2F8N

2.9 angstrom x-ray structure of hybrid macroh2a nucleosomes

• Total interactions analyzed: 45
• Total true interactions: 25
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 160
  • Norm. En. per Res.: -5.8696
• Hub Node: A(6)

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	-73.5332	-56.9362	-724.567	-855.0364	156	53	44	30724	4	57	62
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
A-E	-23.114	-45.5438	-155.196	-223.8538	58	5	8	6736	2	26	36
A-H	0.0	0.0	-0.0321	-0.0321	6	0	0	24	0	2	0
A-G	-18.2484	-2.1393	-129.315	-149.7027	72	8	4	5739	0	12	14
A-K	0.0	0.0	-2.3188	-2.3188	14	0	0	210	0	4	8
B-D	-14.6366	-11.18	-139.712	-165.5287	54	16	1	5300	2	20	27
B-H	-14.6879	-6.7048	-56.4776	-77.8703	29	4	2	2202	0	5	2
B-G	-23.8013	0.0	-92.4837	-116.285	46	5	4	3710	0	2	8
B-K	0.0	0.0	-0.0509	-0.0509	6	0	0	28	0	2	3
D-E	0.0	0.0	-0.0139	-0.0139	3	0	0	13	0	2	0
D-F	-14.1848	-6.1268	-62.3034	-82.615	30	2	2	2111	0	5	1
D-H	0.0	-2.9207	-0.2509	-3.1716	12	0	0	83	0	8	9
D-G	0.0	3.2942	-6.6391	-3.3449	14	0	0	293	0	0	11
D-K	-117.5815	-34.2853	-735.137	-887.0038	172	55	44	31230	5	48	45
E-F	-120.2577	-43.4688	-775.414	-939.1405	160	43	45	31887	2	66	68
E-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
E-G	-11.9271	0.0	-11.2866	-23.2137	13	1	0	562	0	4	7
E-K	-12.9131	1.1178	-139.234	-151.0293	69	11	7	6117	0	8	8
F-H	-14.0747	-9.5878	-148.216	-171.8785	49	7	1	5032	1	19	27
F-G	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	1
F-K	-19.7335	2.7187	-84.792	-101.8068	45	2	5	3933	0	0	6
H-G	-99.3856	-56.5845	-723.511	-879.4811	175	50	44	30160	4	42	48
H-K	0.0	2.0947	-4.7337	-2.6391	11	0	0	242	0	0	8
G-K	0.0	1.2843	-39.2318	-37.9475	18	7	0	1415	0	5	9

Interface residues

• A-B: ALA33B, ALA38B, ALA447A, ALA475A, ALA488A, ALA491A, ALA495A, ALA498A, ALA511A, ALA535A, ALA69B, ALA83B, ALA89B, ARG35B, ARG36B, ARG39B, ARG40B, ARG442A, ARG449A, ARG452A, ARG453A, ARG45B, ARG463A, ARG469A, ARG472A, ARG483A, ARG516A, ARG528A, ARG531A, ARG534A, ARG55B, ARG67B, ARG78B, ARG95B, ASN25B, ASN508A, ASN64B, ASP24B, ASP477A, ASP481A, ASP506A, ASP523A, ASP68B, ASP85B, GLN27B, GLN455A, GLN468A, GLN476A, GLN485A, GLN493A, GLN525A, GLU450A, GLU459A, GLU473A, GLU494A, GLU497A, GLU505A, GLU52B, GLU533A, GLU53B, GLU63B, GLU74B, GLY101B, GLY102B, GLY28B, GLY41B, GLY42B, GLY444A, GLY48B, GLY502A, GLY56B, GLY99B, HIS75B, ILE26B, ILE29B, ILE34B, ILE451A, ILE462A, ILE46B, ILE474A, ILE50B, ILE512A, ILE519A, ILE524A, ILE66B, LEU37B, LEU448A, LEU460A, LEU461A, LEU465A, LEU470A, LEU482A, LEU492A, LEU49B, LEU500A, LEU503A, LEU509A, LEU58B, LEU62B, LEU90B, LEU97B, LYS44B, LYS456A, LYS464A, LYS479A, LYS522A, LYS