1XDM

structure of human aldolase b associated with hereditary fructose intolerance (a149p), at 291k

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: W-Z
  • Int. Res.: 34
  • Norm. En. per Res.: -3.8437
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-36.8995	-105.7762	-193.223	-335.8987	100	9	1	8735	4	23	34
A-C	0.0	0.0	-4.2317	-4.2317	12	0	0	250	0	0	0
A-D	-18.7762	-70.0112	-42.4124	-131.1998	40	3	0	2021	4	14	10
B-C	-9.4049	-64.1029	-46.2594	-119.7672	32	3	0	1916	4	10	7
B-D	0.0	0.0	-5.2149	-5.2149	12	1	0	271	0	0	0
B-Y	-8.5299	20.4176	-64.9363	-53.0486	52	0	1	2993	0	36	25
C-D	-18.7807	-121.245	-198.421	-338.4467	98	15	1	8958	6	23	34
W-X	-17.9209	-121.7652	-203.005	-342.6911	99	17	1	9049	6	23	34
W-Y	0.0	0.0	-6.8288	-6.8288	14	0	0	249	0	0	0
W-Z	-19.0825	-71.0308	-40.5713	-130.6846	34	3	0	1944	4	11	6
X-Y	-9.5238	-63.4782	-45.4843	-118.4863	32	2	0	1893	4	10	7
X-Z	0.0	0.0	-3.5048	-3.5048	11	0	0	242	0	0	0
Y-Z	-37.569	-106.2661	-192.771	-336.6061	99	9	1	8720	4	23	34

