Project name: 1AD9

Chain sequence(s)	H: EIQLVQSGAEVKKPGSSVKVSCKASGYTFTDYYINWMRQAPGQGLEWIGWIDPGSGNTKYNEKFKGRATLTVDTSTNTAYMELSSLRSEDTAFYFCAREKTTYYYAMDYWGQGTLVTVSS; L: DIQMTQSPSTLSASVGDRVTITCRSSKSLLHSNGDTFLYWFQQKPGKAPKLLMYRMSNLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCMQHLEYPFTFGQGTKVEVK
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.3904
• Maximal score value: 1.5674
• Average score: -0.6047
• Total score value: -140.2822

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	-1.9630
2	I	H	-0.9278
3	Q	H	-1.0314
4	L	H	0.0000
5	V	H	0.2806
6	Q	H	0.0000
7	S	H	-0.5147
8	G	H	-0.5056
9	A	H	0.2494
11	E	H	0.1752
12	V	H	1.0581
13	K	H	-0.8541
14	K	H	-2.1636
15	P	H	-2.2689
16	G	H	-1.6262
17	S	H	-1.2815
18	S	H	-1.3905
19	V	H	0.0000
20	K	H	-2.0086
21	V	H	0.0000
22	S	H	-0.4669
23	C	H	0.0000
24	K	H	-0.6352
25	A	H	0.0000
26	S	H	-0.8572
27	G	H	-1.0938
28	Y	H	-0.7369
29	T	H	-0.6341
30	F	H	0.0000
35	T	H	-1.1479
36	D	H	-1.8571
37	Y	H	-0.7317
38	Y	H	-0.3522
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	M	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	A	H	-0.7551
46	P	H	-0.8527
47	G	H	-1.1900
48	Q	H	-1.7659
49	G	H	-1.1849
50	L	H	0.0000
51	E	H	-0.7354
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	W	H	-0.2365
56	I	H	0.0000
57	D	H	-1.0689
58	P	H	0.0000
59	G	H	-1.2549
62	S	H	-1.0142
63	G	H	-1.1646
64	N	H	-1.7272
65	T	H	-0.9827
66	K	H	-1.1798
67	Y	H	-1.3011
68	N	H	-1.9840
69	E	H	-3.3904
70	K	H	-3.2242
71	F	H	0.0000
72	K	H	-3.2965
74	G	H	-2.0546
75	R	H	-1.8530
76	A	H	0.0000
77	T	H	-0.9429
78	L	H	0.0000
79	T	H	-0.3770
80	V	H	-0.1948
81	D	H	-0.6490
82	T	H	-0.6012
83	S	H	-0.4903
84	T	H	-0.6086
85	N	H	-0.8363
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3949
89	M	H	0.0000
90	E	H	-1.4056
91	L	H	0.0000
92	S	H	-1.2062
93	S	H	-1.3206
94	L	H	0.0000
95	R	H	-3.1289
96	S	H	-2.3306
97	E	H	-2.4799
98	D	H	0.0000
99	T	H	-0.6638
100	A	H	0.0000
101	F	H	0.6571
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	E	H	0.0000
108	K	H	-0.0639
109	T	H	0.2850
110	T	H	0.4883
111	Y	H	1.5674
112	Y	H	1.1249
113	Y	H	0.7732
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.3441
117	Y	H	-0.0341
118	W	H	-0.3778
119	G	H	0.0000
120	Q	H	-1.3295
121	G	H	-0.5478
122	T	H	0.0000
123	L	H	0.7972
124	V	H	0.0000
125	T	H	-0.0758
126	V	H	0.0000
127	S	H	-1.1824
128	S	H	-1.0406
1	D	L	-2.3627
2	I	L	0.0000
3	Q	L	-2.3175
4	M	L	0.0000
5	T	L	-1.4039
6	Q	L	0.0000
7	S	L	-0.6649
8	P	L	-0.5051
9	S	L	-0.8843
10	T	L	-1.0839
11	L	L	-0.6758
12	S	L	-0.9315
13	A	L	0.0000
14	S	L	-0.1449
15	V	L	0.7370
16	G	L	-0.5348
17	D	L	-1.2988
18	R	L	-2.2021
19	V	L	0.0000
20	T	L	-0.5559
21	I	L	0.0000
22	T	L	-0.8346
23	C	L	0.0000
24	R	L	-2.7960
25	S	L	0.0000
26	S	L	-2.0451
27	K	L	-2.0798
28	S	L	-0.9811
29	L	L	0.0000
30	L	L	0.0087
31	H	L	-0.8836
32	S	L	-1.0629
34	N	L	-1.6912
35	G	L	-1.1829
36	D	L	-0.8315
37	T	L	0.0000
38	F	L	0.0000
39	L	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.7663
46	P	L	-1.2019
47	G	L	-1.6007
48	K	L	-2.5853
49	A	L	-1.5268
50	P	L	0.0000
51	K	L	-1.4428
52	L	L	0.0000
53	L	L	0.0000
54	M	L	0.0000
55	Y	L	0.1510
56	R	L	-0.0836
57	M	L	-0.1752
65	S	L	-0.3577
66	N	L	-0.0981
67	L	L	0.2359
68	A	L	0.0000
69	S	L	-0.4029
70	G	L	-0.5298
71	V	L	0.0000
72	P	L	-0.3559
74	S	L	-0.3773
75	R	L	-0.7495
76	F	L	0.0000
77	S	L	-0.3324
78	G	L	-0.2967
79	S	L	-0.6995
80	G	L	-1.0428
83	S	L	-0.5878
84	G	L	-0.8057
85	T	L	-1.5527
86	E	L	-2.2366
87	F	L	0.0000
88	T	L	-0.7476
89	L	L	0.0000
90	T	L	-0.6015
91	I	L	0.0000
92	S	L	-1.3454
93	S	L	-1.1748
94	L	L	0.0000
95	Q	L	-1.3485
96	P	L	-0.7767
97	D	L	-1.9428
98	D	L	0.0000
99	F	L	-0.6591
100	A	L	0.0000
101	T	L	0.0000
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	H	L	0.0000
108	L	L	-0.3231
109	E	L	-1.0844
114	Y	L	-0.5923
115	P	L	-1.0379
116	F	L	0.0000
117	T	L	-0.7220
118	F	L	-0.3272
119	G	L	0.0000
120	Q	L	-1.5203
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.2148
124	V	L	0.0000
125	E	L	-1.3660
126	V	L	0.5576
127	K	L	-0.9895