3OPU

crystal structure of the c-terminal domain of streptococcus mutans surface protein spap

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 56
  • Norm. En. per Res.: -3.5606
• Hub Node: A(4)

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	-66.7935	-24.3919	-108.209	-199.3945	56	6	3	4941	2	12	13
A-C	-62.0003	18.0163	-197.832	-241.816	150	14	0	9654	8	49	67
A-D	0.0	8.0556	-9.5277	-1.4721	24	0	0	564	0	10	4
A-F	-38.4208	-7.1231	-80.747	-126.2909	47	8	0	4365	0	23	21
B-C	0.0	10.7806	-10.2551	0.5255	25	2	0	587	0	10	5
B-D	-46.8937	-1.1983	-172.303	-220.3951	148	6	0	8607	6	48	65
C-D	-54.8801	-29.4043	-113.451	-197.7354	57	9	3	5069	3	13	13
C-F	0.0	3.3953	-9.9843	-6.589	11	1	0	451	0	3	2
D-E	0.0	0.0	-0.4024	-0.4024	11	0	0	85	0	0	2
D-F	-36.5156	8.3412	-102.208	-130.3824	53	8	1	4176	0	12	10
E-F	0.0	1.2672	-2.3012	-1.034	7	0	0	124	1	8	6

Interface residues

• A-B: ALA1424A, ALA1424B, ALA1432A, ALA1432B, ASP1427A, ASP1427B, GLN1395A, GLN1395B, GLN1420A, GLN1420B, GLU1417A, GLU1417B, GLU1425A, GLU1425B, GLY1394A, GLY1394B, HIS1391A, HIS1391B, ILE1433A, ILE1433B, ILE1435A, ILE1435B, LEU1418A, LEU1418B, LYS1397A, LYS1397B, LYS1430A, LYS1430B, LYS1436A, LYS1436B, LYS1438A, LYS1438B, THR1393A, THR1393B, THR1419A, THR1419B, THR1422A, THR1422B, THR1423A, THR1423B, THR1428A, THR1428B, THR1429A, THR1429B, THR1434A, THR1434B, TYR1392A, TYR1392B, TYR1396A, TYR1396B, TYR1421A, TYR1421B, VAL1398A, VAL1398B, VAL1426A, VAL1426B
• A-C: ALA1196A, ALA1196C, ALA1213A, ALA1213C, ALA1244A, ALA1244C, ALA1245A, ALA1245C, ALA1263A, ALA1263C, ALA1269A, ALA1269C, ALA1432A, ALA1432C, ARG1217A, ARG1217C, ARG1250A, ARG1268A, ARG1268C, ARG1273A, ARG1273C, ASN1238A, ASN1238C, ASN1271A, ASN1271C, ASN1469A, ASN1469C, ASN1483A, ASP1219A, ASP1219C, ASP1237A, ASP1237C, ASP1270A, ASP1270C, ASP1277A, ASP1277C, ASP1383A, ASP1383C, ASP1384A, ASP1384C, ASP1386A, ASP1386C, GLN1200A, GLN1200C, GLN1218A, GLN1218C, GLN1247A, GLN1247C, GLN1265A, GLN1265C, GLN1297A, GLN1297C, GLN1300A, GLN1300C, GLU1211A, GLU1211C, GLU1212A, GLU1212C, GLU1215A, GLU1215C, GLU1243A, GLU1243C, GLU1248A, GLU1274A, GLU1274C, GLU1468A, GLU1468C, GLY1233A, GLY1233C, GLY1262A, GLY1262C, GLY1477A, ILE1249A, ILE1249C, ILE1472A, ILE1472C, LEU1214A, LEU1214C, LEU1216A, LEU1216C, LEU1220A, LEU1220C, LYS1295A, LYS1295C, LYS1296A, LYS1296C, LYS1334A, LYS1430A, LYS1430C, LYS1486A, LYS1486C, MET1292A, MET1292C, MET1298A, MET1298C, PHE1264A, PHE1264C, PHE1275A, PHE1275C, PRO1210A, PRO1210C, PRO1246A, PRO1246C, PRO1272A, PRO1272C, PRO1291A, SER1235A, SER1235C, SER1241A, SER1241C, SER1481A, SER1481C, SER1482A, THR1232A, THR1232C, THR1240A, THR1240C, THR1278A, THR1278C, THR1301A, THR1301C, THR1470A, THR1470C, THR1474A, THR1479A, THR1479C, THR1484A, THR1484C, TYR1209A, TYR1209C, TYR1239A, TYR1239C, TYR1279A, TYR1279C, TYR1382A, TYR1382C, TYR1385A, TYR1385C, TYR1471A, TYR1471C, TYR1480A, TYR1480C, VAL1234A, VAL1234C, VAL1236A, VAL1236C, VAL1293A, VAL1293C, VAL1478A, VAL1478C
• A-D: ALA1440A, ALA1440D, ASN1227A, ASN1227D, ASN1229A, ASN1229D, ASN1408A, ASN1408D, ASP1225A, ASP1225D, GLU1230A, GLU1230D, GLU1439A, GLU1439D, GLY1228A, GLY1228D, LYS1438A, LYS1438D, PHE1441A, PHE1441D, SER1444A, SER1444D, TYR1421A, TYR1421D