Interface residues

• A-B: ALA167A, ALA167B, ALA210A, ALA210B, ALA211A, ALA211B, ALA215A, ALA215B, ALA255A, ALA255B, ALA262A, ALA262B, ALA263A, ALA263B, ALA6A, ARG258A, ARG258B, ASN168B, ASN217A, ASN217B, ASP218A, ASP218B, GLN164A, GLN164B, GLN202A, GLN202B, GLN9A, GLN9B, GLU199A, GLU199B, GLU206A, GLU206B, GLU224A, GLU224B, GLY225A, GLY225B, HIS219B, HIS220A, HIS220B, HIS257A, HIS257B, ILE163A, ILE163B, LEU209A, LEU209B, LEU216B, LEU223A, LEU223B, LEU256A, LEU256B, LEU291A, LEU291B, LEU7A, LEU7B, LYS12A, LYS12B, LYS207A, LYS207B, LYS214A, LYS214B, LYS293A, LYS293B, MET250A, PRO261A, PRO261B, PRO265A, PRO265B, PRO292A, PRO292B, PRO294A, PRO294B, SER160A, SER160B, THR205A, THR205B, THR254A, THR254B, THR259A, THR259B, TRP295A, TRP295B, TYR203A, TYR203B, TYR213A, TYR213B, TYR222A, TYR222B, VAL204B, VAL208A, VAL208B, VAL212A, VAL212B, VAL221A, VAL221B, VAL253A, VAL253B, VAL260A, VAL260B, VAL264A, VAL264B
• A-C: GLN164C, ILE163C, LEU161A, LEU161C, LYS207A, LYS207C, SER159A, SER159C, SER160A, SER160C, TYR203A, TYR203C
• A-D: ALA162A, ALA162D, ALA167A, ALA169A, ALA169D, ALA171A, ALA171D, ALA215A, ALA215D, ARG172A, ARG172D, ASN166A, ASN166D, ASN168A, ASN168D, ASN217A, ASN217D, ASP128A, ASP128D, ASP218A, ASP218D, GLN164A, GLN164D, GLU165A, GLU165D, GLY126A, GLY129D, HIS219A, HIS219D, HIS220A, HIS220D, LEU127A, LEU161A, LEU161D, LEU216D, LYS214A, LYS214D, SER160D, TRP147A, TRP147D
• B-C: ALA162B, ALA169B, ALA169C, ALA171B, ALA171C, ALA215B, ALA215C, ARG133C, ARG172B, ARG172C, ASN166C, ASN168B, ASN168C, ASN217B, ASN217C, ASP128B, ASP218B, ASP218C, GLN164B, GLN164C, GLU165B, GLU165C, HIS219B, HIS219C, HIS220B, HIS220C, LEU161B, LEU161C, LYS214B, LYS214C, SER159C, TRP147C
• B-D: ALA162B, GLN164B, GLN164D, LEU161B, LEU161D, LYS207B, LYS207D, SER159B, SER159D, SER160B, SER160D, TYR203D
• B-Y: ALA317B, ALA317Y, ALA318B, ALA318Y, ARG56B, ARG56Y, ASN319B, ASN319Y, ASN50B, ASN50Y, ASN54B, ASN54Y, ASP87B, ASP87Y, GLN57B, GLN57Y, GLN89B, GLN89Y, GLU321B, GLU321Y, GLU49B, GLU49Y, GLU52B, GLU52Y, GLU53B, GLU53Y, GLU60B, GLU60Y, GLY314B, GLY314Y, GLY315B, GLY315Y, GLY90B, GLY90Y, LYS316B, LYS316Y, LYS320B, LYS320Y, LYS47B, LYS47Y, LYS86B, LYS86Y, LYS91B, LYS91Y, SER88B, SER88Y, THR51B, THR51Y, TRP313B, TRP313Y, VAL48B, VAL48Y
• C-D: ALA167C, ALA167D, ALA210C, ALA210D, ALA211C, ALA211D, ALA215C, ALA215D, ALA255C, ALA255D, ALA262C, ALA262D, ALA263C, ALA263D, ARG258C, ARG258D, ASN217C, ASN217D, ASP218C, ASP218D, GLN164C, GLN164D, GLN202C, GLN202D, GLN20C, GLN9C, GLN9D, GLU199C, GLU199D, GLU206C, GLU206D, GLU224C, GLU224D, GLY225C, GLY225D, HIS219C, HIS219D, HIS220C, HIS220D, HIS257C, HIS257D, ILE163C, ILE163D, LEU209C, LEU209D, LEU223C, LEU223D, LEU256C, LEU256D, LEU291C, LEU291D, LEU7D, LYS12C, LYS12D, LYS207C, LYS207D, LYS214C, LYS214D, LYS293C, LYS293D, MET250C, MET250D, PRO261C, PRO261D, PRO265C, PRO265D, PRO292C, PRO292D, PRO294C, PRO294D, SER160C, SER160D, THR205C, THR205D, THR254C, THR254D, THR259C, THR259D, TRP295C, TRP295D, TYR203C, TYR203D, TYR213C, TYR213D, TYR222C, TYR222D, VAL208C, VAL208D, VAL212C, VAL212D, VAL221C, VAL221D, VAL253C, VAL253D, VAL260C, VAL260D, VAL264C, VAL264D
• W-X: ALA167W, ALA167X, ALA210W, ALA210X, ALA211W, ALA211X, ALA215W, ALA215X, ALA255W, ALA255X, ALA262W, ALA262X, ALA263W, ALA263X, ARG258W, ARG258X, ASN217W, ASN217X, ASP218W, ASP218X, GLN164W, GLN164X, GLN202W, GLN202X, GLN20X, GLN9X, GLU199W, GLU199X, GLU206W, GLU206X, GLU224W, GLU224X, GLY225W, GLY225X, HIS219W, HIS219X, HIS220W, HIS220X, HIS257W, HIS257X, ILE163W, ILE163X, LEU209W, LEU209X, LEU216X, LEU223W, LEU223X, LEU256W, LEU256X, LEU291W, LEU291X, LEU7W, LEU7X, LYS12W, LYS12X, LYS207W, LYS207X, LYS214W, LYS214X, LYS293W, LYS293X, MET250W, MET250X, PRO261W, PRO261X, PRO265W, PRO265X, PRO292W, PRO292X, PRO294W, PRO294X, SER160W, SER16W, THR205W, THR205X, THR254W, THR254X, THR259W, THR259X, TRP295W, TRP295X, TYR203W, TYR203X, TYR213W, TYR213X, TYR222W, TYR222X, VAL208W, VAL208X, VAL212W, VAL212X, VAL221W, VAL221X, VAL253W, VAL253X, VAL260W, VAL260X, VAL264W, VAL264X
• W-Y: ALA162W, GLN164W, GLN164Y, LEU161W, LEU161Y, LYS207W, LYS207Y, PRO158W, SER159W, SER159Y, SER160W, SER160Y, TYR203W, TYR203Y
• W-Z: ALA162W, ALA162Z, ALA167Z, ALA169W, ALA169Z, ALA171W, ALA171Z, ALA215W, ALA215Z, ARG172W, ARG172Z, ASN166W, ASN166Z, ASN168W, ASN168Z, ASN217W, ASN217Z, ASP128Z, ASP218W, ASP218Z, GLN164W, GLN164Z, GLU165W, GLU165Z, GLY129W, HIS219W, HIS219Z, HIS220W, HIS220Z, LEU161W, LEU161Z, LYS214W, LYS214Z, TRP147W
• X-Y: ALA162Y, ALA169X, ALA169Y, ALA171X, ALA171Y, ALA215X, ALA215Y, ARG133X, ARG172X, ARG172Y, ASN166X, ASN168X, ASN168Y, ASN217X, ASN217Y, ASP128Y, ASP218X, ASP218Y, GLN164X, GLN164Y, GLU165X, GLU165Y, HIS219X, HIS219Y, HIS220X, HIS220Y, LEU161X, LEU161Y, LYS214X, LYS214Y, SER175Y, TRP147X
• X-Z: GLN164X, LEU161X, LEU161Z, LYS207X, LYS207Z, SER159X, SER159Z, SER160X, SER160Z, TYR203X, TYR203Z
• Y-Z: ALA167Y, ALA167Z, ALA210Y, ALA210Z, ALA211Y, ALA211Z, ALA215Y, ALA215Z, ALA255Y, ALA255Z, ALA262Y, ALA262Z, ALA263Y, ALA263Z, ARG258Y, ARG258Z, ASN168Y, ASN217Y, ASN217Z, ASP218Y, ASP218Z, GLN164Y, GLN164Z, GLN202Y, GLN202Z, GLN9Y, GLN9Z, GLU199Y, GLU199Z, GLU206Y, GLU206Z, GLU224Y, GLU224Z, GLY225Y, GLY225Z, HIS219Y, HIS220Y, HIS220Z, HIS257Y, HIS257Z, ILE163Y, ILE163Z, LEU209Y, LEU209Z, LEU216Y, LEU223Y, LEU223Z, LEU256Y, LEU256Z, LEU291Y, LEU291Z, LEU7Y, LEU7Z, LYS12Y, LYS12Z, LYS207Y, LYS207Z, LYS214Y, LYS214Z, LYS293Y, LYS293Z, MET250Z, PRO261Y, PRO261Z, PRO265Y, PRO265Z, PRO292Y, PRO292Z, PRO294Y, PRO294Z, SER160Y, SER160Z, THR205Y, THR205Z, THR254Y, THR254Z, THR259Y, THR259Z, TRP295Y, TRP295Z, TYR203Y, TYR203Z, TYR213Y, TYR213Z, TYR222Y, TYR222Z, VAL204Y, VAL208Y, VAL208Z, VAL212Y, VAL212Z, VAL221Y, VAL221Z, VAL253Y, VAL253Z, VAL260Y, VAL260Z, VAL264Y, VAL264Z