3CMV

mechanism of homologous recombination from the reca- ssdna/dsdna structures

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 92
  • Norm. En. per Res.: -2.5984
• 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	-49.8178	-144.8575	-230.819	-425.4943	192	24	2	13688	5	78	73
A-C	0.0	0.0	-0.3695	-0.3695	18	0	0	98	0	0	0
A-D	0.0	-0.991	-220.116	-221.107	121	22	0	8604	2	20	25
B-C	0.0	-15.9	-206.746	-222.646	123	33	0	8483	4	20	26
B-D	0.0	0.0	-0.5439	-0.5439	20	0	0	151	0	0	1
C-D	-47.8327	-157.914	-215.368	-421.1147	173	16	1	12138	11	78	71
C-E	0.0	-5.7781	-14.5827	-20.3608	39	0	1	1035	0	10	14
C-F	-6.3431	-7.7506	-55.6969	-69.7906	121	17	1	4904	1	60	58
D-E	0.0	-10.1996	-8.9263	-19.1259	32	0	0	677	2	17	11
D-F	-5.6731	-14.5494	-4.9283	-25.1508	56	12	1	2152	1	24	23
E-F	-26.0738	-142.8725	-70.1052	-239.0515	92	14	1	4941	2	33	29
E-H	0.0	-18.5817			23
F-G	0.0	-18.9527			22
G-H	-47.1254	-176.825			39

Interface residues

• A-B: ALA230A, ALA230B, ALA289A, ALA289B, ALA3081A, ALA3081B, ALA3082A, ALA3082B, ALA3083A, ALA3083B, ALA3098B, ALA3104A, ALA3104B, ALA3167A, ALA3167B, ALA3168B, ALA3307A, ARG226A, ARG226B, ARG227A, ARG227B, ARG243A, ARG243B, ARG3085A, ARG3085B, ARG3105A, ARG3105B, ARG3169A, ARG3169B, ASN1205A, ASN236A, ASN236B, ASN3113A, ASN3113B, ASN3312A, ASN3312B, ASP224B, ASP276A, ASP276B, ASP3094B, ASP3110A, ASP3110B, ASP3112A, ASP3112B, ASP3120B, ASP3311A, ASP3311B, CYS3116B, GLN194B, GLN257B, GLN3084A, GLN3084B, GLN3118B, GLN3124B, GLN3173A, GLN3173B, GLU233A, GLU233B, GLU235A, GLU235B, GLU241A, GLU241B, GLU259A, GLU259B, GLU3086A, GLU3086B, GLU3123A, GLU3123B, GLU3127A, GLU3127B, GLU3266A, GLU3266B, GLU3314A, GLU3314B, GLU68A, GLU68B, GLY1200A, GLY1204A, GLY229A, GLY229B, GLY234A, GLY234B, GLY239A, GLY239B, GLY288A, GLY288B, GLY301A, GLY301B, GLY3087A, GLY3087B, GLY3108A, GLY3108B, GLY3122A, GLY3122B, GLY3265A, GLY3265B, GLY3267A, GLY3267B, GLY66A, GLY66B, HIS3097B, ILE1199A, ILE228A, ILE228B, ILE3093B, ILE3102A, ILE3102B, ILE3111A, ILE3111B, ILE3128B, LEU3099B, LEU3107A, LEU3107B, LEU3114B, LEU3115A, LEU3115B, LEU3126A, LEU3126B, LEU3166A, LEU3166B, LEU3263A, LEU3263B, LYS232A, LYS232B, LYS245A, LYS245B, LYS280A, LYS280B, LYS286A, LYS286B, LYS302A, LYS302B, LYS3088A, LYS3088B, LYS3106A, LYS3106B, LYS3310A, LYS3310B, LYS3317A, LYS3317