3.44Å; A23-F48 HydrophobicContact CB-CE1 4.41Å; A23-F48 HydrophobicContact CB-CE2 4.18Å; A23-F48 HydrophobicContact CB-CZ 3.59Å; A23-I76 HydrophobicContact CB-CD1 4.19Å; A23-I76 HydrophobicContact CB-CG2 4.04Å; A23-F78 HydrophobicContact CB-CE1 4.3Å; A23-L87 HydrophobicContact CB-CD2 4.07Å
24V98.4Very high97.9Very high18 Ų1858 Ų5811%0.10929%0.29CS..Hα-helixtrans-64.8-45.1177.81690000111.2A8 Q20 Q21 A27 T28 F78 L80A8-V24 HydrophobicContact CB-CB 4.33Å; A8-V24 HydrophobicContact CB-CG1 3.69Å; A8-V24 HydrophobicContact CB-CG2 3.61Å; Q20-V24 WeakPolarHBondContact O-CG2 3.5Å; Q20-V24 PolarHBondContact O-N 3.33Å; Q21-V24 PolarHBondContact O-N 3Å; Q21-V24 VanDerWaalsContact O-N 3.17Å; V24-A27 PolarHBondContact O-N 3.18Å; V24-T28 WeakPolarHBondContact O-CB 3.44Å; V24-T28 PolarHBondContact O-N 2.96Å; V24-T28 PolarHBondContact O-OG1 2.89Å; V24-F78 HydrophobicContact CB-CE2 4.49Å; V24-F78 HydrophobicContact CG2-CD2 4.1Å; V24-F78 HydrophobicContact CG2-CE2 3.9Å; V24-F78 HydrophobicContact CG2-CZ 4.29Å; V24-L80 HydrophobicContact CG1-CD2 4.47Å
25D98.1Very high97.6Very high67 Ų6762.3 Ų62.336%0.35831%0.312SS..Hα-helixtrans-67.6-43.2-180-68.9-22000111.1Q21 A27 T28 Q29Q21-D25 VanDerWaalsContact NE2-CG 3.26Å; Q21-D25 PolarHBondContact NE2-OD1 2.95Å; Q21-D25 PolarHBondContact NE2-OD2 2.97Å; Q21-D25 VanDerWaalsContact NE2-OD2 3.13Å; Q21-D25 WeakPolarHBondContact O-CB 3.37Å; Q21-D25 PolarHBondContact O-N 3Å; D25-A27 PolarHBondContact O-N 3.43Å; D25-T28 PolarHBondContact O-N 2.95Å; D25-Q29 VanDerWaalsContact O-CG 3.32Å; D25-Q29 WeakPolarHBondContact O-CG 3.36Å; D25-Q29 PolarHBondContact O-N 3.3Å
26C98.6Very high97.6Very high12 Ų1266 Ų668%0.08133%0.332CS..Hα-helixtrans-61-45.5175.9-173.30000111.4D22 Q29 A30 F48D22-C26 WeakPolarHBondContact O-CB 3.43Å; D22-C26 PolarHBondContact O-N 2.87Å; C26-Q29 PolarHBondContact O-N 3.07Å; C26-A30 WeakPolarHBondContact O-CB 3.44Å; C26-A30 PolarHBondContact O-N 2.88Å; C26-F48 HydrophobicContact CB-CE2 4.03Å
27A98.4Very high97.5Very high0 Ų066.3 Ų66.30%033%0.326CS..Hα-helixtrans-66.2-38.8177.600000112.4A23 V24 D25 A30 M31 I44 F78 L80 I85A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.36Å; V24-A27 PolarHBondContact O-N 3.18Å; D25-A27 PolarHBondContact O-N 3.43Å; A27-A30 PolarHBondContact O-N 2.76Å; A27-M31 WeakPolarHBondContact O-CB 3.49Å; A27-M31 VanDerWaalsContact O-CG 3.31Å; A27-M31 WeakPolarHBondContact O-CG 3.45Å; A27-M31 PolarHBondContact O-N 3.17Å; A27-I44 HydrophobicContact CB-CD1 3.72Å; A27-I44 HydrophobicContact CB-CG1 4.38Å; A27-F78 HydrophobicContact CB-CE2 4.09Å; A27-F78 HydrophobicContact CB-CZ 3.7Å; A27-L80 HydrophobicContact CB-CD1 3.62Å; A27-I85 HydrophobicContact CB-CG1 4.37Å
28T97.1Very high97.5Very high48 Ų4865.8 Ų65.829%0.29432%0.321SS..Hα-helixtrans-60.1-49.2175.1-59.90000110.8V24 D25 A30 M31 E32V24-T28 WeakPolarHBondContact O-CB 3.44Å; V24-T28 PolarHBondContact O-N 2.96Å; V24-T28 PolarHBondContact O-OG1 2.89Å; D25-T28 PolarHBondContact O-N 2.95Å; T28-A30 VanDerWaalsContact C-N 3.32Å; T28-A30 PolarHBondContact O-N 2.97Å; T28-M31 PolarHBondContact O-N 3.26Å; T28-E32 WeakPolarHBondContact O-CG 3.48Å; T28-E32 PolarHBondContact O-N 3.49Å; T28-E32 VanDerWaalsContact O-N 3.08Å
29Q97.2Very high97.6Very high86 Ų8662.4 Ų62.440%0.40230%0.303SS..Hα-helixtrans-62-38.8175.7-68.7173.536.400112.6D25 C26 M31 E32 K33D25-Q29 VanDerWaalsContact O-CG 3.32Å; D25-Q29 WeakPolarHBondContact O-CG 3.36Å; D25-Q29 PolarHBondContact O-N 3.3Å; C26-Q29 PolarHBondContact O-N 3.07Å; Q29-M31 VanDerWaalsContact C-N 3.35Å; Q29-E32 PolarHBondContact O-N 2.91Å; Q29-K33 WeakPolarHBondContact O-CG 3.39Å; Q29-K33 PolarHBondContact O-N 3.43Å; Q29-K33 VanDerWaalsContact O-N 3.15Å
30A98.1Very high97.6Very high0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-63.8-42.2177.700000111.4C26 A27 T28 E32 K33 Y34 I40 Y43 I44C26-A30 WeakPolarHBondContact O-CB 3.44Å; C26-A30 PolarHBondContact O-N 2.88Å; A27-A30 PolarHBondContact O-N 2.76Å; T28-A30 VanDerWaalsContact C-N 3.32Å; T28-A30 PolarHBondContact O-N 2.97Å; A30-E32 VanDerWaalsContact C-N 3.3Å; A30-E32 PolarHBondContact O-N 3.45Å; A30-K33 PolarHBondContact O-N 3.33Å; A30-Y34 WeakPolarHBondContact O-CD2 3.26Å; A30-Y34 PolarHBondContact O-N 2.92Å; A30-I40 HydrophobicContact CB-CB 4.49Å; A30-I40 HydrophobicContact CB-CG2 3.76Å; A30-Y43 HydrophobicContact CB-CD1 3.53Å; A30-Y43 HydrophobicContact CB-CE1 4.14Å; A30-Y43 HydrophobicContact CB-CG 4.19Å; A30-I44 HydrophobicContact CB-CD1 4.3Å; A30-I44 HydrophobicContact CB-CG1 3.88Å
31M96Very high97.6Very high21 Ų2160.6 Ų60.610%0.10330%0.297CS..Hα-helixtrans-69.8-23.7177.4-71.9-164.47500113.7M3 R6 A27 T28 Q29 I40 L80 V83M3-M31 WeakPolarHBondContact CE-O 3.09Å; R6-M31 VanDerWaalsContact NH1-CE 3.26Å; A27-M31 WeakPolarHBondContact O-CB 3.49Å; A27-M31 VanDerWaalsContact O-CG 3.31Å; A27-M31 WeakPolarHBondContact O-CG 3.45Å; A27-M31 PolarHBondContact O-N 3.17Å; T28-M31 PolarHBondContact O-N 3.26Å; Q29-M31 VanDerWaalsContact C-N 3.35Å; M31-I40 HydrophobicContact CG-CD1 4.21Å; M31-I40 HydrophobicContact CG-CG2 4.23Å; M31-L80 HydrophobicContact SD-CB 3.94Å; M31-L80 HydrophobicContact SD-CD1 4.12Å; M31-V83 HydrophobicContact CE-CB 4.1Å; M31-V83 HydrophobicContact CE-CG2 3.84Å
32E95.2Very high97.6Very high117 Ų11758.3 Ų58.355%0.54730%0.295SS..Hα-helixtrans-75-35.3171.2-75.6173.1176.600112.3M3 T28 Q29 A30M3-E32 HydrophobicContact CE-CG 4.32Å; M3-E32 HydrophobicContact SD-CB 4.37Å; M3-E32 HydrophobicContact SD-CG 3.55Å; M3-E32 VanDerWaalsContact SD-CG 3.55Å; T28-E32 WeakPolarHBondContact O-CG 3.48Å; T28-E32 PolarHBondContact O-N 3.49Å; T28-E32 VanDerWaalsContact O-N 3.08Å; Q29-E32 PolarHBondContact O-N 2.91Å; A30-E32 VanDerWaalsContact C-N 3.3Å; A30-E32 PolarHBondContact O-N 3.45Å
