3CMC

thioacylenzyme intermediate of bacillus stearothermophilus phosphorylating gapdh

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: Q-R
  • Int. Res.: 178
  • Norm. En. per Res.: -6.1094
• Hub Node: O(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
O-P	-144.2447	-235.4277	-693.711	-1073.3834	176	25	15	25617	28	57	45
O-Q	0.0	-12.0342	-85.976	-98.0102	49	1	2	3573	0	24	24
O-R	-51.6559	-35.7596	-370.192	-457.6076	118	16	10	15219	6	45	46
P-Q	-57.4335	-35.6714	-380.817	-473.9219	118	13	12	15224	6	46	48
P-R	0.0	-9.7332	-79.5284	-89.2616	50	2	2	3465	0	24	24
Q-R	-167.9026	-229.7028	-689.864	-1087.4694	178	37	15	25592	28	57	45

Interface residues

• O-P: ALA196O, ALA196P, ALA198O, ALA198P, ALA199O, ALA199P, ALA200O, ALA200P, ALA211O, ALA211P, ALA229O, ALA229P, ALA244O, ALA244P, ALA294O, ALA294P, ARG169O, ARG169P, ARG194O, ARG194P, ARG195O, ARG195P, ARG197O, ARG197P, ARG231O, ARG231P, ARG281O, ARG281P, ASN226O, ASN226P, ASN236O, ASN236P, ASN313O, ASN313P, ASP186O, ASP186P, ASP192O, ASP192P, ASP241O, ASP241P, ASP282O, ASP282P, ASP293O, ASP293P, ASP301O, ASP301P, GLN182O, GLN182P, GLU201O, GLU201P, GLU245O, GLU245P, GLU275O, GLU275P, GLU276O, GLU276P, GLY170O, GLY170P, GLY223O, GLY223P, GLY227O, GLY227P, GLY302O, GLY302P, HIS176O, HIS176P, ILE167O, ILE167P, ILE203O, ILE203P, ILE204O, ILE204P, ILE300O, ILE300P, LEU193O, LEU193P, LEU225O, LEU225P, LEU242O, LEU242P, LEU246O, LEU246P, LEU278O, LEU278P, LEU295O, LEU295P, LYS212O, LYS212P, LYS224O, LYS224P, LYS303O, LYS303P, LYS306O, LYS306P, MET171O, MET171P, MET172O, MET172P, MET228O, MET228P, MET230O, MET230P, MET298O, MET298P, MET304O, MET304P, PRO205O, PRO205P, PRO233O, PRO233P, PRO235O, PRO235P, PRO277O, PRO277P, SER177O, SER177P, SER202O, SER202P, SER238O, SER238P, SER274O, SER274P, SER280O, SER280P, SER296O, SER296P, SER309O, SER309P, THR173O, THR173P, THR174O, THR174P, THR206O, THR206P, THR207O, THR207P, THR208O, THR208P, THR234O, THR234P, THR297O, THR297P, TRP310O, TRP310P, TYR178O, TYR178P, TYR283O, TYR283P, TYR311O, TYR311P, VAL168O, VAL168P, VAL175O, VAL175P, VAL232O, VAL232P, VAL237O, VAL237P, VAL239O, VAL239P, VAL240O, VAL240P, VAL243O, VAL243P, VAL252O, VAL252P, VAL279O, VAL279P, VAL299O, VAL299P, VAL305O, VAL305P, VAL307O, VAL307P, VAL308O, VAL308P
• O-Q: ALA200O, ALA200Q, ARG281O, ARG281Q, ARG52O, ARG52Q, ASN284O, ASN284Q, ASP282O, ASP282Q, ASP47O, ASP47Q, GLU201O, GLU201Q, GLU275Q, GLU276O, GLU276Q, GLY51O, GLY51Q, HIS42O, HIS42Q, HIS50O, HIS50Q, LEU278O, LEU278Q, LEU295O, LEU295Q, LYS45O, LYS45Q, PRO235O, PRO235Q, PRO277O, PRO277Q, SER274O, SER274Q, SER280O, SER280Q, SER48O, SER48Q, THR234O, THR234Q, TYR283O, TYR283Q, TYR46O, TYR46Q, VAL279O, VAL279Q, VAL49O, VAL49Q
• O-R: ALA196O, ALA196R, ALA198O, ALA198R, ALA199O, ALA199R, ALA200O, ALA200R, ALA41O, ALA41R, ARG10O, ARG10R, ARG13O, ARG13R, ARG183O, ARG183R, ARG194O, ARG194R, ARG195O, ARG195R, ARG197O, ARG197R, ARG231O, ARG231R, ARG281O, ARG281R, ARG52O, ARG52R, ASN180O, ASN180R, ASN236O, ASN236R, ASN313O, ASN313R, ASN38O, ASN38R, ASP181O, ASP181R, ASP186O, ASP186R, ASP192O, ASP192R, ASP32O, ASP32R, ASP36O, ASP36R, ASP47O, ASP47R, GLN182O, GLN182R, GLU201O, GLU201R, GLU314O, GLU314R, GLY51O, GLY51R, GLY9O, GLY9R, HIS176O, HIS176R, HIS190O, HIS190R, HIS42O, HIS42R, HIS50O, HIS50R, ILE184O, ILE184R, ILE204O, ILE204R, LEU185O, LEU185R, LEU187O, LEU187R, LEU193O, LEU193R, LEU33O, LEU33R, LEU40O, LEU40R, LEU43O, LEU43R, LEU44O, LEU44R, LYS191O, LYS191R, LYS45O, LYS45R, PHE8O, PHE8R, PRO188O, PRO188R, PRO233O, PRO233R, PRO235O, PRO235R, SER177O, SER177R, SER202O, SER202R, SER48O, SER48R, THR179O, THR179R, THR234O, THR234R, THR34O, THR34R, THR39O, THR39R, TYR178O, TYR178R, TYR46O, TYR46R, VAL237O, VAL237R, VAL49O, VAL49R