59B, LYS77B, LYS79B, MET490A, MET520A, MET84B, PHE100B, PHE467A, PHE478A, PHE484A, PHE504A, PHE61B, PRO32B, PRO443A, PRO466A, PRO521A, SER457A, SER47B, SER486A, SER487A, SER496A, THR30B, THR445A, THR458A, THR480A, THR507A, THR518A, THR54B, THR71B, THR73B, THR80B, THR82B, THR96B, TYR454A, TYR499A, TYR51B, TYR98B, VAL43B, VAL446A, VAL471A, VAL489A, VAL501A, VAL517A, VAL57B, VAL60B, VAL65B, VAL70B, VAL81B, VAL86B, VAL87B
• A-D: GLN485A, TYR1280D
• A-E: ALA511A, ALA514A, ALA527A, ALA711E, ALA714E, ALA727E, ARG516A, ARG528A, ARG529A, ARG531A, ARG534A, ARG716E, ARG728E, ARG729E, ARG731E, ARG734E, ASN508A, ASN708E, ASP506A, ASP523A, ASP706E, ASP723E, CYS510A, CYS710E, GLN525A, GLN725E, GLU505A, GLU533A, GLU705E, GLY532A, GLY702E, GLY732E, HIS513A, HIS713E, ILE512A, ILE519A, ILE524A, ILE530A, ILE712E, ILE719E, ILE724E, ILE730E, LEU503A, LEU509A, LEU526A, LEU703E, LEU709E, LEU726E, LYS515A, LYS522A, LYS715E, LYS722E, MET520A, MET720E, PRO521A, PRO721E, THR507A, THR707E
• A-H: GLN485A, GLU459A, GLU494A, LYS1431H, LYS1454H, MET490A
• A-G: ALA1103G, ALA1117G, ALA447A, ALA491A, ALA495A, ALA498A, ALA511A, ARG1081G, ARG442A, ARG449A, ARG452A, ARG453A, ARG516A, ASN1073G, ASN1110G, ASN508A, ASP506A, CYS510A, GLN455A, GLN493A, GLU1114G, GLU450A, GLU459A, GLU494A, GLU497A, GLU505A, GLY1105G, GLY1106G, GLY444A, GLY502A, HIS1082G, HIS1112G, HIS513A, ILE1102G, ILE1111G, ILE451A, ILE512A, ILE519A, LEU1084G, LEU1085G, LEU1108G, LEU1115G, LEU1116G, LEU448A, LEU460A, LEU461A, LEU509A, LYS1118G, LYS1119G, LYS456A, LYS464A, LYS515A, MET490A, PHE504A, PRO1080G, PRO1109G, PRO1113G, PRO443A, SER1104G, SER457A, SER496A, THR1079G, THR1101G, THR445A, THR458A, THR518A, TYR454A, TYR499A, VAL1100G, VAL1107G, VAL501A, VAL517A
• A-K: ALA535A, ARG529A, ARG531A, ARG534A, ARG99K, ASN110K, ASN94K, GLN112K, GLU533A, GLU91K, GLY532A, GLY98K, ILE530A, LYS95K
• B-D: ALA1274D, ALA1278D, ALA1294D, ALA69B, ALA76B, ALA83B, ALA89B, ARG1269D, ARG1276D, ARG1283D, ARG1289D, ARG1296D, ARG67B, ARG78B, ARG92B, ASN1281D, ASN64B, ASP68B, ASP85B, GLN1292D, GLN93B, GLU1273D, GLU1290D, GLU74B, GLY1301D, HIS1279D, HIS75B, ILE1270D, ILE1286D, LEU1277D, LEU1297D, LEU1298D, LEU1299D, LYS1282D, LYS77B, LYS91B, MET84B, PRO1300D, SER1288D, THR1285D, THR1287D, THR1293D, THR71B, THR73B, THR82B, TYR1280D, TYR72B, TYR88B, VAL1291D, VAL1295D, VAL70B, VAL81B, VAL86B, VAL87B
• B-H: ALA1455H, ARG1469H, ASN1460H, ASN1464H, ASP1465H, GLU1432H, GLU1468H, GLY101B, GLY102B, GLY99B, ILE1458H, LEU97B, LYS1431H, LYS1454H, LYS91B, MET1456H, MET1459H, MET84B, PHE100B, PHE1462H, SER1433H, SER1453H, SER1457H, SER1461H, THR96B, TYR98B, VAL1463H, VAL1466H, VAL87B
