Project name: 4DN3

Chain sequence(s)	H: QVELVQSGAEVKKPGSSVKVSCKASGGTFSSYGISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDGIYGELDFWGQGTLVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASQSVSDAYLAWYQQKPGQAPRLLIYDASSRATGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYIQLHSFTFGQGTKVEIK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.2308
• Maximal score value: 2.659
• Average score: -0.5063
• Total score value: -115.443

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	Q	H	-1.6054
2	V	H	-0.8484
3	E	H	-1.0054
4	L	H	0.0000
5	V	H	0.8688
6	Q	H	0.0000
7	S	H	-0.3670
8	G	H	-0.3761
9	A	H	0.3129
11	E	H	0.2560
12	V	H	1.1237
13	K	H	-0.9158
14	K	H	-2.2769
15	P	H	-2.2252
16	G	H	-1.6519
17	S	H	-1.3659
18	S	H	-1.4809
19	V	H	0.0000
20	K	H	-2.0688
21	V	H	0.0000
22	S	H	-0.4937
23	C	H	0.0000
24	K	H	-0.6461
25	A	H	0.0000
26	S	H	-0.8715
27	G	H	-1.3587
28	G	H	-1.1544
29	T	H	-0.6514
30	F	H	0.0000
35	S	H	0.4085
36	S	H	0.2077
37	Y	H	0.5719
38	G	H	0.0000
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5333
45	A	H	-0.9217
46	P	H	-0.7433
47	G	H	-1.2506
48	Q	H	-1.8495
49	G	H	-1.3061
50	L	H	0.0000
51	E	H	-0.9245
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	I	H	0.0000
58	P	H	0.0000
59	I	H	2.4988
62	F	H	2.6590
63	G	H	0.9400
64	T	H	0.6740
65	A	H	-0.0046
66	N	H	-0.5306
67	Y	H	-0.9294
68	A	H	-1.8334
69	Q	H	-2.7708
70	K	H	-2.7114
71	F	H	0.0000
72	Q	H	-2.3951
74	G	H	-1.6426
75	R	H	-1.4656
76	V	H	0.0000
77	T	H	-0.8436
78	I	H	0.0000
79	T	H	-0.2717
80	A	H	-0.5298
81	D	H	-1.2000
82	E	H	-1.6251
83	S	H	-1.1150
84	T	H	-0.9497
85	S	H	-1.2750
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6115
89	M	H	0.0000
90	E	H	-1.5195
91	L	H	0.0000
92	S	H	-1.2473
93	S	H	-1.3573
94	L	H	0.0000
95	R	H	-3.2308
96	S	H	-2.3292
97	E	H	-2.5206
98	D	H	0.0000
99	T	H	-0.7096
100	A	H	0.0000
101	V	H	0.4277
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	Y	H	0.0000
108	D	H	0.3895
109	G	H	0.8867
110	I	H	2.2725
112	Y	H	1.4284
113	G	H	0.0000
114	E	H	0.0000
115	L	H	0.0000
116	D	H	-0.3374
117	F	H	-0.0872
118	W	H	-0.2049
119	G	H	0.0000
120	Q	H	-0.9317
121	G	H	-0.3624
122	T	H	0.0000
123	L	H	0.9002
124	V	H	0.0000
125	T	H	-0.0564
126	V	H	0.0000
127	S	H	-1.0212
128	S	H	-1.1614
1	E	L	-1.7920
2	I	L	0.0000
3	V	L	0.7197
4	L	L	0.0000
5	T	L	-0.7006
6	Q	L	0.0000
7	S	L	-0.7940
8	P	L	-0.3708
9	A	L	-0.5243
10	T	L	-0.5347
11	L	L	-0.1648
12	S	L	-0.1935
13	L	L	-0.4846
14	S	L	-0.8880
15	P	L	-1.3197
16	G	L	-1.6565
17	E	L	-2.0328
18	R	L	-2.5082
19	A	L	0.0000
20	T	L	-0.6540
21	L	L	0.0000
22	S	L	-0.8248
23	C	L	0.0000
24	R	L	-2.2460
25	A	L	0.0000
26	S	L	-0.8365
27	Q	L	-1.3948
28	S	L	-1.2870
29	V	L	0.0000
30	S	L	-1.0109
36	D	L	-1.7236
37	A	L	-0.9477
38	Y	L	-0.1616
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8410
44	Q	L	0.0000
45	K	L	-1.4701
46	P	L	-1.0969
47	G	L	-1.3952
48	Q	L	-2.0965
49	A	L	-1.3571
50	P	L	0.0000
51	R	L	-1.6497
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0681
56	D	L	-0.5808
57	A	L	0.0000
65	S	L	-0.6278
66	S	L	-0.5866
67	R	L	-1.0055
68	A	L	-0.7430
69	T	L	-0.5447
70	G	L	-0.6377
71	V	L	0.0000
72	P	L	-0.5134
74	A	L	-0.3260
75	R	L	-0.6718
76	F	L	0.0000
77	S	L	-0.5734
78	G	L	-0.5641
79	S	L	-0.6925
80	G	L	-1.0788
83	S	L	-1.2531
84	G	L	-1.3131
85	T	L	-1.5861
86	D	L	-1.9903
87	F	L	0.0000
88	T	L	-0.7600
89	L	L	0.0000
90	T	L	-0.5989
91	I	L	0.0000
92	S	L	-1.2125
93	S	L	-1.6347
94	L	L	0.0000
95	E	L	-2.1293
96	P	L	-1.2335
97	E	L	-1.7578
98	D	L	0.0000
99	F	L	-0.3219
100	A	L	0.0000
101	V	L	-0.3678
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	H	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	I	L	0.3112
109	Q	L	-0.2410
113	L	L	0.4089
114	H	L	-1.0714
115	S	L	-1.1273
116	F	L	0.0000
117	T	L	-0.2159
118	F	L	0.0671
119	G	L	0.0000
120	Q	L	-1.2400
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2168
124	V	L	0.0000
125	E	L	0.0052
126	I	L	1.0277
127	K	L	-0.8275