Project name: 1DQL

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMHWVRQAPGKGLEWVAVISSDGGNKYYTDSVKGRFTISRNDSKNTLYLQMNSLRTEDTAVFYCARGNPPYSSGWGGGDYWGQGTMVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDIRNDLGWYQQKPGKAPKKLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLQQNSNWTFGQGTKVDIK
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.0291
• Maximal score value: 1.2733
• Average score: -0.6849
• Total score value: -156.8356

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	-1.4620
2	V	H	-0.7863
3	Q	H	-0.9238
4	L	H	0.0000
5	V	H	0.4424
6	E	H	0.0000
7	S	H	-0.4183
8	G	H	-0.6867
9	G	H	-0.1158
11	G	H	0.4091
12	L	H	1.2733
13	V	H	-0.0466
14	Q	H	-1.4331
15	P	H	-1.8376
16	G	H	-1.5986
17	G	H	-1.0247
18	S	H	-1.0434
19	L	H	-0.3380
20	R	H	-1.0951
21	L	H	0.0000
22	S	H	-0.2290
23	C	H	0.0000
24	A	H	-0.4055
25	A	H	0.0000
26	S	H	-0.8206
27	G	H	-0.9940
28	F	H	-0.4391
29	T	H	-0.2966
30	F	H	0.0000
35	S	H	-1.0650
36	S	H	-0.3511
37	Y	H	-0.1885
38	A	H	-0.6428
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7434
45	A	H	-1.1559
46	P	H	-0.9234
47	G	H	-1.4855
48	K	H	-2.3828
49	G	H	-1.6405
50	L	H	0.0000
51	E	H	-1.0632
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	S	H	-1.3794
58	S	H	-1.4095
59	D	H	-2.4333
62	G	H	-1.9699
63	G	H	-1.8635
64	N	H	-2.0338
65	K	H	-1.0591
66	Y	H	-0.2726
67	Y	H	-0.7381
68	T	H	-1.2407
69	D	H	-2.4289
70	S	H	-1.7274
71	V	H	0.0000
72	K	H	-2.5502
74	G	H	-1.7745
75	R	H	-1.7881
76	F	H	0.0000
77	T	H	-0.6979
78	I	H	0.0000
79	S	H	-0.5164
80	R	H	-1.4415
81	N	H	-2.1482
82	D	H	-2.3184
83	S	H	-1.8089
84	K	H	-2.6589
85	N	H	-2.2452
86	T	H	-1.3398
87	L	H	0.0000
88	Y	H	-0.3013
89	L	H	0.0000
90	Q	H	-0.6908
91	M	H	0.0000
92	N	H	-1.2609
93	S	H	-1.4021
94	L	H	0.0000
95	R	H	-3.0291
96	T	H	-2.1501
97	E	H	-2.5168
98	D	H	0.0000
99	T	H	-0.6902
100	A	H	0.0000
101	V	H	0.3352
102	F	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	G	H	0.0000
108	N	H	0.0000
109	P	H	-0.0445
110	P	H	0.2511
111	Y	H	1.0082
111A	S	H	0.1698
112B	S	H	-0.2682
112A	G	H	-0.4429
112	W	H	-0.4581
113	G	H	-0.4124
114	G	H	-0.0841
115	G	H	0.0000
116	D	H	-0.2583
117	Y	H	0.0229
118	W	H	-0.1525
119	G	H	0.0000
120	Q	H	-1.3666
121	G	H	-0.5869
122	T	H	-0.0251
123	M	H	0.5974
124	V	H	0.0000
125	T	H	-0.0192
126	V	H	0.0000
127	S	H	-0.9180
128	S	H	-0.7624
1	D	L	-2.3599
2	I	L	0.0000
3	Q	L	-2.3041
4	M	L	0.0000
5	T	L	-1.4538
6	Q	L	0.0000
7	S	L	-0.9224
8	P	L	-0.7009
9	S	L	-1.0201
10	S	L	-1.0317
11	L	L	-0.4932
12	S	L	-0.5406
13	A	L	0.0000
14	S	L	-0.1082
15	V	L	0.7046
16	G	L	-0.6462
17	D	L	-1.9464
18	R	L	-2.3609
19	V	L	0.0000
20	T	L	-0.6402
21	I	L	0.0000
22	T	L	-0.7940
23	C	L	0.0000
24	R	L	-2.8190
25	A	L	0.0000
26	S	L	-2.1993
27	Q	L	-2.8892
28	D	L	-2.8554
29	I	L	0.0000
36	R	L	-2.8521
37	N	L	-2.1916
38	D	L	-1.4868
39	L	L	0.0000
40	G	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-1.0310
44	Q	L	0.0000
45	K	L	-1.7919
46	P	L	-1.2935
47	G	L	-1.6186
48	K	L	-2.6075
49	A	L	-1.6288
50	P	L	0.0000
51	K	L	-1.6172
52	K	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4319
56	A	L	-0.4089
57	A	L	0.0000
65	S	L	-0.2886
66	S	L	0.1610
67	L	L	0.4405
68	Q	L	-0.2153
69	S	L	-0.4209
70	G	L	-0.5710
71	V	L	0.0000
72	P	L	-0.3958
74	S	L	-0.4183
75	R	L	-0.7999
76	F	L	0.0000
77	S	L	-0.3275
78	G	L	-0.1646
79	S	L	-0.7379
80	G	L	-1.3644
83	S	L	-1.7345
84	G	L	-2.3099
85	T	L	-2.3805
86	D	L	-2.3935
87	F	L	0.0000
88	T	L	-0.7074
89	L	L	0.0000
90	T	L	-0.6336
91	I	L	0.0000
92	S	L	-1.4006
93	S	L	-1.1510
94	L	L	0.0000
95	Q	L	-0.7891
96	P	L	-0.6537
97	E	L	-1.8718
98	D	L	0.0000
99	F	L	-0.3718
100	A	L	0.0000
101	T	L	-1.0429
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Q	L	0.0000
108	N	L	-1.2578
114	S	L	-0.8384
115	N	L	-0.7179
116	W	L	0.0000
117	T	L	-0.8788
118	F	L	-0.5007
119	G	L	0.0000
120	Q	L	-1.9067
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.0267
124	V	L	0.0000
125	D	L	-0.3750
126	I	L	1.2301
127	K	L	-0.7316