33K96.3Very high97.6Very high119 Ų11957.6 Ų57.652%0.51729%0.289SS..Hα-helixtrans-86.3-31.9-176-69.9174.4-174176.60113.6Q29 A30 Y43Q29-K33 WeakPolarHBondContact O-CG 3.39Å; Q29-K33 PolarHBondContact O-N 3.43Å; Q29-K33 VanDerWaalsContact O-N 3.15Å; A30-K33 PolarHBondContact O-N 3.33Å; K33-Y43 HydrophobicContact CD-CE2 4.24Å; K33-Y43 PolarHBondContact NZ-OH 2.9Å
34Y97.3Very high97.6Very high86 Ų8657.6 Ų57.634%0.33729%0.289SS..  trans-130.1144.3-169.9-53.3-72.1000111.7A30 D39 Y43A30-Y34 WeakPolarHBondContact O-CD2 3.26Å; A30-Y34 PolarHBondContact O-N 2.92Å; Y34-D39 HydrophobicContact CD1-CB 4.03Å; Y34-D39 HydrophobicContact CG-CB 4.08Å; Y34-Y43 AromaticContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CE2 4.35Å; Y34-Y43 AromaticContact CE2-CG 3.79Å; Y34-Y43 HydrophobicContact CE2-CG 3.79Å
35N93.9Very high97.6Very high155 Ų15559.7 Ų59.783%0.82930%0.297SS*.SBendtrans-106.6-8.6178.6-67-56.4000113.5
36I96.8Very high97.6Very high96 Ų9663.5 Ų63.549%0.49231%0.31SS..SBendtrans-106.2126.4-177.5-58.7177.5000108.5K38 D39 I40I36-K38 HydrophobicContact CG2-CB 4.14Å; I36-K38 PolarHBondContact O-N 2.93Å; I36-D39 PolarHBondContact O-N 3.26Å; I36-I40 WeakPolarHBondContact O-CG1 3.5Å; I36-I40 PolarHBondContact O-N 3.45Å; I36-I40 VanDerWaalsContact O-N 3.11Å
37E97.9Very high97.7Very high72 Ų7266 Ų6634%0.33632%0.321SS..Hα-helixtrans-55.3-38.6-175.3-69.587.8165.500112.9D39 I40 A41 V60E37-D39 VanDerWaalsContact C-N 3.31Å; E37-D39 PolarHBondContact O-N 3.34Å; E37-I40 PolarHBondContact O-N 3.08Å; E37-A41 WeakPolarHBondContact O-CB 3.4Å; E37-A41 PolarHBondContact O-N 3.25Å; E37-V60 HydrophobicContact CB-CB 4.2Å; E37-V60 HydrophobicContact CB-CG1 4.01Å; E37-V60 HydrophobicContact CG-CG1 3.97Å
38K98.1Very high97.7Very high151 Ų15166.2 Ų66.266%0.65732%0.321SS*.Hα-helixtrans-57.6-43.5175.9-173.4-163.466.9164.30112I36 A42I36-K38 HydrophobicContact CG2-CB 4.14Å; I36-K38 PolarHBondContact O-N 2.93Å; K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 2.86Å
39D98.5Very high97.7Very high54 Ų5465.4 Ų65.429%0.28932%0.315SS..Hα-helixtrans-76.2-35.4-176-60.3-23.3000110.9Y34 I36 E37 A42 Y43Y34-D39 HydrophobicContact CD1-CB 4.03Å; Y34-D39 HydrophobicContact CG-CB 4.08Å; I36-D39 PolarHBondContact O-N 3.26Å; E37-D39 VanDerWaalsContact C-N 3.31Å; E37-D39 PolarHBondContact O-N 3.34Å; D39-A42 PolarHBondContact O-N 3.4Å; D39-Y43 WeakPolarHBondContact O-CB 3.45Å; D39-Y43 PolarHBondContact O-N 3.15Å
40I98.7Very high97.8Very high8 Ų869.3 Ų69.34%0.04133%0.331CS..Hα-helixtrans-59.8-51.6170.8-61.8166.9000109.9A30 M31 I36 E37 A42 Y43 I44 V60A30-I40 HydrophobicContact CB-CB 4.49Å; A30-I40 HydrophobicContact CB-CG2 3.76Å; M31-I40 HydrophobicContact CG-CD1 4.21Å; M31-I40 HydrophobicContact CG-CG2 4.23Å; I36-I40 WeakPolarHBondContact O-CG1 3.5Å; I36-I40 PolarHBondContact O-N 3.45Å; I36-I40 VanDerWaalsContact O-N 3.11Å; E37-I40 PolarHBondContact O-N 3.08Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.81Å; I40-Y43 PolarHBondContact O-N 2.96Å; I40-I44 HydrophobicContact CG2-CD1 3.87Å; I40-I44 WeakPolarHBondContact O-CG1 3.31Å; I40-I44 PolarHBondContact O-N 2.62Å; I40-V60 HydrophobicContact CB-CG1 4.44Å; I40-V60 HydrophobicContact CG2-CG1 4.17Å; I40-V60 HydrophobicContact CG2-CG2 4.04Å
41A98.8Very high97.8Very high12 Ų1274.9 Ų74.910%0.09936%0.355CS..Hα-helixtrans-60.3-43.5179.400000112E37 Y43 I44 K45 C58 V60E37-A41 WeakPolarHBondContact O-CB 3.4Å; E37-A41 PolarHBondContact O-N 3.25Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 2.96Å; A41-I44 PolarHBondContact O-N 2.69Å; A41-K45 VanDerWaalsContact O-CB 3.28Å; A41-K45 WeakPolarHBondContact O-CB 3.35Å; A41-K45 PolarHBondContact O-N 2.71Å; A41-C58 HydrophobicContact CB-CB 4.28Å; A41-C58 WeakPolarHBondContact O-CB 3.46Å; A41-V60 HydrophobicContact CB-CB 4.19Å; A41-V60 HydrophobicContact CB-CG2 3.73Å
42A98.8Very high97.9Very high54 Ų5475.8 Ų75.845%0.44636%0.358SS..Hα-helixtrans-62.5-39.917800000112.3K38 D39 I40 K46K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 2.86Å; D39-A42 PolarHBondContact O-N 3.4Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.81Å; A42-K46 VanDerWaalsContact O-CB 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.32Å; A42-K46 PolarHBondContact O-N 3.44Å
43Y98.8Very high98.1Very high33 Ų3375.7 Ų75.713%0.12936%0.361CS..Hα-helixtrans-63.5-52.2175.9179.9-88.1000111.8A30 K33 Y34 D39 I40 A41 K45 K46 E47A30-Y43 HydrophobicContact CB-CD1 3.53Å; A30-Y43 HydrophobicContact CB-CE1 4.14Å; A30-Y43 HydrophobicContact CB-CG 4.19Å; K33-Y43 HydrophobicContact CD-CE2 4.24Å; K33-Y43 PolarHBondContact NZ-OH 2.9Å; Y34-Y43 AromaticContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CE2 4.35Å; Y34-Y43 AromaticContact CE2-CG 3.79Å; Y34-Y43 HydrophobicContact CE2-CG 3.79Å; D39-Y43 WeakPolarHBondContact O-CB 3.45Å; D39-Y43 PolarHBondContact O-N 3.15Å; I40-Y43 PolarHBondContact O-N 2.96Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 2.96Å; Y43-K45 VanDerWaalsContact C-N 3.35Å; Y43-K45 PolarHBondContact O-N 2.83Å; Y43-K46 PolarHBondContact O-N 3.06Å; Y43-E47 HydrophobicContact CD1-CG 4.29Å; Y43-E47 HydrophobicContact CE1-CG 3.94Å; Y43-E47 HydrophobicContact CE2-CG 4.44Å; Y43-E47 PolarHBondContact O-N 3.17Å