B, LYS72A, LYS72B, MET1197A, MET1202A, MET3170A, MET3170B, PHE1203A, PHE3092B, PRO3101A, PRO3101B, PRO3119B, PRO3151A, PRO3151B, PRO3313A, PRO3313B, PRO67A, PRO67B, SER240A, SER240B, SER3117B, SER69A, SER69B, SER70A, SER70B, THR3089A, THR3089B, THR3121A, THR3121B, THR3150A, THR3150B, THR3315B, TRP3308A, TRP3308B, TYR264A, TYR264B, TYR291A, TYR291B, TYR3103A, TYR3103B, TYR3264A, TYR3264B, VAL1201A, VAL231A, VAL231B, VAL237A, VAL237B, VAL238A, VAL238B, VAL279A, VAL279B, VAL3109A, VAL3109B
• A-C: ALA1287A, ALA1287C, ALA1289A, ALA1289C, ALA287A, ALA287C, ALA289A, ALA289C, GLN300A, GLY1288A, GLY1288C, GLY288A, GLY288C, LYS1286A, TRP1290A, TRP1290C, TRP290A, TRP290C
• A-D: ALA1289A, ALA1289D, ALA1303A, ALA1303D, ALA1305A, ALA1305D, ALA1307D, ALA2289A, ALA2289D, ALA2303A, ALA2303D, ALA2305A, ALA2305D, ALA2307A, ALA2307D, ALA3289A, ALA3289D, ALA3303A, ALA3303D, ALA3305A, ALA3305D, ASN1236A, ASN1236D, ASN1304A, ASN1304D, ASN2236A, ASN2236D, ASN2304A, ASN2304D, ASN3236A, ASN3236D, ASN3304A, ASN3304D, GLN1300A, GLN1300D, GLN2300A, GLN2300D, GLN3300A, GLN3300D, GLU1233A, GLU1233D, GLU1235A, GLU1235D, GLU1296A, GLU1296D, GLU2235A, GLU2235D, GLU2296A, GLU2296D, GLU3233A, GLU3233D, GLU3235A, GLU3235D, GLU3296A, GLU3296D, GLY1234A, GLY1234D, GLY1299A, GLY1299D, GLY1301A, GLY1301D, GLY2234A, GLY2234D, GLY2299A, GLY2299D, GLY2301A, GLY2301D, GLY3234A, GLY3234D, GLY3299A, GLY3299D, GLY3301A, GLY3301D, ILE1298A, ILE1298D, ILE2298A, ILE2298D, ILE3298A, ILE3298D, LYS1232A, LYS1232D, LYS1297A, LYS1297D, LYS1302D, LYS2232A, LYS2232D, LYS2297A, LYS2297D, LYS2302A, LYS3232A, LYS3232D, LYS3297A, LYS3297D, LYS3302D, SER1292A, SER3292A, SER3292D, THR2306A, THR2306D, TRP1290A, TRP1290D, TRP1308A, TRP1308D, TRP2290A, TRP2290D, TRP2308A, TRP2308D, TRP3290A, TRP3290D, TRP3308A, TRP3308D, TYR1291A, TYR1291D, TYR2291A, TYR2291D, TYR3291A, TYR3291D, VAL1237A, VAL1237D, VAL3237A, VAL3237D
• B-C: ALA1289B, ALA1289C, ALA1303B, ALA1303C, ALA1305B, ALA1305C, ALA1307B, ALA1307C, ALA2289B, ALA2289C, ALA2303B, ALA2303C, ALA2305B, ALA2305C, ALA3289B, ALA3289C, ALA3303B, ALA3303C, ALA3305B, ALA3305C, ALA3307B, ALA3307C, ASN1236B, ASN1236C, ASN1304B, ASN1304C, ASN2236B, ASN2236C, ASN2304B, ASN2304C, ASN3236B, ASN3236C, ASN3304B, ASN3304C, GLN1300B, GLN1300C, GLN2300B, GLN2300C, GLN3300