• B-G: ALA1103G, ALA1117G, ARG1081G, ARG39B, ARG40B, ARG45B, ARG95B, ASN1110G, GLU1114G, GLY1099G, GLY1105G, GLY1106G, GLY41B, GLY42B, GLY94B, GLY99B, HIS1112G, ILE1062G, ILE1083G, ILE1102G, ILE1111G, LEU1096G, LEU1097G, LEU1108G, LEU1115G, LEU1116G, LEU37B, LEU90B, LEU97B, LYS1098G, LYS1118G, LYS44B, LYS91B, PHE100B, PHE61B, PRO1080G, PRO1109G, PRO1113G, SER1104G, THR1101G, THR96B, TYR98B, VAL1087G, VAL1100G, VAL1107G, VAL43B
• B-K: ARG67B, ARG99K, ASN64B, GLN93B, GLY94B, LYS95K
• D-E: GLU694E, LYS1254D, MET690E
• D-F: ALA1255D, ARG1269D, ASN1260D, ASN1264D, ASP1265D, GLU1232D, GLU1268D, GLY1257D, GLY299F, GLY301F, GLY302F, ILE1258D, ILE1266D, LEU297F, LYS1231D, LYS1254D, LYS291F, MET1256D, MET1259D, MET284F, PHE1262D, PHE300F, SER1233D, SER1253D, SER1261D, THR296F, TYR288F, TYR298F, VAL1263D, VAL287F
• D-H: ARG1276D, ARG1430H, ARG1476H, GLU1268D, GLU1468H, HIS1479H, LYS1231D, LYS1282D, LYS1431H, LYS1482H, SER1272D, TYR1480H
• D-G: ARG1032G, ARG1276D, ARG1283D, GLY1037G, HIS1038G, HIS1279D, ILE1286D, LYS1035G, LYS1036G, LYS1282D, PRO1039G, SER1275D, SER1284D, TYR1033G
• D-K: ALA103K, ALA1255D, ALA1271D, ALA1274D, ALA1278D, ALA1294D, ALA1304D, ALA1307D, ALA1314D, ALA14K, ALA21K, ALA45K, ALA47K, ALA52K, ALA53K, ALA60K, ALA66K, ALA70K, ALA86K, ARG1230D, ARG1269D, ARG1276D, ARG1283D, ARG1289D, ARG1296D, ARG17K, ARG20K, ARG29K, ARG32K, ARG35K, ARG42K, ARG71K, ARG77K, ARG81K, ARG99K, ASN1260D, ASN1264D, ASN38K, ASN68K, ASN94K, ASP1248D, ASP1265D, ASP90K, GLN104K, GLN1244D, GLN1292D, GLN24K, GLN84K, GLU1232D, GLU1268D, GLU1273D, GLU1290D, GLU1302D, GLU1310D, GLU41K, GLU56K, GLU61K, GLU64K, GLU91K, GLU92K, GLY105K, GLY1250D, GLY1257D, GLY1301D, GLY1311D, GLY22K, GLY37K, GLY44K, GLY46K, GLY67K, GLY98K, HIS1246D, HIS1279D, HIS1306D, HIS31K, HIS82K, ILE102K, ILE1236D, ILE1251D, ILE1258D, ILE1266D, ILE1270D, ILE1286D, ILE62K, ILE78K, ILE79K, ILE87K, LEU1242D, LEU1298D, LEU1299D, LEU1303D, LEU23K, LEU33K, LEU34K, LEU51K, LEU55K, LEU58K, LEU63K, LEU65K, LEU83K, LEU93K, LEU96K, LEU97K, LYS1231D, LYS1240D, LYS1243D, LYS1254D, LYS1305D, LYS1313D, LYS1317D, LYS1322D, LYS15K, LYS36K, LYS75K, LYS95K, MET1256D, MET1259D, PHE1262D, PHE1267D, PHE25K, PRO1247D, PRO1300D, PRO26K, PRO48K, PRO80K, SER1233D, SER1235D, SER1252D, SER1253D, SER1261D, SER1272D, SER1275D, SER1284D, SER1288D, SER1309D, SER1320D, SER1321D, SER18K, SER19K, SER40K, THR101K, THR1249D, THR1285D, THR1287D, THR1293D, THR1312D, THR1316D, THR1319D, THR16K, THR59K, THR76K, TYR1234D, TYR1237D, TYR1239D, TYR1318D, TYR39K, TYR50K, TYR57K, VAL100K, VAL1238D, VAL1241D, VAL1245D, VAL1263D, VAL1291D, VAL1295D, VAL1308D, VAL1315D, VAL27K, VAL30K, VAL43K, VAL49K, VAL54K