44I98.8Very high98.1Very high0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-59.4-48.3-178.6-62.3164.6000110.2A27 A30 I40 A41 K46 E47 F48 V60 I85 L87A27-I44 HydrophobicContact CB-CD1 3.72Å; A27-I44 HydrophobicContact CB-CG1 4.38Å; A30-I44 HydrophobicContact CB-CD1 4.3Å; A30-I44 HydrophobicContact CB-CG1 3.88Å; I40-I44 HydrophobicContact CG2-CD1 3.87Å; I40-I44 WeakPolarHBondContact O-CG1 3.31Å; I40-I44 PolarHBondContact O-N 2.62Å; A41-I44 PolarHBondContact O-N 2.69Å; I44-K46 VanDerWaalsContact C-N 3.34Å; I44-K46 PolarHBondContact O-N 2.92Å; I44-E47 PolarHBondContact O-N 3.4Å; I44-F48 HydrophobicContact CG2-CD2 4.14Å; I44-F48 HydrophobicContact CG2-CE2 4.5Å; I44-F48 WeakPolarHBondContact O-CB 3.47Å; I44-F48 PolarHBondContact O-N 3.43Å; I44-V60 HydrophobicContact CD1-CG2 4.34Å; I44-I85 HydrophobicContact CD1-CG2 4.12Å; I44-L87 HydrophobicContact CG2-CD1 4.05Å; I44-L87 HydrophobicContact CG2-CD2 3.85Å; I44-L87 HydrophobicContact CG2-CG 4.5Å
45K98.8Very high98.2Very high63 Ų6372.8 Ų72.827%0.27436%0.364SS..Hα-helixtrans-53.3-50.4175.9179.2-172.6-176.1-400111.5A41 Y43 E47 F48 D49 W56 C58A41-K45 VanDerWaalsContact O-CB 3.28Å; A41-K45 WeakPolarHBondContact O-CB 3.35Å; A41-K45 PolarHBondContact O-N 2.71Å; Y43-K45 VanDerWaalsContact C-N 3.35Å; Y43-K45 PolarHBondContact O-N 2.83Å; K45-E47 PolarHBondContact O-N 2.89Å; K45-F48 PolarHBondContact O-N 3.25Å; K45-D49 IonicContact NZ-OD1 3.8Å; K45-D49 IonicContact NZ-OD2 2.62Å; K45-D49 PolarHBondContact NZ-OD2 2.95Å; K45-D49 WeakPolarHBondContact O-CB 3.35Å; K45-D49 VanDerWaalsContact O-CG 3.31Å; K45-D49 PolarHBondContact O-N 2.98Å; K45-W56 WeakPolarHBondContact CD-O 3.44Å; K45-W56 WeakPolarHBondContact CE-O 3.33Å; K45-W56 HydrophobicContact CG-CB 4.46Å; K45-W56 VanDerWaalsContact CG-O 3.28Å; K45-W56 WeakPolarHBondContact CG-O 3.22Å; K45-W56 PolarHBondContact NZ-O 3Å; K45-W56 VanDerWaalsContact NZ-O 3.09Å; K45-C58 HydrophobicContact CB-CB 4.1Å
46K98.8Very high98.4Very high147 Ų14765.4 Ų65.464%0.63932%0.324SS*.Hα-helixtrans-63.2-41.8-176.5-177.3179.6176.8-177.30112.2A42 Y43 I44 K50A42-K46 VanDerWaalsContact O-CB 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.32Å; A42-K46 PolarHBondContact O-N 3.44Å; Y43-K46 PolarHBondContact O-N 3.06Å; I44-K46 VanDerWaalsContact C-N 3.34Å; I44-K46 PolarHBondContact O-N 2.92Å; K46-K50 WeakPolarHBondContact O-CB 3.33Å; K46-K50 PolarHBondContact O-N 2.86Å; K46-K50 VanDerWaalsContact O-N 3.08Å
47E98.8Very high98.5Very high64 Ų6464 Ų6430%0.29932%0.315SS..Hα-helixtrans-67.9-39.3177.7-69.1-56.3118.800111.6Y43 I44 K45 K50 K51Y43-E47 HydrophobicContact CD1-CG 4.29Å; Y43-E47 HydrophobicContact CE1-CG 3.94Å; Y43-E47 HydrophobicContact CE2-CG 4.44Å; Y43-E47 PolarHBondContact O-N 3.17Å; I44-E47 PolarHBondContact O-N 3.4Å; K45-E47 PolarHBondContact O-N 2.89Å; E47-K50 PolarHBondContact O-N 3.38Å; E47-K51 WeakPolarHBondContact O-CB 3.47Å; E47-K51 PolarHBondContact O-N 2.83Å
48F98.7Very high98.5Very high4 Ų461.5 Ų61.52%0.01831%0.306CS..Hα-helixtrans-69.6-39.9176-93.2-104.9000113.2M19 D22 A23 C26 I44 K45 K50 K51 Y52 W56 L87M19-F48 HydrophobicContact CG-CE1 4.06Å; D22-F48 HydrophobicContact CB-CZ 4.41Å; A23-F48 VanDerWaalsContact CA-CZ 3.44Å; A23-F48 HydrophobicContact CB-CE1 4.41Å; A23-F48 HydrophobicContact CB-CE2 4.18Å; A23-F48 HydrophobicContact CB-CZ 3.59Å; C26-F48 HydrophobicContact CB-CE2 4.03Å; I44-F48 HydrophobicContact CG2-CD2 4.14Å; I44-F48 HydrophobicContact CG2-CE2 4.5Å; I44-F48 WeakPolarHBondContact O-CB 3.47Å; I44-F48 PolarHBondContact O-N 3.43Å; K45-F48 PolarHBondContact O-N 3.25Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.11Å; F48-K51 PolarHBondContact O-N 3.46Å; F48-Y52 AromaticContact CD1-CD2 3.43Å; F48-Y52 HydrophobicContact CD1-CD2 3.43Å; F48-Y52 VanDerWaalsContact CD1-CD2 3.43Å; F48-Y52 AromaticContact CD1-CE2 3.73Å; F48-Y52 HydrophobicContact CD1-CE2 3.73Å; F48-Y52 AromaticContact CE1-CD2 3.68Å; F48-Y52 HydrophobicContact CE1-CD2 3.68Å; F48-Y52 AromaticContact CE1-CE2 3.48Å; F48-Y52 HydrophobicContact CE1-CE2 3.48Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.48Å; F48-Y52 HydrophobicContact CG-CD2 4.06Å; F48-Y52 HydrophobicContact CG-CE2 4.36Å; F48-Y52 HydrophobicContact CZ-CD2 4.46Å; F48-Y52 AromaticContact CZ-CE2 3.91Å; F48-Y52 HydrophobicContact CZ-CE2 3.91Å; F48-Y52 PolarHBondContact O-N 3.06Å; F48-W56 HydrophobicContact CB-CB 4.19Å; F48-W56 HydrophobicContact CB-CD2 3.83Å; F48-W56 HydrophobicContact CB-CE3 4.35Å; F48-W56 HydrophobicContact CB-CG 3.74Å; F48-W56 AromaticContact CD1-CD2 3.88Å; F48-W56 HydrophobicContact CD1-CD2 3.88Å; F48-W56 AromaticContact CD1-CE2 3.84Å; F48-W56 AromaticContact CD1-CE3 3.84Å; F48-W56 HydrophobicContact CD1-CE3 3.84Å; F48-W56 AromaticContact CD1-CH2 3.71Å; F48-W56 HydrophobicContact CD1-CH2 3.71Å; F48-W56 AromaticContact CD1-CZ2 3.75Å; F48-W56 HydrophobicContact CD1-CZ2 3.75Å; F48-W56 AromaticContact CD1-CZ3 3.76Å; F48-W56 HydrophobicContact CD1-CZ3 3.76Å; F48-W56 HydrophobicContact CE1-CH2 4.07Å; F48-W56 HydrophobicContact CE1-CZ2 4.42Å; F48-W56 HydrophobicContact CE1-CZ3 4.23Å; F48-W56 HydrophobicContact CG-CD2 4.31Å; F48-W56 HydrophobicContact CG-CE3 4.44Å; F48-W56 PolarHBondContact O-NE1 2.83Å; F48-L87 HydrophobicContact CD1-CD2 3.67Å; F48-L87 HydrophobicContact CD1-CG 4.43Å; F48-L87 HydrophobicContact CD2-CD2 3.78Å; F48-L87 HydrophobicContact CE1-CD2 3.62Å; F48-L87 HydrophobicContact CE2-CD2 3.74Å; F48-L87 HydrophobicContact CG-CD1 4.41Å; F48-L87 HydrophobicContact CG-CD2 3.76Å; F48-L87 HydrophobicContact CZ-CD2 3.67Å