• P-Q: ALA196P, ALA196Q, ALA198P, ALA198Q, ALA199P, ALA199Q, ALA200P, ALA200Q, ALA41P, ALA41Q, ARG10P, ARG10Q, ARG13P, ARG13Q, ARG183P, ARG183Q, ARG194P, ARG194Q, ARG195P, ARG195Q, ARG197P, ARG197Q, ARG231P, ARG231Q, ARG281P, ARG281Q, ARG52P, ARG52Q, ASN180P, ASN180Q, ASN236P, ASN236Q, ASN313P, ASN313Q, ASN38P, ASN38Q, ASP181P, ASP181Q, ASP186P, ASP186Q, ASP192P, ASP192Q, ASP32P, ASP32Q, ASP36P, ASP36Q, ASP47P, ASP47Q, GLN182P, GLN182Q, GLU201P, GLU201Q, GLU314P, GLU314Q, GLY51P, GLY51Q, GLY9P, GLY9Q, HIS176P, HIS176Q, HIS190P, HIS190Q, HIS42P, HIS42Q, HIS50P, HIS50Q, ILE184P, ILE184Q, ILE204P, ILE204Q, LEU185P, LEU185Q, LEU187P, LEU187Q, LEU193P, LEU193Q, LEU33P, LEU33Q, LEU40P, LEU40Q, LEU43P, LEU43Q, LEU44P, LEU44Q, LYS191P, LYS191Q, LYS45P, LYS45Q, PHE8P, PHE8Q, PRO188P, PRO188Q, PRO233P, PRO233Q, PRO235P, PRO235Q, SER177P, SER177Q, SER202P, SER202Q, SER48P, SER48Q, THR179P, THR179Q, THR234P, THR234Q, THR34P, THR34Q, THR39P, THR39Q, TYR178P, TYR178Q, TYR46P, TYR46Q, VAL237P, VAL237Q, VAL49P, VAL49Q
• P-R: ALA200P, ALA200R, ARG281P, ARG281R, ARG52P, ARG52R, ASN284P, ASN284R, ASP282P, ASP282R, ASP47P, ASP47R, GLU201P, GLU201R, GLU275P, GLU276P, GLU276R, GLY51P, GLY51R, HIS42P, HIS42R, HIS50P, HIS50R, LEU278P, LEU278R, LEU295P, LEU295R, LYS45P, LYS45R, PRO235P, PRO235R, PRO277P, PRO277R, SER274P, SER274R, SER280P, SER280R, SER48P, SER48R, THR234P, THR234R, TYR178P, TYR283P, TYR283R, TYR46P, TYR46R, VAL279P, VAL279R, VAL49P, VAL49R
• Q-R: ALA196Q, ALA196R, ALA198Q, ALA198R, ALA199Q, ALA199R, ALA200Q, ALA200R, ALA211Q, ALA211R, ALA229Q, ALA229R, ALA244Q, ALA244R, ALA294Q, ALA294R, ARG169Q, ARG169R, ARG194Q, ARG194R, ARG195Q, ARG195R, ARG197Q, ARG197R, ARG231Q, ARG231R, ARG281Q, ARG281R, ASN226Q, ASN226R, ASN236Q, ASN236R, ASN284Q, ASN284R, ASN313Q, ASN313R, ASP186Q, ASP186R, ASP192Q, ASP192R, ASP241Q, ASP241R, ASP282Q, ASP282R, ASP293Q, ASP293R, ASP301Q, ASP301R, GLN182Q, GLN182R, GLU201Q, GLU201R, GLU245Q, GLU245R, GLU275Q, GLU275R, GLU276Q, GLU276R, GLY170Q, GLY170R, GLY223Q, GLY223R, GLY227Q, GLY227R, GLY302Q, GLY302R, HIS176Q, HIS176R, ILE167Q, ILE167R, ILE203Q, ILE203R, ILE204Q, ILE204R, ILE300Q, ILE300R, LEU193Q, LEU193R, LEU225Q, LEU225R, LEU242Q, LEU242R, LEU246Q, LEU246R, LEU278Q, LEU278R, LEU295Q, LEU295R, LYS212Q, LYS212R, LYS224Q, LYS224R, LYS303Q, LYS303R, LYS306Q, LYS306R, MET171Q, MET171R, MET172Q, MET172R, MET228Q, MET228R, MET230Q, MET230R, MET298Q, MET298R, MET304Q, MET304R, PRO205Q, PRO205R, PRO233Q, PRO233R, PRO235Q, PRO235R, PRO277Q, PRO277R, SER177Q, SER177R, SER202Q, SER202R, SER238Q, SER238R, SER274Q, SER274R, SER280Q, SER280R, SER296Q, SER296R, SER309Q, SER309R, THR173Q, THR173R, THR174Q, THR174R, THR206Q, THR206R, THR207Q, THR207R, THR208Q, THR208R, THR234Q, THR234R, THR297Q, THR297R, TRP310Q, TRP310R, TYR178Q, TYR178R, TYR283Q, TYR283R, TYR311Q, TYR311R, VAL168Q, VAL168R, VAL175Q, VAL175R, VAL232Q, VAL232R, VAL237Q, VAL237R, VAL239Q, VAL239R, VAL240Q, VAL240R, VAL243Q, VAL243R, VAL252Q, VAL252R, VAL279Q, VAL279R, VAL299Q, VAL299R, VAL305Q, VAL305R, VAL307Q, VAL307R, VAL308Q, VAL308R