• E-F: ALA233F, ALA238F, ALA269F, ALA283F, ALA289F, ALA647E, ALA675E, ALA688E, ALA691E, ALA695E, ALA698E, ALA711E, ALA735E, ARG219F, ARG223F, ARG235F, ARG236F, ARG239F, ARG240F, ARG245F, ARG255F, ARG267F, ARG278F, ARG295F, ARG642E, ARG649E, ARG652E, ARG653E, ARG663E, ARG669E, ARG672E, ARG683E, ARG716E, ARG728E, ARG731E, ARG734E, ASN225F, ASN264F, ASN708E, ASP224F, ASP268F, ASP285F, ASP677E, ASP681E, ASP706E, ASP723E, GLN227F, GLN293F, GLN655E, GLN668E, GLN676E, GLN685E, GLN693E, GLN725E, GLU252F, GLU253F, GLU263F, GLU274F, GLU650E, GLU659E, GLU673E, GLU694E, GLU697E, GLU705E, GLU733E, GLY228F, GLY241F, GLY242F, GLY248F, GLY256F, GLY299F, GLY302F, GLY644E, GLY702E, ILE226F, ILE229F, ILE234F, ILE246F, ILE250F, ILE266F, ILE651E, ILE662E, ILE674E, ILE712E, ILE719E, ILE724E, LEU222F, LEU237F, LEU249F, LEU258F, LEU262F, LEU290F, LEU297F, LEU648E, LEU660E, LEU661E, LEU665E, LEU670E, LEU682E, LEU692E, LEU700E, LEU703E, LEU709E, LYS220F, LYS244F, LYS259F, LYS277F, LYS279F, LYS656E, LYS664E, LYS679E, LYS722E, MET284F, MET690E, MET720E, PHE261F, PHE300F, PHE667E, PHE678E, PHE684E, PHE704E, PRO232F, PRO643E, PRO666E, PRO721E, SER247F, SER657E, SER686E, SER687E, SER696E, THR230F, THR254F, THR271F, THR273F, THR280F, THR282F, THR296F, THR645E, THR658E, THR680E, THR707E, THR718E, TYR251F, TYR298F, TYR654E, TYR699E, VAL221F, VAL243F, VAL257F, VAL260F, VAL265F, VAL270F, VAL281F, VAL286F, VAL287F, VAL646E, VAL671E, VAL689E, VAL701E, VAL717E
• E-H: ALA735E, PRO1500H
• E-G: ALA735E, ARG728E, ARG729E, ARG731E, ARG734E, ASN1094G, ASN1110G, GLN1095G, GLU1091G, GLU733E, GLY732E, HIS1112G, LYS1098G
• E-K: ALA103K, ALA113K, ALA647E, ALA691E, ALA695E, ALA698E, ALA711E, ARG642E, ARG649E, ARG652E, ARG653E, ARG716E, ARG731E, ARG81K, ARG99K, ASN110K, ASN708E, ASN73K, GLN104K, GLN112K, GLN655E, GLN693E, GLN84K, GLU650E, GLU659E, GLU694E, GLU697E, GLU705E, GLY105K, GLY106K, GLY644E, GLY702E, HIS713E, HIS82K, ILE102K, ILE111K, ILE651E, ILE712E, ILE719E, ILE79K, LEU108K, LEU115K, LEU116K, LEU648E, LEU660E, LEU661E, LEU709E, LEU85K, LYS118K, LYS656E, LYS664E, LYS715E, MET690E, PRO109K, PRO117K, PRO80K, SER657E, SER696E, THR101K, THR645E, THR658E, THR718E, TYR654E, TYR699E, VAL100K, VAL107K, VAL114K, VAL701E, VAL717E
• F-H: ALA1474H, ALA1478H, ALA1494H, ALA269F, ALA276F, ALA289F, ARG1469H, ARG1476H, ARG1483H, ARG1489H, ARG1496H, ARG267F, ARG278F, ARG292F, ASN1481H, ASN264F, ASP268F, ASP285F, GLN1492H, GLN293F, GLU1473H, GLU1490H, GLU274F, GLY1501H, HIS1479H, HIS275F, ILE1486H, ILE1491H, LEU1477H, LEU1497H, LEU1498H, LEU1499H, LYS1482H, LYS277F, LYS291F, MET284F, PRO1500H, SER1488H, THR1485H, THR1487H, THR1493H, THR271F, THR273F, TYR1480H, TYR272F, TYR288F, VAL1495H, VAL270F, VAL287F