49D98.6Very high98.6Very high31 Ų3157.2 Ų57.217%0.16629%0.289CS..Hα-helixtrans-56.9-42.8171.1-77.9-26.2000111.1K45 N53 P54 W56K45-D49 IonicContact NZ-OD1 3.8Å; K45-D49 IonicContact NZ-OD2 2.62Å; K45-D49 PolarHBondContact NZ-OD2 2.95Å; K45-D49 WeakPolarHBondContact O-CB 3.35Å; K45-D49 VanDerWaalsContact O-CG 3.31Å; K45-D49 PolarHBondContact O-N 2.98Å; D49-N53 CarbonylContact O-C 3.3Å; D49-N53 VanDerWaalsContact O-C 3.3Å; D49-N53 WeakPolarHBondContact O-CA 3.32Å; D49-N53 PolarHBondContact O-N 2.82Å; D49-P54 HydrophobicContact CB-CB 4.33Å; D49-P54 WeakPolarHBondContact OD1-CA 3.36Å; D49-W56 WeakPolarHBondContact OD1-CB 3.49Å; D49-W56 PolarHBondContact OD1-N 2.78Å
50K98.6Very high98.6Very high168 Ų16855.4 Ų55.473%0.7328%0.281SS*.Hα-helixtrans-69.6-41.2179.9-176.9-176.9174.2-169.10112.4K46 E47 F48K46-K50 WeakPolarHBondContact O-CB 3.33Å; K46-K50 PolarHBondContact O-N 2.86Å; K46-K50 VanDerWaalsContact O-N 3.08Å; E47-K50 PolarHBondContact O-N 3.38Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.11Å
51K98.6Very high98.5Very high117 Ų11755.6 Ų55.651%0.50928%0.284SS..Hα-helixtrans-85.2-36.6-173.7-173.9169.9174.6177.30113.4D22 E47 F48D22-K51 IonicContact OD1-NZ 2.71Å; D22-K51 PolarHBondContact OD1-NZ 3.29Å; D22-K51 WeakPolarHBondContact OD2-CE 3.09Å; D22-K51 IonicContact OD2-NZ 2.69Å; D22-K51 PolarHBondContact OD2-NZ 2.95Å; E47-K51 WeakPolarHBondContact O-CB 3.47Å; E47-K51 PolarHBondContact O-N 2.83Å; F48-K51 PolarHBondContact O-N 3.46Å
52Y98.2Very high98.4Very high40 Ų4062 Ų6216%0.15731%0.306CS..Hα-helixtrans-122.719.7-171.6-56.4-73000113.9M19 D22 F48 W56M19-Y52 HydrophobicContact CE-CD1 3.73Å; M19-Y52 HydrophobicContact CE-CE1 3.76Å; M19-Y52 HydrophobicContact CE-CG 4.29Å; M19-Y52 HydrophobicContact CG-CE1 4.22Å; M19-Y52 HydrophobicContact CG-CE2 4.13Å; D22-Y52 WeakPolarHBondContact CB-OH 3.44Å; D22-Y52 VanDerWaalsContact CG-OH 3.27Å; D22-Y52 PolarHBondContact OD2-OH 3.37Å; F48-Y52 AromaticContact CD1-CD2 3.43Å; F48-Y52 HydrophobicContact CD1-CD2 3.43Å; F48-Y52 VanDerWaalsContact CD1-CD2 3.43Å; F48-Y52 AromaticContact CD1-CE2 3.73Å; F48-Y52 HydrophobicContact CD1-CE2 3.73Å; F48-Y52 AromaticContact CE1-CD2 3.68Å; F48-Y52 HydrophobicContact CE1-CD2 3.68Å; F48-Y52 AromaticContact CE1-CE2 3.48Å; F48-Y52 HydrophobicContact CE1-CE2 3.48Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.48Å; F48-Y52 HydrophobicContact CG-CD2 4.06Å; F48-Y52 HydrophobicContact CG-CE2 4.36Å; F48-Y52 HydrophobicContact CZ-CD2 4.46Å; F48-Y52 AromaticContact CZ-CE2 3.91Å; F48-Y52 HydrophobicContact CZ-CE2 3.91Å; F48-Y52 PolarHBondContact O-N 3.06Å; Y52-W56 HydrophobicContact CD2-CZ2 4.25Å; Y52-W56 HydrophobicContact CG-CZ2 4.18Å
53N97.8Very high98.1Very high116 Ų11667 Ų6762%0.6233%0.325SS*.  trans65.9145.1-176.6-48.2-72.2000113.3D49 W56 K89D49-N53 CarbonylContact O-C 3.3Å; D49-N53 VanDerWaalsContact O-C 3.3Å; D49-N53 WeakPolarHBondContact O-CA 3.32Å; D49-N53 PolarHBondContact O-N 2.82Å; N53-W56 PolarHBondContact O-NE1 3.38Å; N53-K89 PolarHBondContact O-NZ 3.09Å
54P98Very high98Very high84 Ų8468.3 Ų68.355%0.54533%0.331SS..SBendtrans-68.3161.8176.329.6-35.6000112.4D49 K89D49-P54 HydrophobicContact CB-CB 4.33Å; D49-P54 WeakPolarHBondContact OD1-CA 3.36Å; P54-K89 VanDerWaalsContact C-NZ 3.31Å; P54-K89 PolarHBondContact O-NZ 2.75Å
55T97.7Very high97.8Very high59 Ų5972 Ų7236%0.36237%0.37SS..  cis-111.9116.13.8-54.70000111.8K89 S90T55-K89 WeakPolarHBondContact O-CG 3.28Å; T55-S90 PolarHBondContact O-N 3.08Å
56W98.8Very high97.7Very high0 Ų072 Ų720%038%0.378CS..EExtended strand (participates in β ladder)trans-88152.2170.7-69.781.9000111.2M15 M19 K45 F48 D49 Y52 N53 H74 L87 F88 K89M15-W56 HydrophobicContact CE-CH2 4.02Å; M15-W56 HydrophobicContact CE-CZ3 4.06Å; M19-W56 HydrophobicContact SD-CH2 3.77Å; M19-W56 HydrophobicContact SD-CZ2 4.24Å; K45-W56 WeakPolarHBondContact CD-O 3.44Å; K45-W56 WeakPolarHBondContact CE-O 3.33Å; K45-W56 HydrophobicContact CG-CB 4.46Å; K45-W56 VanDerWaalsContact CG-O 3.28Å; K45-W56 WeakPolarHBondContact CG-O 3.22Å; K45-W56 PolarHBondContact NZ-O 3Å; K45-W56 VanDerWaalsContact NZ-O 3.09Å; F48-W56 HydrophobicContact CB-CB 4.19Å; F48-W56 HydrophobicContact CB-CD2 3.83Å; F48-W56 HydrophobicContact CB-CE3 4.35Å; F48-W56 HydrophobicContact CB-CG 3.74Å; F48-W56 AromaticContact CD1-CD2 3.88Å; F48-W56 HydrophobicContact CD1-CD2 3.88Å; F48-W56 AromaticContact CD1-CE2 3.84Å; F48-W56 AromaticContact CD1-CE3 3.84Å; F48-W56 HydrophobicContact CD1-CE3 3.84Å; F48-W56 AromaticContact CD1-CH2 3.71Å; F48-W56 HydrophobicContact CD1-CH2 3.71Å; F48-W56 AromaticContact CD1-CZ2 3.75Å; F48-W56 HydrophobicContact CD1-CZ2 3.75Å; F48-W56 AromaticContact CD1-CZ3 3.76Å; F48-W56 HydrophobicContact CD1-CZ3 3.76Å; F48-W56 HydrophobicContact CE1-CH2 4.07Å; F48-W56 HydrophobicContact CE1-CZ2 4.42Å; F48-W56 HydrophobicContact CE1-CZ3 4.23Å; F48-W56 HydrophobicContact CG-CD2 4.31Å; F48-W56 HydrophobicContact CG-CE3 4.44Å; F48-W56 PolarHBondContact O-NE1 2.83Å; D49-W56 WeakPolarHBondContact OD1-CB 3.49Å; D49-W56 PolarHBondContact OD1-N 2.78Å; Y52-W56 HydrophobicContact CD2-CZ2 4.25Å; Y52-W56 HydrophobicContact CG-CZ2 4.18Å; N53-W56 PolarHBondContact O-NE1 3.38Å; W56-H74 HydrophobicContact CH2-CB 3.83Å; W56-H74 AromaticContact CH2-CD2 3.91Å; W56-H74 HydrophobicContact CZ2-CB 4.3Å; W56-H74 AromaticContact CZ2-CD2 3.7Å; W56-H74 HydrophobicContact CZ3-CB 4.31Å; W56-L87 HydrophobicContact CB-CD1 4.44Å; W56-L87 HydrophobicContact CE3-CD1 3.74Å; W56-L87 HydrophobicContact CE3-CD2 4.41Å; W56-L87 HydrophobicContact CE3-CG 3.75Å; W56-L87 HydrophobicContact CZ3-CD1 4.44Å; W56-L87 HydrophobicContact CZ3-CD2 4.4Å; W56-L87 HydrophobicContact CZ3-CG 3.94Å; W56-F88 CarbonylContact C-O 3.59Å; W56-F88 WeakPolarHBondContact CA-O 3.19Å; W56-K89 HydrophobicContact CD2-CB 4.08Å; W56-K89 HydrophobicContact CD2-CG 4.42Å; W56-K89 HydrophobicContact CE3-CB 4.18Å; W56-K89 HydrophobicContact CZ2-CB 4.39Å; W56-K89 HydrophobicContact CZ3-CB 4.39Å
