Table 1 Information of the interfacial atoms. Indices of the atoms and residues here are different form the numbers in the original pdb file, as they were renumbered sequentially from 1.

A

1

GLN

3

C

3862,4094,4098

A

1

GLN

8

C

4098,4229

A

2

ALA

11

C

4097,4098

A

2

ALA

13

C

4200

A

5

HIE

34

C

3838,3860,3861

A

7

VAL

50

C

3838,4222,4224

A

56

GLN

427

C

4221

A

56

GLN

428

O

4221

A

56

GLN

431

C

A

59

THR

456

C

4199

A

60

GLU

458

N

4199

A

60

GLU

459

C

4199,4176

A

60

GLU

461

C

4199

A

62

ILE

474

C

4176,4199,4200

A

62

ILE

475

C

4194

A

62

ILE

477

C

A

62

ILE

478

O

4194

A

80

LEU

610

C

4073

B

481

VAL

3838

C

34,50

B

484

TRP

3860

C

34

B

484

TRP

3861

C

34

B

484

TRP

3862

C

3

B

511

ARG

4073

C

610

B

512

LEU

4080

C

B

514

GLN

4094

C

3

B

514

GLN

4097

C

11

B

514

GLN

4098

O

3,8,11

B

523

TYR

4171

O

B

524

MET

4176

S

459,474

B

526

MET

4194

C

475,478

B

527

VAL

4196

N

B

527

VAL

4199

C

456,458,459,461,474

B

527

VAL

4200

C

13,474

B

530

TRP

4221

C

427,428

B

530

TRP

4222

C

50

B

530

TRP

4224

C

50

B

530

TRP

4229

C

8