Table 1
Pairwise comparison of differences in side-chain edge weights
Edge weight differences between β2AR-Gs and β2AR-anta
Serial
no.
Residue
name
Residue
no.
Helix
Residue
name
Residue
no.
Helix
Edge weight
difference
Inter-helical interactions:
1
HIS
269
TM6
ALA
226
TM5
À0.67
2
PRO
211
TM5
TRP
122
TM3
À0.62
3
CYS
116
TM3
ALA
78
TM2
À0.5
4
SER
120
TM3
ALA
78
TM2
À0.5
5
MET
279
TM6
ALA
128
TM3
À0.5
6
CYS
327
TM7
VAL
54
TM1
0.5
7
SER
161
TM4
ALA
119
TM3
0.5
8
ALA
335
TM8
PHE
61
TM1
0.71
9
PHE
332
TM8
CYS
327
TM7
0.77
10
ASN
322
TM7
LEU
75
TM2
1
Intra-helical Interactions:
11
VAL
86
TM2
MET
82
TM2
À0.5
12
SER
165
TM4
GLY
162
TM4
À0.5
13
SER
207
TM5
SER
203
TM5
À0.5
14
ASP
79
TM2
LEU
75
TM2
0.5
Helix-loop:
15
VAL
67
TM2
SER
143
ICL2
À1
16
GLN
229
TM5
LYS
140
ICL2
À0.75
17
LYS
273
TM6
PHE
264
IL3
À0.64
18
ASN
103
TM3
GLU
188
ECL2
0.5
19
ALA
134
TM3
TYR
141
ICL2
0.5
20
PHE
332
TM8
LEU
64
ICL1
0.53
21
GLU
268
TM6
CYS
265
ICL3
0.6
Loop-Loop:
22
CYS
191
ECL2
TRP
99
ECL1
À0.88
23
SER
143
ICL2
ASP
130
TM3
À0.75
24
TYR
185
ECL2
ARG
175
ECL2
À0.61
25
THR
189
ECL2
GLU
187
ECL2
À0.57
(continued)
102
Vasundhara Gadiyaram et al.
Pairwise comparison of differences in side-chain edge weights
Edge weight differences between β2AR-Gs and β2AR-anta
Serial
no.
Residue
name
Residue
no.
Helix
Residue
name
Residue
no.
Helix
Edge weight
difference
Inter-helical interactions:
1
HIS
269
TM6
ALA
226
TM5
À0.67
2
PRO
211
TM5
TRP
122
TM3
À0.62
3
CYS
116
TM3
ALA
78
TM2
À0.5
4
SER
120
TM3
ALA
78
TM2
À0.5
5
MET
279
TM6
ALA
128
TM3
À0.5
6
CYS
327
TM7
VAL
54
TM1
0.5
7
SER
161
TM4
ALA
119
TM3
0.5
8
ALA
335
TM8
PHE
61
TM1
0.71
9
PHE
332
TM8
CYS
327
TM7
0.77
10
ASN
322
TM7
LEU
75
TM2
1
Intra-helical Interactions:
11
VAL
86
TM2
MET
82
TM2
À0.5
12
SER
165
TM4
GLY
162
TM4
À0.5
13
SER
207
TM5
SER
203
TM5
À0.5
14
ASP
79
TM2
LEU
75
TM2
0.5
Helix-loop:
15
VAL
67
TM2
SER
143
ICL2
À1
16
GLN
229
TM5
LYS
140
ICL2
À0.75
17
LYS
273
TM6
PHE
264
IL3
À0.64
18
ASN
103
TM3
GLU
188
ECL2
0.5
19
ALA
134
TM3
TYR
141
ICL2
0.5
20
PHE
332
TM8
LEU
64
ICL1
0.53
21
GLU
268
TM6
CYS
265
ICL3
0.6
Loop-Loop:
22
CYS
191
ECL2
TRP
99
ECL1
À0.88
23
SER
143
ICL2
ASP
130
TM3
À0.75
24
TYR
185
ECL2
ARG
175
ECL2
À0.61
25
THR
189
ECL2
GLU
187
ECL2
À0.57
(continued)
102
Vasundhara Gadiyaram et al.