57H98.8Very high97.6Very high66 Ų6675.9 Ų75.931%0.30639%0.39SS..EExtended strand (participates in β ladder)trans-127.8137.2175.5-59.4-90.1000108L87 F88 S90H57-L87 WeakPolarHBondContact O-CA 3.49Å; H57-L87 WeakPolarHBondContact O-CD1 3.37Å; H57-F88 HydrophobicContact CB-CD1 4.25Å; H57-F88 HydrophobicContact CB-CD2 4.2Å; H57-F88 HydrophobicContact CB-CE1 3.77Å; H57-F88 HydrophobicContact CB-CE2 3.71Å; H57-F88 HydrophobicContact CB-CG 4.45Å; H57-F88 HydrophobicContact CB-CZ 3.47Å; H57-F88 VanDerWaalsContact CB-CZ 3.47Å; H57-F88 AromaticContact CD2-CE2 3.87Å; H57-F88 AromaticContact CG-CE2 3.91Å; H57-F88 PolarHBondContact N-O 2.75Å; H57-F88 PolarHBondContact O-N 2.75Å; H57-S90 PolarHBondContact NE2-O 2.62Å
58C98.8Very high97.4Very high20 Ų2075.1 Ų75.114%0.13539%0.389CS..EExtended strand (participates in β ladder)trans-133132.3180-170.50000109.9A41 K45 L86 L87A41-C58 HydrophobicContact CB-CB 4.28Å; A41-C58 WeakPolarHBondContact O-CB 3.46Å; K45-C58 HydrophobicContact CB-CB 4.1Å; C58-L86 CarbonylContact C-O 3.57Å; C58-L86 WeakPolarHBondContact CA-O 3.22Å; C58-L87 HydrophobicContact CB-CD1 3.97Å
59I98.8Very high97.3Very high61 Ų6180.4 Ų80.431%0.31342%0.422SS..EExtended strand (participates in β ladder)trans-120.4130.3173-60.9161.3000107.3F64 I85 L86 F88I59-F64 HydrophobicContact CB-CZ 4.49Å; I59-F64 HydrophobicContact CG2-CD1 4.09Å; I59-F64 HydrophobicContact CG2-CD2 4.1Å; I59-F64 HydrophobicContact CG2-CE1 3.97Å; I59-F64 HydrophobicContact CG2-CE2 4.01Å; I59-F64 HydrophobicContact CG2-CG 4.15Å; I59-F64 HydrophobicContact CG2-CZ 3.93Å; I59-I85 WeakPolarHBondContact O-CA 3.33Å; I59-L86 HydrophobicContact CB-CB 4.29Å; I59-L86 HydrophobicContact CD1-CD2 3.93Å; I59-L86 PolarHBondContact N-O 2.81Å; I59-L86 PolarHBondContact O-N 2.97Å; I59-F88 HydrophobicContact CD1-CE1 4.31Å
60V98.7Very high97.3Very high17 Ų1781.9 Ų81.910%0.10343%0.428CS..EExtended strand (participates in β ladder)trans-127.2131.5177.4179.10000108.1E37 I40 A41 I44 V83 A84 I85E37-V60 HydrophobicContact CB-CB 4.2Å; E37-V60 HydrophobicContact CB-CG1 4.01Å; E37-V60 HydrophobicContact CG-CG1 3.97Å; I40-V60 HydrophobicContact CB-CG1 4.44Å; I40-V60 HydrophobicContact CG2-CG1 4.17Å; I40-V60 HydrophobicContact CG2-CG2 4.04Å; A41-V60 HydrophobicContact CB-CB 4.19Å; A41-V60 HydrophobicContact CB-CG2 3.73Å; I44-V60 HydrophobicContact CD1-CG2 4.34Å; V60-V83 HydrophobicContact CG1-CG1 3.47Å; V60-V83 VanDerWaalsContact CG1-CG1 3.47Å; V60-A84 WeakPolarHBondContact CA-O 3.31Å; V60-I85 HydrophobicContact CG2-CG1 4.29Å; V60-I85 HydrophobicContact CG2-CG2 4.44Å
61G97.8Very high97.2Very high11 Ų1176.9 Ų76.911%0.11341%0.407CS..EExtended strand (participates in β ladder)trans-179159.7179.400000113.3A84G61-A84 PolarHBondContact N-O 3.18Å; G61-A84 WeakPolarHBondContact O-CB 3.49Å; G61-A84 PolarHBondContact O-N 3.38Å
62R95.5Very high97.1Very high146 Ų14676.4 Ų76.455%0.55141%0.414SS*.SBendtrans-77-36.7175.5-61.9-176.2-171.5-166.91.5112.2V83R62-V83 HydrophobicContact CG-CG2 4.42Å
63N92.8Very high97.1Very high159 Ų15981.4 Ų81.485%0.8544%0.437SS*.SBendtrans-141.5113.5-178.4-61.8-56.7000109.5
64F96.9Very high97.2Very high61 Ų6178.2 Ų78.227%0.26842%0.418SS..  trans-153155.4169.462.1-95.2000110.2I59 Y77 A84 L86I59-F64 HydrophobicContact CB-CZ 4.49Å; I59-F64 HydrophobicContact CG2-CD1 4.09Å; I59-F64 HydrophobicContact CG2-CD2 4.1Å; I59-F64 HydrophobicContact CG2-CE1 3.97Å; I59-F64 HydrophobicContact CG2-CE2 4.01Å; I59-F64 HydrophobicContact CG2-CG 4.15Å; I59-F64 HydrophobicContact CG2-CZ 3.93Å; F64-Y77 HydrophobicContact CE2-CE2 4.3Å; F64-Y77 AromaticContact CZ-CE2 3.89Å; F64-Y77 HydrophobicContact CZ-CE2 3.89Å; F64-A84 HydrophobicContact CE1-CB 3.7Å; F64-A84 HydrophobicContact CZ-CB 4Å; F64-L86 HydrophobicContact CE2-CB 4.07Å; F64-L86 HydrophobicContact CE2-CD2 4.15Å; F64-L86 HydrophobicContact CZ-CB 3.94Å
65G95.5Very high97.2Very high78 Ų7875.2 Ų75.280%0.80440%0.396SS*.  trans-109.4145.9162.300000108.9
66S94.9Very high97.3Very high63 Ų6372.4 Ų72.444%0.44138%0.379SS..  trans-139.5136.8179.758.20000110.3L86S66-L86 WeakPolarHBondContact OG-CD2 3.23Å
67Y96.8Very high97.3Very high228 Ų22874.7 Ų74.789%0.89439%0.388SS*.  trans-126107.8166.7-169-75.2000106.6
68V95.6Very high97.3Very high48 Ų4871.6 Ų71.629%0.29137%0.374SS..  trans-133143.3-173.2-59.90000110.1F75 F88V68-F75 HydrophobicContact CG2-CE2 4.26Å; V68-F88 HydrophobicContact CB-CE1 4.29Å; V68-F88 HydrophobicContact CB-CE2 4.04Å; V68-F88 HydrophobicContact CB-CZ 3.89Å; V68-F88 HydrophobicContact CG1-CE1 4.01Å; V68-F88 HydrophobicContact CG1-CE2 4.34Å; V68-F88 HydrophobicContact CG1-CZ 3.7Å; V68-F88 HydrophobicContact CG2-CD1 4.17Å; V68-F88 HydrophobicContact CG2-CD2 4.36Å; V68-F88 HydrophobicContact CG2-CE1 4.08Å; V68-F88 HydrophobicContact CG2-CE2 4.28Å; V68-F88 HydrophobicContact CG2-CG 4.31Å; V68-F88 HydrophobicContact CG2-CZ 4.14Å
69T96.8Very high97.2Very high115 Ų11573.8 Ų73.871%0.70638%0.38SS*.  trans-93.7139.8164.4-540000107.7
70H97.6Very high97.1Very high62 Ų6271 Ų7129%0.28737%0.365SS..  trans-141161.8-17861.481.2000111F75 F88 K89H70-F75 HydrophobicContact CB-CD2 4.42Å; H70-F75 AromaticContact CD2-CD2 3.28Å; H70-F75 WeakPolarHBondContact CD2-CD2 3.36Å; H70-F75 AromaticContact CD2-CE2 3.9Å; H70-F75 AromaticContact CD2-CG 3.86Å; H70-F75 AromaticContact CE1-CG 3.86Å; H70-F75 AromaticContact CG-CD2 3.74Å; H70-F75 AromaticContact NE2-CD2 3.52Å; H70-F75 AromaticContact NE2-CG 3.66Å; H70-F88 HydrophobicContact CB-CB 3.92Å; H70-F88 HydrophobicContact CB-CD2 3.91Å; H70-F88 HydrophobicContact CB-CG 4.29Å; H70-K89 CarbonylContact C-O 3.52Å; H70-K89 WeakPolarHBondContact CA-O 2.93Å; H70-K89 WeakPolarHBondContact CB-O 3.46Å