• F-G: ARG292F, LEU1096G
• F-K: ALA103K, ARG239F, ARG240F, ARG245F, ARG295F, ARG81K, ARG88K, ARG99K, ASN110K, GLN104K, GLN112K, GLN293F, GLY105K, GLY106K, GLY241F, GLY242F, GLY294F, GLY299F, GLY98K, ILE102K, ILE111K, ILE62K, ILE87K, LEU108K, LEU115K, LEU116K, LEU290F, LEU297F, LEU83K, LEU96K, LEU97K, LYS244F, LYS291F, PHE261F, PHE300F, PRO109K, PRO117K, PRO80K, THR101K, THR296F, TYR298F, VAL100K, VAL107K, VAL114K, VAL243F
• H-G: ALA1019G, ALA1021G, ALA1047G, ALA1052G, ALA1053G, ALA1060G, ALA1066G, ALA1069G, ALA1070G, ALA1103G, ALA1435H, ALA1455H, ALA1471H, ALA1474H, ALA1478H, ALA1494H, ALA1504H, ALA1507H, ALA1514H, ALA1521H, ARG1017G, ARG1029G, ARG1032G, ARG1042G, ARG1071G, ARG1077G, ARG1081G, ARG1430H, ARG1469H, ARG1476H, ARG1483H, ARG1489H, ARG1496H, ASN1068G, ASN1094G, ASN1460H, ASN1464H, ASN1481H, ASP1090G, ASP1448H, ASP1465H, GLN1095G, GLN1444H, GLN1492H, GLU1056G, GLU1061G, GLU1064G, GLU1091G, GLU1092G, GLU1432H, GLU1468H, GLU1473H, GLU1490H, GLU1502H, GLU1510H, GLY1022G, GLY1037G, GLY1044G, GLY1046G, GLY1076G, GLY1099G, GLY1105G, GLY1450H, GLY1472H, GLY1501H, GLY1511H, HIS1038G, HIS1082G, HIS1446H, HIS1479H, HIS1506H, ILE1024G, ILE1034G, ILE1043G, ILE1062G, ILE1083G, ILE1102G, ILE1436H, ILE1451H, ILE1458H, ILE1470H, ILE1486H, ILE1491H, LEU1031G, LEU1055G, LEU1058G, LEU1063G, LEU1065G, LEU1084G, LEU1093G, LEU1096G, LEU1097G, LEU1442H, LEU1477H, LEU1498H, LEU1499H, LEU1503H, LYS1020G, LYS1035G, LYS1036G, LYS1040G, LYS1075G, LYS1098G, LYS1431H, LYS1440H, LYS1443H, LYS1454H, LYS1482H, LYS1505H, LYS1513H, LYS1517H, LYS1522H, MET1030G, MET1051G, MET1456H, MET1459H, PHE1025G, PHE1462H, PHE1467H, PRO1026G, PRO1039G, PRO1048G, PRO1080G, PRO1447H, PRO1500H, SER1016G, SER1018G, SER1104G, SER1433H, SER1452H, SER1453H, SER1457H, SER1461H, SER1475H, SER1484H, SER1488H, SER1509H, SER1520H, THR1015G, THR1059G, THR1079G, THR1101G, THR1449H, THR1485H, THR1487H, THR1493H, THR1512H, THR1516H, THR1519H, TYR1033G, TYR1041G, TYR1050G, TYR1057G, TYR1434H, TYR1437H, TYR1439H, TYR1480H, TYR1518H, VAL1023G, VAL1027G, VAL1045G, VAL1049G, VAL1054G, VAL1067G, VAL1078G, VAL1087G, VAL1100G, VAL1438H, VAL1441H, VAL1445H, VAL1463H, VAL1466H, VAL1495H, VAL1508H, VAL1515H
• H-K: ARG1483H, ARG35K, ASN38K, GLY37K, HIS1479H, LEU33K, LYS1482H, LYS36K, SER1475H, SER1484H, TYR39K
• G-K: ARG1042G, ARG32K, ARG35K, ARG42K, ASN38K, GLU41K, GLY1037G, GLY37K, HIS1038G, LEU34K, LYS1035G, LYS1036G, LYS1040G, LYS36K, PRO1039G, SER40K, TYR1041G, TYR39K