B, GLN3300C, GLU1233B, GLU1235B, GLU1235C, GLU1296B, GLU1296C, GLU2235B, GLU2235C, GLU2296B, GLU2296C, GLU3233B, GLU3233C, GLU3235B, GLU3235C, GLU3296B, GLU3296C, GLY1234B, GLY1234C, GLY1299B, GLY1299C, GLY1301B, GLY1301C, GLY2234B, GLY2234C, GLY2295B, GLY2299B, GLY2299C, GLY2301B, GLY2301C, GLY3234B, GLY3234C, GLY3299B, GLY3299C, GLY3301B, GLY3301C, ILE1298B, ILE1298C, ILE2298B, ILE2298C, ILE3298B, ILE3298C, LYS1232B, LYS1232C, LYS1297B, LYS1297C, LYS2232B, LYS2232C, LYS2297B, LYS2297C, LYS2302B, LYS2302C, LYS3232B, LYS3232C, LYS3297B, LYS3297C, LYS3302C, SER1292B, SER2292B, SER2292C, THR2306B, THR2306C, THR3306C, TRP1290B, TRP1290C, TRP1308B, TRP1308C, TRP2290B, TRP2290C, TRP2308B, TRP2308C, TRP3290B, TRP3290C, TRP3308B, TRP3308C, TYR1291B, TYR1291C, TYR2291B, TYR2291C, TYR3291B, TYR3291C, VAL1237B, VAL1237C, VAL3237B, VAL3237C
• B-D: ALA1287B, ALA1287D, ALA1289B, ALA1289D, ALA287B, ALA287D, ALA289B, ALA289D, GLN300B, GLN300D, GLY1288B, GLY1288D, GLY288B, GLY288D, LYS1286B, LYS1286D, TRP1290B, TRP1290D, TRP290B, TRP290D
• C-D: ALA230C, ALA230D, ALA289C, ALA289D, ALA3081C, ALA3081D, ALA3082C, ALA3082D, ALA3083C, ALA3083D, ALA3104C, ALA3104D, ALA3131D, ALA3167C, ALA3167D, ALA3168C, ALA3168D, ALA3307D, ARG226C, ARG226D, ARG227C, ARG227D, ARG243C, ARG243D, ARG3085C, ARG3085D, ARG3105C, ARG3105D, ARG3134D, ARG3169C, ARG3169D, ASN236C, ASN236D, ASN3113C, ASN3113D, ASN3312C, ASN3312D, ASP224C, ASP276C, ASP276D, ASP3110C, ASP3110D, ASP3112C, ASP3112D, ASP3311C, ASP3311D, GLN194C, GLN257C, GLN3084C, GLN3084D, GLN3173C, GLN3173D, GLU233C, GLU233D, GLU235C, GLU235D, GLU241C, GLU241D, GLU259C, GLU259D, GLU3086C, GLU3086D, GLU3123C, GLU3123D, GLU3127C, GLU3127D, GLU3266C, GLU3266D, GLU3314C, GLU3314D, GLU68C, GLU68D, GLY229C, GLY229D, GLY234C, GLY234D, GLY239C, GLY239D, GLY288C, GLY288D, GLY301D, GLY3087C, GLY3087D, GLY3108C, GLY3108D, GLY3122C, GLY3122D, GLY3265C, GLY3265D, GLY3267C, GLY3267D, GLY66C, HIS1163C, ILE228C, ILE228D, ILE3102C, ILE3102D, ILE3111C, ILE3111D, LEU3107C, LEU3107D, LEU3115C, LEU3115D, LEU3126C, LEU3126D, LEU3149C, LEU3166C, LEU3166D, LEU3263C, LEU3263D, LYS232C, LYS232D, LYS245C, LYS245D, LYS280C, LYS280D, LYS286C, LYS286D, LYS302D, LYS3088C, LYS3088D, LYS3106C, LYS3106D, LYS3310C, LYS3310D, LYS3317C, LYS3317D, LYS72C, MET3170