71E97.7Very high96.8Very high63 Ų6372.3 Ų72.329%0.29438%0.383SS..  trans-66.2148169.7-67.7174-132.800110.7K89E71-K89 HydrophobicContact CB-CB 4.48Å; E71-K89 PolarHBondContact N-O 3.33Å; E71-K89 WeakPolarHBondContact OE1-CD 3.43Å; E71-K89 VanDerWaalsContact OE1-CE 3.23Å; E71-K89 WeakPolarHBondContact OE1-CE 3.37Å; E71-K89 WeakPolarHBondContact OE1-CG 3.38Å; E71-K89 WeakPolarHBondContact OE2-CD 3.37Å; E71-K89 WeakPolarHBondContact OE2-CE 3.47Å
72T97.1Very high96.6Very high108 Ų10879 Ų7966%0.66341%0.411SS*.THydrogen-bonded Turntrans-62.9145.5175.5570000110.7H74T72-H74 PolarHBondContact O-N 3.32Å; T72-H74 PolarHBondContact O-ND1 2.98Å
73K98.2Very high96.6Very high144 Ų14472.8 Ų72.863%0.62639%0.389SS*.THydrogen-bonded Turntrans64.516.3177.1-54.3-177.3177.3-179.50115.6D14 M15D14-K73 VanDerWaalsContact CG-N 3.32Å; D14-K73 CarbonylContact O-C 3.59Å; D14-K73 WeakPolarHBondContact O-CA 3.28Å; D14-K73 PolarHBondContact OD1-N 2.82Å; D14-K73 PolarHBondContact OD2-N 2.87Å; M15-K73 WeakPolarHBondContact CA-O 3.43Å; M15-K73 WeakPolarHBondContact CB-O 3.33Å
74H98.5Very high96.9Very high49 Ų4965.2 Ų65.223%0.22735%0.349CS..  trans-135.947.7179.8-59.291000112.1D14 W56 T72 F88 K89D14-H74 PolarHBondContact O-N 3.01Å; W56-H74 HydrophobicContact CH2-CB 3.83Å; W56-H74 AromaticContact CH2-CD2 3.91Å; W56-H74 HydrophobicContact CZ2-CB 4.3Å; W56-H74 AromaticContact CZ2-CD2 3.7Å; W56-H74 HydrophobicContact CZ3-CB 4.31Å; T72-H74 PolarHBondContact O-N 3.32Å; T72-H74 PolarHBondContact O-ND1 2.98Å; H74-F88 CarbonylContact O-C 3.59Å; H74-F88 WeakPolarHBondContact O-CA 3.44Å; H74-K89 HydrophobicContact CB-CB 3.46Å; H74-K89 VanDerWaalsContact CB-CB 3.46Å; H74-K89 HydrophobicContact CB-CD 4.2Å; H74-K89 HydrophobicContact CB-CG 4.5Å; H74-K89 PolarHBondContact O-N 3.19Å
75F98.7Very high96.9Very high21 Ų2162.4 Ų62.49%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-137.6135.2179.3174.6-82.6000112.3N12 A13 D14 V68 H70 L86 F88N12-F75 HydrophobicContact CB-CE1 4.12Å; A13-F75 CarbonylContact C-O 3.55Å; A13-F75 WeakPolarHBondContact CA-O 3.37Å; D14-F75 CarbonylContact C-O 3.58Å; D14-F75 HydrophobicContact CB-CB 4.36Å; D14-F75 PolarHBondContact N-O 3.41Å; D14-F75 PolarHBondContact O-N 2.9Å; V68-F75 HydrophobicContact CG2-CE2 4.26Å; H70-F75 HydrophobicContact CB-CD2 4.42Å; H70-F75 AromaticContact CD2-CD2 3.28Å; H70-F75 WeakPolarHBondContact CD2-CD2 3.36Å; H70-F75 AromaticContact CD2-CE2 3.9Å; H70-F75 AromaticContact CD2-CG 3.86Å; H70-F75 AromaticContact CE1-CG 3.86Å; H70-F75 AromaticContact CG-CD2 3.74Å; H70-F75 AromaticContact NE2-CD2 3.52Å; H70-F75 AromaticContact NE2-CG 3.66Å; F75-L86 HydrophobicContact CD2-CD1 4.21Å; F75-L86 HydrophobicContact CE2-CD1 3.41Å; F75-L86 VanDerWaalsContact CE2-CD1 3.41Å; F75-L86 HydrophobicContact CZ-CD1 3.64Å; F75-F88 HydrophobicContact CB-CB 4.43Å; F75-F88 HydrophobicContact CD2-CB 3.73Å; F75-F88 HydrophobicContact CG-CB 4.49Å
76I98.8Very high97.1Very high0 Ų058.8 Ų58.80%030%0.298CS..EExtended strand (participates in β ladder)trans-147.4139.4170.4-169179.4000111.4A13 M15 Q20 A23 F78 L87A13-I76 HydrophobicContact CB-CB 4.45Å; A13-I76 HydrophobicContact CB-CG1 4.01Å; M15-I76 HydrophobicContact CE-CB 3.92Å; M15-I76 HydrophobicContact CE-CG2 3.81Å; M15-I76 HydrophobicContact CG-CB 4.46Å; M15-I76 HydrophobicContact SD-CB 3.76Å; M15-I76 HydrophobicContact SD-CD1 4.32Å; M15-I76 HydrophobicContact SD-CG2 3.92Å; Q20-I76 HydrophobicContact CB-CD1 3.9Å; Q20-I76 HydrophobicContact CG-CD1 3.93Å; A23-I76 HydrophobicContact CB-CD1 4.19Å; A23-I76 HydrophobicContact CB-CG2 4.04Å; I76-F78 HydrophobicContact CD1-CD1 3.82Å; I76-F78 HydrophobicContact CD1-CE1 4.2Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.38Å; I76-F78 HydrophobicContact CG2-CE1 4.29Å; I76-L87 HydrophobicContact CG2-CB 3.86Å; I76-L87 HydrophobicContact CG2-CD2 4.3Å; I76-L87 HydrophobicContact CG2-CG 4.44Å; I76-L87 PolarHBondContact N-O 3.06Å; I76-L87 PolarHBondContact O-N 2.91Å
77Y98.7Very high97.3Very high48 Ų4855.8 Ų55.819%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-130.4120.8171.3178.7-132.2000110.2K11 N12 F64 Y79 A84 I85 L86K11-Y77 HydrophobicContact CB-CD1 3.61Å; K11-Y77 HydrophobicContact CB-CE1 3.98Å; K11-Y77 HydrophobicContact CB-CG 4.39Å; K11-Y77 HydrophobicContact CG-CD1 4.21Å; K11-Y77 HydrophobicContact CG-CE1 4.14Å; K11-Y77 PolarHBondContact N-O 3.13Å; N12-Y77 PolarHBondContact N-O 2.83Å; N12-Y77 VanDerWaalsContact N-O 3.13Å; N12-Y77 PolarHBondContact O-N 3.33Å; F64-Y77 HydrophobicContact CE2-CE2 4.3Å; F64-Y77 AromaticContact CZ-CE2 3.89Å; F64-Y77 HydrophobicContact CZ-CE2 3.89Å; Y77-Y79 HydrophobicContact CE1-CE2 4.27Å; Y77-Y79 AromaticContact CZ-CE2 3.81Å; Y77-Y79 WeakPolarHBondContact OH-CE2 3.34Å; Y77-Y79 PolarHBondContact OH-OH 3.46Å; Y77-A84 HydrophobicContact CE2-CB 3.65Å; Y77-I85 WeakPolarHBondContact CA-O 3.21Å; Y77-I85 WeakPolarHBondContact CD2-O 3.07Å; Y77-L86 HydrophobicContact CD2-CB 3.94Å
