Project name: 1c3b443d5eb5cb8

Chain sequence(s)	H: EVQLVQSGGGLVKPGGSLRLSCAASGFTFSGYTMNWVRQAPGKGLEWVSGISGNSGIIEYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTALYYCAKDILGGFYYFDYWGQGTPVTVSS; L: VLTQSPLSLPVTLGQPASISCRSSQSLVFSDGNTYLHWFQQRPGQPPRRLIYQVSNRDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQALQVHSTFGPGTTVDIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -2.7749
• Maximal score value: 1.7695
• Average score: -0.4832
• Total score value: -111.1354

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	E	H	-2.0314
2	V	H	-0.8439
3	Q	H	-0.8550
4	L	H	0.0000
5	V	H	1.2151
6	Q	H	0.0000
7	S	H	-0.3203
8	G	H	-0.7334
9	G	H	-0.3505
11	G	H	0.3196
12	L	H	1.0508
13	V	H	-0.2198
14	K	H	-1.7481
15	P	H	-1.9246
16	G	H	-1.5218
17	G	H	-1.3612
18	S	H	-1.2643
19	L	H	-0.6536
20	R	H	-1.1772
21	L	H	0.0000
22	S	H	-0.1362
23	C	H	0.0000
24	A	H	-0.0824
25	A	H	0.0000
26	S	H	-0.9152
27	G	H	-1.1469
28	F	H	-0.4894
29	T	H	-0.2512
30	F	H	0.0000
35	S	H	-0.7901
36	G	H	-0.1977
37	Y	H	0.4868
38	T	H	0.0000
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.8135
45	A	H	-1.2259
46	P	H	-0.9937
47	G	H	-1.4557
48	K	H	-2.2104
49	G	H	-1.2815
50	L	H	0.0000
51	E	H	-0.8863
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	G	H	0.5299
56	I	H	0.0000
57	S	H	0.0000
58	G	H	0.0000
59	N	H	-1.3371
62	S	H	-0.3236
63	G	H	0.2264
64	I	H	1.7695
65	I	H	1.4935
66	E	H	-0.0996
67	Y	H	-0.8090
68	A	H	-1.2575
69	D	H	-2.3510
70	S	H	-1.4987
71	V	H	0.0000
72	K	H	-1.9242
74	G	H	-1.4063
75	R	H	-1.3953
76	F	H	0.0000
77	T	H	-0.6815
78	I	H	0.0000
79	S	H	-0.1921
80	R	H	-1.0897
81	D	H	-1.6896
82	N	H	-2.0544
83	S	H	-1.6622
84	K	H	-2.4448
85	N	H	-1.8551
86	T	H	-0.9953
87	L	H	0.0000
88	Y	H	-0.2515
89	L	H	0.0000
90	Q	H	-0.8872
91	M	H	0.0000
92	N	H	-1.7171
93	S	H	-1.4806
94	L	H	0.0000
95	R	H	-2.2148
96	A	H	-1.6698
97	E	H	-2.1565
98	D	H	0.0000
99	T	H	-0.6405
100	A	H	0.0000
101	L	H	0.0489
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	D	H	0.0000
108	I	H	1.0824
109	L	H	1.0276
110	G	H	0.0786
111	G	H	-0.4110
112	F	H	0.0000
113	Y	H	1.1010
114	Y	H	0.8204
115	F	H	0.0000
116	D	H	0.3107
117	Y	H	0.5373
118	W	H	0.1582
119	G	H	0.0000
120	Q	H	-0.9847
121	G	H	0.0000
122	T	H	0.0000
123	P	H	-0.2363
124	V	H	0.0000
125	T	H	-0.1605
126	V	H	0.0000
127	S	H	-0.6013
128	S	H	-0.5972
3	V	L	1.1869
4	L	L	0.0000
5	T	L	-0.2909
6	Q	L	0.0000
7	S	L	-0.1888
8	P	L	0.3791
9	L	L	1.2815
10	S	L	0.5019
11	L	L	0.2358
12	P	L	-0.3439
13	V	L	0.0000
14	T	L	-0.9582
15	L	L	-0.7111
16	G	L	-1.3398
17	Q	L	-1.9313
18	P	L	-1.8195
19	A	L	0.0000
20	S	L	-0.6933
21	I	L	0.0000
22	S	L	-0.8642
23	C	L	0.0000
24	R	L	-2.3040
25	S	L	-1.1588
26	S	L	-0.7620
27	Q	L	-1.2896
28	S	L	-0.6725
29	L	L	0.0000
30	V	L	0.6773
31	F	L	0.3588
32	S	L	-0.5711
34	D	L	-1.8337
35	G	L	-0.9822
36	N	L	-0.7424
37	T	L	-0.0487
38	Y	L	0.0000
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.6367
45	R	L	-1.1967
46	P	L	-0.8311
47	G	L	-1.2010
48	Q	L	-1.4751
49	P	L	-0.8977
50	P	L	0.0000
51	R	L	-0.6375
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4766
56	Q	L	-0.5842
57	V	L	0.0000
65	S	L	-0.9041
66	N	L	-1.3316
67	R	L	-1.8508
68	D	L	-1.1513
69	S	L	-0.8515
70	G	L	-0.9182
71	V	L	-1.0839
72	P	L	-1.2624
74	D	L	-2.1455
75	R	L	-2.0792
76	F	L	0.0000
77	S	L	-1.2834
78	G	L	0.0000
79	S	L	-0.8052
80	G	L	-1.0992
83	S	L	-0.8043
84	G	L	-0.6164
85	T	L	-1.4543
86	D	L	-1.9486
87	F	L	0.0000
88	T	L	-0.9936
89	L	L	0.0000
90	K	L	-1.5027
91	I	L	0.0000
92	S	L	-2.1545
93	R	L	-2.7749
94	V	L	0.0000
95	E	L	-2.0953
96	A	L	-0.9941
97	E	L	-2.1071
98	D	L	0.0000
99	V	L	-0.2425
100	G	L	-0.2687
101	V	L	0.4085
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	M	L	0.0000
106	Q	L	0.0000
107	A	L	0.0000
108	L	L	0.4762
109	Q	L	-0.0430
114	V	L	1.0332
115	H	L	-0.2427
116	S	L	0.0000
117	T	L	0.2388
118	F	L	0.0000
119	G	L	0.0000
120	P	L	-0.0978
121	G	L	0.0000
122	T	L	0.0000
123	T	L	0.5141
124	V	L	0.0000
125	D	L	-0.0438
126	I	L	0.1213
127	K	L	-1.2551