C, MET3170D, MET3171C, MET3171D, PRO3101C, PRO3101D, PRO3151C, PRO3151D, PRO3313C, PRO3313D, PRO67C, PRO67D, SER240C, SER240D, SER69C, SER69D, SER70C, SER70D, THR3089C, THR3089D, THR3121C, THR3121D, THR3150C, THR3150D, THR3315C, TRP3308C, TRP3308D, TYR264C, TYR264D, TYR291C, TYR291D, TYR3103C, TYR3103D, TYR3264C, TYR3264D, VAL231C, VAL231D, VAL237C, VAL237D, VAL238C, VAL238D, VAL279C, VAL279D, VAL3109C, VAL3109D
• C-E: ALA179C, ALA2153E, ALA252C, ALA253C, ARG169C, ARG176C, ARG2169E, ARG222C, ARG3169E, ARG3176E, ASN213C, ASN249C, GLN184C, GLN2173E, GLN3020E, GLN3173E, GLU2123E, GLU2127E, GLU2154E, GLU2156E, GLY165C, HIS163E, ILE251C, LEU1166E, LEU2166E, LYS183C, LYS2152E, LYS216C, LYS2177E, LYS248C, LYS250C, LYS3177E, PHE217C, PHE255C, PHE3021E, PRO2151E, PRO254C, SER162C, TYR218C
• C-F: ALA1153C, ALA1153F, ALA1167C, ALA1167F, ALA1174F, ALA153F, ALA174F, ALA2131C, ALA2153C, ALA2167C, ALA2174C, ALA3131C, ALA3174C, ARG1134F, ARG1169C, ARG1169F, ARG1176F, ARG134F, ARG169C, ARG169F, ARG176F, ARG2134C, ARG2169C, ARG2176C, ARG3134C, ARG3134F, ARG3169C, ARG3176C, ASN1181F, ASN181F, ASN2181C, ASN3181C, ASP1130F, ASP1161C, ASP1161F, ASP130F, ASP161C, ASP161F, ASP2130C, ASP3130C, GLN1020F, GLN1173F, GLN1184F, GLN173F, GLN2016F, GLN2020F, GLN2124C, GLN2173C, GLN2184C, GLN3016C, GLN3020C, GLN3173C, GLN3184C, GLU1123C, GLU1123F, GLU1127F, GLU1154C, GLU1154F, GLU1156C, GLU1156F, GLU1158C, GLU1158F, GLU123F, GLU127F, GLU156F, GLU158C, GLU158F, GLU2123C, GLU2127C, GLU2156C, GLU2156F, GLU3127C, GLY1157F, GLY1160C, GLY1160F, GLY1180F, GLY157F, GLY160F, GLY3180C, ILE1159C, ILE1159F, ILE159C, ILE159F, LEU1166C, LEU1166F, LEU166F, LEU2166C, LYS1152C, LYS1152F, LYS1177F, LYS1183F, LYS152F, LYS177C, LYS177F, LYS2008F, LYS2019F, LYS2152C, LYS2152F, LYS2177C, LYS3008C, LYS3019C, LYS3177C, MET1170C, MET1170F, MET170F, MET171F, MET175F, MET3170C, MET3175C, PHE1021F, PHE2021F, PHE3021C, PRO1151C, PRO1151F, PRO151F, PRO2151C, SER1162C, SER1162F, SER172F, SER3172C, THR2121C
• D-E: ALA3137D, ALA3137E, ARG3134E, ARG3324E, ASN3186D, ASN3186E, ASP3036D, ASP3036E, GLN3016D, GLN3016E, GLN3184D, GLN3184E, GLU3325D, GLU3325E, GLY3136D, GLY3136E, LYS3008D, LYS3019D, LYS3019E, LYS3023D, LYS3023E, LYS3183D, LYS3183E, LYS3321D, LYS3321E, LYS3322E, MET3035D, MET3035E, SER3185D, SER3185E, THR3187D, THR3187E
