Project name: 1A4

Chain sequence(s)	H: SVKESGGRLVTPGTPLTLTCTVSGFSLSGFAMGWVRQAPGKGLEYIGLISAYDDTFYASWAKGRFTISKTSTTVDLKIVSPTTEDTATYFCARYGPYGGNSYDTWGPGTLVTVSS; L: AAVLTQTPASVSAAVGDTVTINCQSSPSVTSNYLSWFQQKPGQPPKLLIYDASDLASGVPSRFSGSGSGTQFTLTISGVQSDDAATYYCLGEYDSTTDAFGGGTNVEIK
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -2.2798
• Maximal score value: 1.5342
• Average score: -0.4036
• Total score value: -90.4033

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
3	S	H	-0.6971
4	V	H	0.0000
5	K	H	-1.4857
6	E	H	0.0000
7	S	H	-0.6698
8	G	H	-0.5359
9	G	H	-0.1903
11	R	H	-0.4219
12	L	H	0.6068
13	V	H	0.0000
14	T	H	-0.3022
15	P	H	-0.6749
16	G	H	-0.5786
17	T	H	-0.3367
18	P	H	-0.2884
19	L	H	0.0000
20	T	H	-0.4724
21	L	H	0.0000
22	T	H	-0.6632
23	C	H	0.0000
24	T	H	-0.5961
25	V	H	-0.4557
26	S	H	-0.5916
27	G	H	-0.4881
28	F	H	-0.1283
29	S	H	-0.2783
30	L	H	0.0000
35	S	H	-0.3370
36	G	H	-0.0973
37	F	H	0.4302
38	A	H	0.0000
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.8314
45	A	H	-1.1210
46	P	H	-0.9098
47	G	H	-1.4865
48	K	H	-2.2798
49	G	H	-1.4396
50	L	H	0.0000
51	E	H	-0.9150
52	Y	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	A	H	-0.2671
59	Y	H	-0.0940
63	D	H	-2.0913
64	D	H	-2.1909
65	T	H	-0.9894
66	F	H	-0.4350
67	Y	H	-0.2583
68	A	H	-0.3306
69	S	H	-0.5052
70	W	H	-0.3905
71	A	H	0.0000
72	K	H	-1.9140
74	G	H	-1.3071
75	R	H	-0.9229
76	F	H	0.0000
77	T	H	-0.6332
78	I	H	0.0000
79	S	H	-1.0576
80	K	H	-0.9226
81	T	H	-0.4574
84	S	H	-0.4131
85	T	H	-0.2908
86	T	H	-0.4752
87	V	H	0.0000
88	D	H	-0.7163
89	L	H	0.0000
90	K	H	-0.7011
91	I	H	0.0000
92	V	H	0.1997
93	S	H	-0.2495
94	P	H	0.0000
95	T	H	-0.8269
96	T	H	-1.1046
97	E	H	-1.8867
98	D	H	0.0000
99	T	H	-0.4075
100	A	H	0.0000
101	T	H	0.4670
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.2450
107	Y	H	0.0896
108	G	H	0.0000
109	P	H	0.4586
110	Y	H	1.0663
111	G	H	0.0000
112	G	H	0.0000
113	N	H	0.0000
114	S	H	0.0000
115	Y	H	0.0000
116	D	H	-1.0014
117	T	H	-0.7332
118	W	H	-0.7902
119	G	H	0.0000
120	P	H	-0.7767
121	G	H	-0.3871
122	T	H	0.0923
123	L	H	1.1930
124	V	H	0.0000
125	T	H	0.1384
126	V	H	0.0000
127	S	H	-0.0772
128	S	H	-0.1629
1	A	L	0.3851
2	A	L	0.7850
3	V	L	1.5342
4	L	L	0.0000
5	T	L	-0.1791
6	Q	L	-0.4068
7	T	L	-0.5127
8	P	L	-0.2878
9	A	L	-0.3486
10	S	L	-0.6127
11	V	L	-0.2984
12	S	L	-0.8270
13	A	L	0.0000
14	A	L	-0.5742
15	V	L	0.6319
16	G	L	-0.5531
17	D	L	-1.1530
18	T	L	-0.6404
19	V	L	0.0000
20	T	L	-0.1532
21	I	L	0.0000
22	N	L	-0.7494
23	C	L	0.0000
24	Q	L	-0.9304
25	S	L	0.0000
26	S	L	-0.0042
27	P	L	-0.1674
28	S	L	-0.6161
29	V	L	0.0000
30	T	L	-0.6468
36	S	L	-0.6389
37	N	L	-0.7527
38	Y	L	-0.0782
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.1351
45	K	L	-1.5365
46	P	L	-1.1429
47	G	L	-1.3442
48	Q	L	-1.9103
49	P	L	-1.2337
50	P	L	0.0000
51	K	L	-1.4549
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2261
56	D	L	-0.5934
57	A	L	0.0000
65	S	L	-1.0672
66	D	L	-1.4187
67	L	L	-0.4247
68	A	L	-0.5320
69	S	L	-0.5336
70	G	L	-0.4659
71	V	L	-0.3030
72	P	L	-0.3660
74	S	L	-0.4652
75	R	L	-0.7545
76	F	L	0.0000
77	S	L	-0.5905
78	G	L	-0.5807
79	S	L	-0.8024
80	G	L	-0.9340
83	S	L	-0.7907
84	G	L	-0.7630
85	T	L	-0.8737
86	Q	L	-1.2375
87	F	L	0.0000
88	T	L	-0.6180
89	L	L	0.0000
90	T	L	-0.3085
91	I	L	0.0000
92	S	L	-0.6970
93	G	L	-0.7020
94	V	L	0.0000
95	Q	L	-1.0339
96	S	L	-1.3043
97	D	L	-2.0781
98	D	L	0.0000
99	A	L	-1.2769
100	A	L	0.0000
101	T	L	-0.7585
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	G	L	0.0000
107	E	L	0.0000
108	Y	L	0.0000
109	D	L	-1.8270
113	S	L	-0.9207
114	T	L	-0.5050
115	T	L	-0.2221
116	D	L	0.0000
117	A	L	0.3573
118	F	L	0.1792
119	G	L	0.0000
120	G	L	-0.6411
121	G	L	-0.7443
122	T	L	0.0000
123	N	L	-1.0814
124	V	L	0.0000
125	E	L	-1.7789
126	I	L	-1.0774
127	K	L	-1.5462