3CS2

crystal structure of pte g60a mutant

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: K-P
  • Int. Res.: 120
  • Norm. En. per Res.: -5.6494
• 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	-78.9534	-152.53	-438.172	-669.6553	120	15	7	14867	9	26	28
A-K	-23.6116	0.9402	-138.892	-161.5634	78	3	2	5479	0	15	23
A-P	0.0	-5.7391	-1.2903	-7.0294	17	0	0	266	0	4	6
K-P	-79.2805	-158.4602	-440.188	-677.9287	120	14	7	14969	9	27	28

Interface residues

• A-B: ALA60A, ALA60B, ALA63A, ALA63B, ALA68A, ALA68B, ARG108A, ARG108B, ARG139A, ARG139B, ARG141A, ARG141B, ARG152A, ARG152B, ARG67A, ARG67B, ARG76A, ARG76B, ASN312A, ASN312B, ASP105A, ASP105B, ASP133A, ASP133B, ASP160A, ASP160B, GLN148A, GLN148B, GLU144A, GLU144B, GLU145A, GLU145B, GLU153A, GLU153B, GLU159A, GLU159B, GLU71A, GLU71B, GLY107A, GLY107B, GLY157A, GLY157B, GLY64A, GLY64B, ILE106A, ILE106B, ILE158A, ILE158B, ILE313A, ILE313B, LEU130A, LEU130B, LEU136A, LEU136B, LEU140A, LEU140B, LEU146A, LEU146B, LEU66A, LEU66B, MET138A, MET138B, PHE104A, PHE104B, PHE132A, PHE132B, PHE149A, PHE149B, PHE150A, PHE150B, PHE179A, PHE179B, PHE306A, PHE306B, PHE65A, PHE65B, PHE72A, PHE72B, PHE73A, PHE73B, PRO134A, PRO134B, PRO135A, PRO135B, PRO70A, PRO70B, SER137A, SER137B, SER142A, SER142B, SER267A, SER307A, SER307B, SER308A, SER308B, SER61A, SER61B, SER62A, SER62B, SER75A, SER75B, THR128B, THR147A, THR147B, THR161A, THR161B, THR311A, THR311B, TRP131A, TRP131B, TRP69A, TRP69B, TYR156A, TYR156B, TYR309A, TYR309B, VAL143A, VAL143B, VAL310A, VAL310B
• A-K: ALA190K, ALA193K, ALA326A, ALA347A, ALA364K, ALA49A, ALA90A, ALA92A, ALA93A, ARG118K, ARG152K, ARG164K, ARG189K, ARG331A, ARG337A, ARG363K, ARG36K, ARG41K, ARG85A, ARG88A, ARG89A, ARG91A, ARG96A, ASN38K, ASP121A, ASP160K, ASP323A, ASP35K, GLN148K, GLN155K, GLN343A, GLU153K, GLU159K, GLU338A, GLU344A, GLU48A, GLY157K, GLY162K, GLY195K, GLY34K, GLY42K, GLY50A, GLY94A, ILE154K, ILE158K, ILE163K, ILE328A, ILE333A, LEU151K, LEU192K, LEU330A, LEU346A, LEU362K, LEU87A, PHE149K, PHE150K, PHE335A, PHE51A, PRO322A, PRO329A, PRO334A, PRO342A, PRO360K, PRO43K, SER191K, THR147K, THR161K, THR194K, THR350A, THR361K, THR52A, THR97A, TYR156K, VAL196K, VAL341A, VAL351A, VAL84A, VAL95A
• A-P: ALA347A, ALA68P, ARG67P, ARG76P, GLN343A, GLU344A, GLU71P, GLY74P, LYS294A, LYS77P, MET293A, PRO70P, SER47A, SER75P, THR352A, TRP69P, VAL351A
• K-P: ALA60K, ALA60P, ALA63K, ALA63P, ALA68K, ALA68P, ARG108K, ARG108P, ARG139K, ARG139P, ARG141K, ARG141P, ARG152K, ARG152P, ARG67K, ARG67P, ARG76K, ARG76P, ASN312K, ASN312P, ASP105K, ASP105P, ASP133K, ASP133P, ASP160K, ASP160P, GLN148K, GLN148P, GLU144K, GLU144P, GLU145K, GLU145P, GLU153K, GLU153P, GLU159K, GLU159P, GLU71K, GLU71P, GLY107K, GLY107P, GLY157K, GLY157P, GLY64K, GLY64P, ILE106K, ILE106P, ILE158K, ILE158P, ILE313K, ILE313P, LEU130K, LEU130P, LEU136K, LEU136P, LEU140K, LEU140P, LEU146K, LEU146P, LEU66K, LEU66P, MET138K, MET138P, PHE104K, PHE104P, PHE132K, PHE132P, PHE149K, PHE149P, PHE150K, PHE150P, PHE179K, PHE179P, PHE306K, PHE306P, PHE65K, PHE65P, PHE72K, PHE72P, PHE73K, PHE73P, PRO134K, PRO134P, PRO135K, PRO135P, PRO70K, PRO70P, SER137K, SER137P, SER142K, SER142P, SER267K, SER307K, SER307P, SER308K, SER308P, SER61K, SER61P, SER62K, SER62P, SER75K, SER75P, THR147K, THR147P, THR161K, THR161P, THR173P, THR311K, THR311P, TRP131K, TRP131P, TRP69K, TRP69P, TYR156K, TYR156P, TYR309K, TYR309P, VAL143K, VAL143P, VAL310K, VAL310P