• D-F: ALA179F, ALA2153D, ALA2167D, ALA252F, ALA253F, ARG169F, ARG176F, ARG2169D, ARG2176D, ARG222F, ARG3169D, ARG3176D, ARG60F, ASN213F, ASN249F, ASP1161D, ASP161F, GLN184F, GLN2173D, GLN3020D, GLN3173D, GLU1158D, GLU2123D, GLU2127D, GLU2154D, GLU2156D, GLY1157D, GLY1160D, GLY165F, GLY180F, HIS1163D, HIS163D, ILE1159D, ILE2155D, ILE251F, LEU1166D, LEU2166D, LYS183F, LYS2152D, LYS216F, LYS2177D, LYS248F, LYS250F, LYS3177D, MET2170D, PHE217F, PHE255F, PHE3021D, PRO2151D, PRO254F, SER1162D, SER162F, SER172F, SER220F, THR2121D, TYR218F
• E-F: ALA230F, ALA289F, ALA3081E, ALA3082E, ALA3083E, ALA3104E, ALA3307E, ARG226E, ARG226F, ARG227E, ARG227F, ARG243E, ARG243F, ARG3085E, ARG3085F, ARG3105E, ARG3169E, ARG3169F, ASN236F, ASN3113E, ASN3113F, ASN3312E, ASP224F, ASP3110E, ASP3110F, ASP3112E, ASP3112F, ASP3311E, ASP3311F, GLN194F, GLN257F, GLN3084E, GLU233F, GLU235E, GLU235F, GLU241F, GLU259F, GLU3086E, GLU3086F, GLU3123E, GLU3123F, GLU3266E, GLU3266F, GLU3314E, GLU3314F, GLU68E, GLU68F, GLY229F, GLY234F, GLY239F, GLY288F, GLY3087E, GLY3108E, GLY3265E, GLY3267E, GLY66F, ILE228F, ILE3102E, ILE3111E, LEU3107E, LEU3115E, LEU3263E, LYS232E, LYS232F, LYS245F, LYS280E, LYS280F, LYS286E, LYS286F, LYS3088E, LYS3106E, LYS3106F, LYS3310E, LYS3317E, LYS72F, PRO3101E, PRO3313E, PRO67F, SER240F, SER69F, SER70F, THR3089E, TRP3308E, TYR264F, TYR291F, TYR3103E, TYR3264E, VAL231F, VAL237F, VAL238F, VAL279F, VAL3109E
• E-H: GLU1235E, GLU1235H, GLU1296E, GLU1296H, GLU2235E, GLU2235H, GLU2296H, GLU3235E, GLU3235H, GLU3296E, GLU3296H, LYS1232E, LYS1232H, LYS1297E, LYS1297H, LYS2232E, LYS2232H, LYS2297E, LYS2297H, LYS3232E, LYS3232H, LYS3297E, LYS3297H
• F-G: GLU1235F, GLU1235G, GLU1296F, GLU1296G, GLU2235F, GLU2235G, GLU3235F, GLU3235G, GLU3296F, GLU3296G, LYS1232F, LYS1232G, LYS1297F, LYS1297G, LYS2232F, LYS2232G, LYS2297F, LYS2297G, LYS3232F, LYS3232G, LYS3297F, LYS3297G
• G-H: ARG226G, ARG226H, ARG227G, ARG227H, ARG243H, ARG3105G, ARG3169G, ARG3169H, ASN3113G, ASN3312G, ASP3110G, ASP3110H, ASP3112G, ASP3112H, ASP3311G, ASP3311H, GLU235G, GLU235H, GLU3086G, GLU3086H, GLU3123G, GLU3123H, GLU3266G, GLU3266H, GLU3314G, GLU3314H, GLU68G, GLU68H, GLY3265G, GLY3265H, LYS232G, LYS232H, LYS280G, LYS280H, LYS286G, LYS286H, LYS3106G, LYS3106H, TYR264H