• A-F: ALA1226A, ALA1226F, ARG1193A, ARG1193F, ASN1191A, ASN1191F, ASN1227A, ASN1227F, ASN1229A, ASP1187A, ASP1187F, ASP1192A, ASP1192F, ASP1225A, ASP1225F, ASP1277A, ASP1277F, ASP1285A, ASP1285F, GLN1188A, GLN1188F, GLU1274A, GLY1228A, GLY1283A, GLY1283F, ILE1284A, ILE1284F, LEU1186F, LEU1286A, LYS1190A, LYS1190F, LYS1281A, LYS1281F, PHE1275A, PHE1275F, THR1278A, THR1278F, THR1282A, THR1282F, TYR1189A, TYR1189F, TYR1276A, TYR1276F, TYR1279A, TYR1279F, VAL1280A, VAL1280F
• B-C: ALA1440B, ALA1440C, ARG1443B, ARG1443C, ASN1227B, ASN1227C, ASN1229B, ASN1229C, ASN1408C, ASP1225B, ASP1225C, GLU1230B, GLU1230C, GLU1439B, GLU1439C, GLY1228B, GLY1228C, LYS1438B, LYS1438C, PHE1441B, PHE1441C, SER1444B, SER1444C, TYR1421B, TYR1421C
• B-D: ALA1196B, ALA1196D, ALA1213B, ALA1213D, ALA1244B, ALA1244D, ALA1245B, ALA1245D, ALA1263B, ALA1263D, ALA1269D, ALA1432B, ALA1432D, ARG1217B, ARG1217D, ARG1250B, ARG1250D, ARG1268B, ARG1268D, ARG1273B, ARG1273D, ASN1238B, ASN1238D, ASN1271B, ASN1271D, ASN1469B, ASN1469D, ASP1197D, ASP1219B, ASP1219D, ASP1237B, ASP1237D, ASP1270B, ASP1270D, ASP1277B, ASP1277D, ASP1383B, ASP1383D, ASP1384B, ASP1384D, ASP1386B, ASP1386D, GLN1200B, GLN1200D, GLN1218B, GLN1218D, GLN1247B, GLN1247D, GLN1265D, GLN1297B, GLN1297D, GLN1300B, GLN1300D, GLN1387B, GLU1211B, GLU1211D, GLU1212B, GLU1212D, GLU1215B, GLU1215D, GLU1243B, GLU1243D, GLU1274B, GLU1274D, GLU1468B, GLU1468D, GLY1233B, GLY1233D, GLY1262B, GLY1299D, ILE1249B, ILE1249D, ILE1472B, ILE1472D, LEU1214B, LEU1214D, LEU1216B, LEU1216D, LEU1220B, LEU1220D, LEU1242D, LYS1281D, LYS1295B, LYS1295D, LYS1296B, LYS1296D, LYS1334B, LYS1430B, LYS1430D, LYS1486B, MET1292D, MET1298B, MET1298D, PHE1264B, PHE1264D, PHE1275D, PRO1210B, PRO1210D, PRO1246B, PRO1246D, PRO1272B, PRO1272D, SER1235B, SER1235D, SER1241B, SER1241D, SER1481B, SER1481D, SER1482B, THR1232B, THR1232D, THR1240B, THR1240D, THR1278B, THR1278D, THR1301B, THR1301D, THR1388B, THR1466B, THR1470B, THR1470D, THR1474B, THR1479B, THR1479D, THR1484B, THR1484D, TYR1209B, TYR1209D, TYR1239B, TYR1239D, TYR1279B, TYR1279D, TYR1382B, TYR1382D, TYR1385B, TYR1385D, TYR1471B, TYR1471D, TYR1480B, TYR1480D, VAL1234B, VAL1234D, VAL1236B, VAL1236D, VAL1293B, VAL1293D, VAL1478B, VAL1478D
• C-D: ALA1424C, ALA1424D, ALA1432C, ALA1432D, ASP1427C, ASP1427D, GLN1395C, GLN1395D, GLN1420C, GLN1420D, GLU1417C, GLU1417D, GLU1425C, GLU1425D, GLY1394C, GLY1394D, HIS1391C, HIS1391D, ILE1433C, ILE1433D, ILE1435C, ILE1435D, LEU1418C, LEU1418D, LYS1397C, LYS1397D, LYS1430C, LYS1430D, LYS1436C, LYS1436D, LYS1438C, LYS1438D, THR1393C, THR1393D, THR1419C, THR1419D, THR1422C, THR1422D, THR1423C, THR1423D, THR1428C, THR1428D, THR1429C, THR1429D, THR1434C, THR1434D, TYR1382C, TYR1392C, TYR1392D, TYR1396C, TYR1396D, TYR1421C, TYR1421D, VAL1398C, VAL1398D, VAL1426C, VAL1426D
• C-F: ARG1193F, ASN1191F, ASP1192F, ASP1384C, ASP1427C, GLN1387C, GLY1431C, LYS1430C, SER1194F, THR1428C, THR1429C
• D-E: ASN1346D, ASN1346E, ASN1347D, ASN1347E, ASP1349D, GLN1351D, GLN1351E, THR1345D, THR1345E, VAL1348D, VAL1348E
• D-F: ALA1196F, ALA1256F, ARG1193F, ASN1191F, ASN1316F, ASN1408D, ASP1185F, ASP1187F, ASP1192F, ASP1197F, ASP1313F, ASP1403D, GLN1188F, GLN1311F, GLN1420D, GLU1417D, GLY1315F, GLY1317F, GLY1409D, GLY1415D, ILE1153F, ILE1199F, ILE1404D, ILE1405D, ILE1411D, ILE1412D, LEU1186F, LEU1406D, LEU1418D, LYS1154F, LYS1190F, LYS1201F, LYS1255F, LYS1397D, LYS1407D, LYS1413D, LYS1438D, PHE1314F, PHE1399D, PRO1342D, SER1194F, SER1195F, SER1414D, THR1198F, THR1416D, THR1419D, TYR1152F, TYR1189F, TYR1276F, TYR1318F, TYR1421D, VAL1398D, VAL1410D
• E-F: ARG1259E, ARG1259F, GLU1212E, GLU1212F, LEU1242E, LYS1261E, LYS1261F