78F98.5Very high97.4Very high1 Ų145.6 Ų45.60%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-149.2163.2-176.867.1-77.8000112.3A8 V9 I10 A23 V24 A27 I76 L80 A84 I85A8-F78 HydrophobicContact CB-CD2 4.19Å; V9-F78 CarbonylContact O-C 3.5Å; V9-F78 VanDerWaalsContact O-CA 3.28Å; V9-F78 WeakPolarHBondContact O-CA 3.49Å; V9-F78 WeakPolarHBondContact O-CB 3.35Å; I10-F78 HydrophobicContact CB-CB 4.48Å; I10-F78 HydrophobicContact CG1-CB 4.19Å; A23-F78 HydrophobicContact CB-CE1 4.3Å; V24-F78 HydrophobicContact CB-CE2 4.49Å; V24-F78 HydrophobicContact CG2-CD2 4.1Å; V24-F78 HydrophobicContact CG2-CE2 3.9Å; V24-F78 HydrophobicContact CG2-CZ 4.29Å; A27-F78 HydrophobicContact CB-CE2 4.09Å; A27-F78 HydrophobicContact CB-CZ 3.7Å; I76-F78 HydrophobicContact CD1-CD1 3.82Å; I76-F78 HydrophobicContact CD1-CE1 4.2Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.38Å; I76-F78 HydrophobicContact CG2-CE1 4.29Å; F78-L80 HydrophobicContact CD2-CG 4.05Å; F78-L80 HydrophobicContact CE2-CD1 3.79Å; F78-L80 HydrophobicContact CE2-CD2 4.35Å; F78-L80 HydrophobicContact CE2-CG 3.7Å; F78-A84 WeakPolarHBondContact O-CA 3.42Å; F78-I85 HydrophobicContact CD1-CB 4.22Å; F78-I85 HydrophobicContact CD2-CD1 4.37Å; F78-I85 HydrophobicContact CE1-CB 3.79Å; F78-I85 HydrophobicContact CE1-CG2 3.74Å; F78-I85 HydrophobicContact CE2-CB 4.28Å; F78-I85 HydrophobicContact CE2-CD1 4.01Å; F78-I85 HydrophobicContact CE2-CG1 4.46Å; F78-I85 HydrophobicContact CZ-CB 3.83Å; F78-I85 HydrophobicContact CZ-CD1 4.35Å; F78-I85 HydrophobicContact CZ-CG1 4.3Å; F78-I85 HydrophobicContact CZ-CG2 3.9Å; F78-I85 PolarHBondContact N-O 3.05Å; F78-I85 PolarHBondContact O-N 2.97Å
79Y97.8Very high97.5Very high67 Ų6744.2 Ų44.226%0.26323%0.228SC..EExtended strand (participates in β ladder)trans-107.9137.9172.4-77.7-97.4000111.2A8 V9 K11 Y77 V83 A84A8-Y79 CarbonylContact C-O 2.85Å; A8-Y79 WeakPolarHBondContact CA-O 3.43Å; V9-Y79 PolarHBondContact N-O 3.26Å; V9-Y79 PolarHBondContact O-N 3.42Å; K11-Y79 HydrophobicContact CD-CD2 4.32Å; K11-Y79 HydrophobicContact CG-CD2 3.73Å; K11-Y79 HydrophobicContact CG-CE2 3.92Å; Y77-Y79 HydrophobicContact CE1-CE2 4.27Å; Y77-Y79 AromaticContact CZ-CE2 3.81Å; Y77-Y79 WeakPolarHBondContact OH-CE2 3.34Å; Y77-Y79 PolarHBondContact OH-OH 3.46Å; Y79-V83 WeakPolarHBondContact CA-O 3.48Å; Y79-A84 HydrophobicContact CD1-CB 3.85Å; Y79-A84 HydrophobicContact CD2-CB 4.45Å; Y79-A84 HydrophobicContact CE1-CB 3.47Å; Y79-A84 VanDerWaalsContact CE1-CB 3.47Å; Y79-A84 HydrophobicContact CE2-CB 4.13Å; Y79-A84 HydrophobicContact CG-CB 4.33Å
80L95.8Very high97.5Very high2 Ų240.8 Ų40.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-113.498.8162.4-74.2173.8000108.8R6 A8 V24 A27 M31 F78 Q82 V83 I85R6-L80 WeakPolarHBondContact O-CD2 3.35Å; A8-L80 HydrophobicContact CB-CD2 3.79Å; V24-L80 HydrophobicContact CG1-CD2 4.47Å; A27-L80 HydrophobicContact CB-CD1 3.62Å; M31-L80 HydrophobicContact SD-CB 3.94Å; M31-L80 HydrophobicContact SD-CD1 4.12Å; F78-L80 HydrophobicContact CD2-CG 4.05Å; F78-L80 HydrophobicContact CE2-CD1 3.79Å; F78-L80 HydrophobicContact CE2-CD2 4.35Å; F78-L80 HydrophobicContact CE2-CG 3.7Å; L80-Q82 PolarHBondContact O-N 3.48Å; L80-V83 PolarHBondContact N-O 3.02Å; L80-V83 PolarHBondContact O-N 3.33Å; L80-I85 HydrophobicContact CB-CD1 3.96Å; L80-I85 HydrophobicContact CD1-CD1 4.01Å; L80-I85 HydrophobicContact CG-CD1 4.02Å
81G92.8Very high97Very high45 Ų4543.7 Ų43.746%0.46426%0.255SS..THydrogen-bonded Turntrans63.4-118.8-168.500000111.1
82Q92.9Very high97Very high152 Ų15242.7 Ų42.771%0.7125%0.253SS*.THydrogen-bonded Turntrans-98.22.8-178.9-62.8-179-0.700113.6L80L80-Q82 PolarHBondContact O-N 3.48Å
83V96.4Very high97Very high15 Ų1539.3 Ų39.39%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-104.1126.3-179-1790000108.3M31 V60 R62 Y79 L80 I85M31-V83 HydrophobicContact CE-CB 4.1Å; M31-V83 HydrophobicContact CE-CG2 3.84Å; V60-V83 HydrophobicContact CG1-CG1 3.47Å; V60-V83 VanDerWaalsContact CG1-CG1 3.47Å; R62-V83 HydrophobicContact CG-CG2 4.42Å; Y79-V83 WeakPolarHBondContact CA-O 3.48Å; L80-V83 PolarHBondContact N-O 3.02Å; L80-V83 PolarHBondContact O-N 3.33Å; V83-I85 HydrophobicContact CG1-CD1 4.41Å; V83-I85 WeakPolarHBondContact O-CD1 3.28Å
84A98.1Very high96.9Very high0 Ų033.4 Ų33.40%021%0.21CC..EExtended strand (participates in β ladder)trans-90.4139.7173.700000109.6V60 G61 F64 Y77 F78 Y79V60-A84 WeakPolarHBondContact CA-O 3.31Å; G61-A84 PolarHBondContact N-O 3.18Å; G61-A84 WeakPolarHBondContact O-CB 3.49Å; G61-A84 PolarHBondContact O-N 3.38Å; F64-A84 HydrophobicContact CE1-CB 3.7Å; F64-A84 HydrophobicContact CZ-CB 4Å; Y77-A84 HydrophobicContact CE2-CB 3.65Å; F78-A84 WeakPolarHBondContact O-CA 3.42Å; Y79-A84 HydrophobicContact CD1-CB 3.85Å; Y79-A84 HydrophobicContact CD2-CB 4.45Å; Y79-A84 HydrophobicContact CE1-CB 3.47Å; Y79-A84 VanDerWaalsContact CE1-CB 3.47Å; Y79-A84 HydrophobicContact CE2-CB 4.13Å; Y79-A84 HydrophobicContact CG-CB 4.33Å
85I98.7Very high96.8Very high1 Ų132.5 Ų32.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-124.2119177-58.790.2000107.1A27 I44 I59 V60 Y77 F78 L80 V83A27-I85 HydrophobicContact CB-CG1 4.37Å; I44-I85 HydrophobicContact CD1-CG2 4.12Å; I59-I85 WeakPolarHBondContact O-CA 3.33Å; V60-I85 HydrophobicContact CG2-CG1 4.29Å; V60-I85 HydrophobicContact CG2-CG2 4.44Å; Y77-I85 WeakPolarHBondContact CA-O 3.21Å; Y77-I85 WeakPolarHBondContact CD2-O 3.07Å; F78-I85 HydrophobicContact CD1-CB 4.22Å; F78-I85 HydrophobicContact CD2-CD1 4.37Å; F78-I85 HydrophobicContact CE1-CB 3.79Å; F78-I85 HydrophobicContact CE1-CG2 3.74Å; F78-I85 HydrophobicContact CE2-CB 4.28Å; F78-I85 HydrophobicContact CE2-CD1 4.01Å; F78-I85 HydrophobicContact CE2-CG1 4.46Å; F78-I85 HydrophobicContact CZ-CB 3.83Å; F78-I85 HydrophobicContact CZ-CD1 4.35Å; F78-I85 HydrophobicContact CZ-CG1 4.3Å; F78-I85 HydrophobicContact CZ-CG2 3.9Å; F78-I85 PolarHBondContact N-O 3.05Å; F78-I85 PolarHBondContact O-N 2.97Å; L80-I85 HydrophobicContact CB-CD1 3.96Å; L80-I85 HydrophobicContact CD1-CD1 4.01Å; L80-I85 HydrophobicContact CG-CD1 4.02Å; V83-I85 HydrophobicContact CG1-CD1 4.41Å; V83-I85 WeakPolarHBondContact O-CD1 3.28Å
