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crystal structure of 7,8-dihydroneopterin aldolase in complex with guanine
Total interactions analyzed 120
Total true interactions 42
Strongest Interaction Chains A-B
Int. Res. 93
Norm. En. per Res. -5.4106
Hub Node C(7)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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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 int. res.
A-B -133.0365 -32.3303 -337.82 -503.1867 93 16 13 12426 5 35 34
A-D -110.8303 -13.1877 -305.199 -429.217 95 19 11 12105 5 32 33
A-E 0.0 0.0 -0.041 -0.041 2 0 0 18 0 0 1
A-G 0.0 0.0 -5.3796 -5.3796 8 0 0 245 0 0 1
A-H -14.2874 1.9021 -169.449 -181.8344 57 15 4 6984 0 13 12
B-C -115.1635 -16.6289 -299.798 -431.5905 90 19 13 11774 4 35 33
B-F 0.0 0.0 -4.8914 -4.8914 8 1 0 255 0 0 1
B-G -11.8697 1.9051 -172.705 -182.6696 57 6 6 6781 0 11 10
B-H 0.0 0.0 -0.0667 -0.0667 2 0 0 36 0 0 1
C-D -110.0231 -24.0705 -316.024 -450.1176 95 13 12 12106 5 34 34
C-E 0.0 0.0 -5.4394 -5.4394 8 1 0 294 0 0 1
C-F -10.3493 1.1988 -175.512 -184.6625 60 7 7 7010 0 12 10
C-G 0.0 0.0 -0.0275 -0.0275 2 0 0 22 0 0 1
C-I 0.0 0.0 -4.2185 -4.2185 8 0 0 235 0 4 2
C-J 0.0 -9.5488 -24.5911 -34.1399 30 3 0 1275 2 19 14
C-P 0.0 0.0 -4.4658 -4.4658 10 0 0 171 0 2 0
D-E -11.1149 1.749 -151.884 -161.25 56 4 6 6605 0 12 10
D-F 0.0 0.0 -0.001 -0.001 2 0 0 3 0 0 1
D-H 0.0 0.0 -7.3429 -7.3429 8 0 0 302 0 0 1
E-F -116.0053 -15.6837 -292.788 -424.4769 90 19 13 11816 4 34 35
E-H -114.5698 -32.8174 -321.212 -468.5992 93 20 12 12534 6 34 36
F-G -113.7701 -21.1926 -303.776 -438.7387 94 18 12 11780 5 33 36
G-H -104.186 -16.3608 -315.941 -436.4878 92 20 14 12172 5 35 33
I-J -107.9139 -23.5282 -304.424 -435.8661 88 21 13 11853 5 35 32
I-L -117.984 -29.7284 -314.951 -462.6635 94 20 13 12138 6 34 34
I-M 0.0 0.0 -0.0121 -0.0121 2 0 0 11 0 0 1
I-O 0.0 0.0 -5.201 -5.201 8 0 0 244 0 0 1
I-P -20.048 0.2552 -169.364 -189.1568 56 7 5 6857 0 11 10
J-K -127.9701 -35.2934 -311.455 -474.7185 93 21 12 12158 6 32 35
J-N 0.0 0.0 -6.5661 -6.5661 8 0 0 297 0 0 1
J-O -10.6125 8.2155 -160.654 -163.051 55 13 4 6768 0 11 10
K-L -114.8962 -15.9853 -316.199 -447.0805 91 18 13 12110 5 35 33
K-M 0.0 0.0 -5.3453 -5.3453 8 2 0 305 0 0 1
K-N -15.749 -7.4331 -149.286 -172.4681 57 7 4 6647 2 11 10
K-O 0.0 0.0 -0.0064 -0.0064 2 0 0 6 0 0 1
L-M -10.6752 2.5574 -172.511 -180.6288 58 9 7 6889 0 12 10
L-N 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 0 1
L-P 0.0 0.0 -4.3245 -4.3245 8 1 0 260 0 0 1
M-N -103.5187 -18.7796 -312.92 -435.2183 91 13 13 11964 4 34 35
M-P -114.6398 -30.8904 -311.558 -457.0881 95 19 13 12164 6 34 33
N-O -135.2728 -25.8829 -313.084 -474.2396 95 19 12 12075 6 33 34
O-P -119.5695 -31.4009 -328.015 -478.9854 91 15 14 12392 5 35 35