86L98.8Very high96.7Very high2 Ų233.3 Ų33.31%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-111.9121171.4168.461.5000107.9C58 I59 F64 S66 F75 Y77 F88C58-L86 CarbonylContact C-O 3.57Å; C58-L86 WeakPolarHBondContact CA-O 3.22Å; I59-L86 HydrophobicContact CB-CB 4.29Å; I59-L86 HydrophobicContact CD1-CD2 3.93Å; I59-L86 PolarHBondContact N-O 2.81Å; I59-L86 PolarHBondContact O-N 2.97Å; F64-L86 HydrophobicContact CE2-CB 4.07Å; F64-L86 HydrophobicContact CE2-CD2 4.15Å; F64-L86 HydrophobicContact CZ-CB 3.94Å; S66-L86 WeakPolarHBondContact OG-CD2 3.23Å; F75-L86 HydrophobicContact CD2-CD1 4.21Å; F75-L86 HydrophobicContact CE2-CD1 3.41Å; F75-L86 VanDerWaalsContact CE2-CD1 3.41Å; F75-L86 HydrophobicContact CZ-CD1 3.64Å; Y77-L86 HydrophobicContact CD2-CB 3.94Å; L86-F88 HydrophobicContact CD1-CD1 4.13Å; L86-F88 HydrophobicContact CD2-CD1 4.41Å; L86-F88 HydrophobicContact CD2-CE1 4.32Å; L86-F88 HydrophobicContact CG-CD1 3.94Å; L86-F88 HydrophobicContact CG-CE1 4.23Å
87L98.9Very high96.6Very high0 Ų035.5 Ų35.50%023%0.23CC..EExtended strand (participates in β ladder)trans-131.2124.8-177.8176.166.4000108.8A23 I44 F48 W56 H57 C58 I76A23-L87 HydrophobicContact CB-CD2 4.07Å; I44-L87 HydrophobicContact CG2-CD1 4.05Å; I44-L87 HydrophobicContact CG2-CD2 3.85Å; I44-L87 HydrophobicContact CG2-CG 4.5Å; F48-L87 HydrophobicContact CD1-CD2 3.67Å; F48-L87 HydrophobicContact CD1-CG 4.43Å; F48-L87 HydrophobicContact CD2-CD2 3.78Å; F48-L87 HydrophobicContact CE1-CD2 3.62Å; F48-L87 HydrophobicContact CE2-CD2 3.74Å; F48-L87 HydrophobicContact CG-CD1 4.41Å; F48-L87 HydrophobicContact CG-CD2 3.76Å; F48-L87 HydrophobicContact CZ-CD2 3.67Å; W56-L87 HydrophobicContact CB-CD1 4.44Å; W56-L87 HydrophobicContact CE3-CD1 3.74Å; W56-L87 HydrophobicContact CE3-CD2 4.41Å; W56-L87 HydrophobicContact CE3-CG 3.75Å; W56-L87 HydrophobicContact CZ3-CD1 4.44Å; W56-L87 HydrophobicContact CZ3-CD2 4.4Å; W56-L87 HydrophobicContact CZ3-CG 3.94Å; H57-L87 WeakPolarHBondContact O-CA 3.49Å; H57-L87 WeakPolarHBondContact O-CD1 3.37Å; C58-L87 HydrophobicContact CB-CD1 3.97Å; I76-L87 HydrophobicContact CG2-CB 3.86Å; I76-L87 HydrophobicContact CG2-CD2 4.3Å; I76-L87 HydrophobicContact CG2-CG 4.44Å; I76-L87 PolarHBondContact N-O 3.06Å; I76-L87 PolarHBondContact O-N 2.91Å
88F98.8Very high96.4Very high15 Ų1534.6 Ų34.67%0.06623%0.233CC..EExtended strand (participates in β ladder)trans-151.3154.7-177.964.3-83.8000112W56 H57 I59 V68 H70 H74 F75 L86W56-F88 CarbonylContact C-O 3.59Å; W56-F88 WeakPolarHBondContact CA-O 3.19Å; H57-F88 HydrophobicContact CB-CD1 4.25Å; H57-F88 HydrophobicContact CB-CD2 4.2Å; H57-F88 HydrophobicContact CB-CE1 3.77Å; H57-F88 HydrophobicContact CB-CE2 3.71Å; H57-F88 HydrophobicContact CB-CG 4.45Å; H57-F88 HydrophobicContact CB-CZ 3.47Å; H57-F88 VanDerWaalsContact CB-CZ 3.47Å; H57-F88 AromaticContact CD2-CE2 3.87Å; H57-F88 AromaticContact CG-CE2 3.91Å; H57-F88 PolarHBondContact N-O 2.75Å; H57-F88 PolarHBondContact O-N 2.75Å; I59-F88 HydrophobicContact CD1-CE1 4.31Å; V68-F88 HydrophobicContact CB-CE1 4.29Å; V68-F88 HydrophobicContact CB-CE2 4.04Å; V68-F88 HydrophobicContact CB-CZ 3.89Å; V68-F88 HydrophobicContact CG1-CE1 4.01Å; V68-F88 HydrophobicContact CG1-CE2 4.34Å; V68-F88 HydrophobicContact CG1-CZ 3.7Å; V68-F88 HydrophobicContact CG2-CD1 4.17Å; V68-F88 HydrophobicContact CG2-CD2 4.36Å; V68-F88 HydrophobicContact CG2-CE1 4.08Å; V68-F88 HydrophobicContact CG2-CE2 4.28Å; V68-F88 HydrophobicContact CG2-CG 4.31Å; V68-F88 HydrophobicContact CG2-CZ 4.14Å; H70-F88 HydrophobicContact CB-CB 3.92Å; H70-F88 HydrophobicContact CB-CD2 3.91Å; H70-F88 HydrophobicContact CB-CG 4.29Å; H74-F88 CarbonylContact O-C 3.59Å; H74-F88 WeakPolarHBondContact O-CA 3.44Å; F75-F88 HydrophobicContact CB-CB 4.43Å; F75-F88 HydrophobicContact CD2-CB 3.73Å; F75-F88 HydrophobicContact CG-CB 4.49Å; L86-F88 HydrophobicContact CD1-CD1 4.13Å; L86-F88 HydrophobicContact CD2-CD1 4.41Å; L86-F88 HydrophobicContact CD2-CE1 4.32Å; L86-F88 HydrophobicContact CG-CD1 3.94Å; L86-F88 HydrophobicContact CG-CE1 4.23Å
89K98.7Very high96.3Very high18 Ų1837.2 Ų37.28%0.07825%0.251CS..EExtended strand (participates in β ladder)trans-99.3135174.5-164.1-170.6167.387.90110.5N53 P54 T55 W56 H70 E71 H74N53-K89 PolarHBondContact O-NZ 3.09Å; P54-K89 VanDerWaalsContact C-NZ 3.31Å; P54-K89 PolarHBondContact O-NZ 2.75Å; T55-K89 WeakPolarHBondContact O-CG 3.28Å; W56-K89 HydrophobicContact CD2-CB 4.08Å; W56-K89 HydrophobicContact CD2-CG 4.42Å; W56-K89 HydrophobicContact CE3-CB 4.18Å; W56-K89 HydrophobicContact CZ2-CB 4.39Å; W56-K89 HydrophobicContact CZ3-CB 4.39Å; H70-K89 CarbonylContact C-O 3.52Å; H70-K89 WeakPolarHBondContact CA-O 2.93Å; H70-K89 WeakPolarHBondContact CB-O 3.46Å; E71-K89 HydrophobicContact CB-CB 4.48Å; E71-K89 PolarHBondContact N-O 3.33Å; E71-K89 WeakPolarHBondContact OE1-CD 3.43Å; E71-K89 VanDerWaalsContact OE1-CE 3.23Å; E71-K89 WeakPolarHBondContact OE1-CE 3.37Å; E71-K89 WeakPolarHBondContact OE1-CG 3.38Å; E71-K89 WeakPolarHBondContact OE2-CD 3.37Å; E71-K89 WeakPolarHBondContact OE2-CE 3.47Å; H74-K89 HydrophobicContact CB-CB 3.46Å; H74-K89 VanDerWaalsContact CB-CB 3.46Å; H74-K89 HydrophobicContact CB-CD 4.2Å; H74-K89 HydrophobicContact CB-CG 4.5Å; H74-K89 PolarHBondContact O-N 3.19Å
90S96.6Very high96.1Very high44 Ų4434.7 Ų34.731%0.30825%0.25SS..  trans-158.8123.7175.4-179.70000109.5T55 H57T55-S90 PolarHBondContact O-N 3.08Å; H57-S90 PolarHBondContact NE2-O 2.62Å
91G87.3Confident96.2Very high122 Ų12237.6 Ų37.6100%1.25827%0.272SS*.  trans175.50175.900000112.3

Retrieved 91 of 91 residues in 133.6 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).