Project name: 2510-12.pdb

Chain sequence(s)	H: QVQLQQSGPELEKPGASVKISCKASGYSFTDYSMNWVRQSNGKSLEWIGNIDPYSGGTSYNQKFKGKATLTVDKSSSTAYMQLKSLTSEDSAVYYCARGHYYDSTYVYPMDYWGQGTSVTVSS; L: NIMMTQSPSSLAVSVGEKVTMSCKSSQSLLYSSNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVKAEDLAVYYCQQYYSYPWTFGGGTKLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:31)

• Minimal score value: -2.8951
• Maximal score value: 0.9772
• Average score: -0.6043
• Total score value: -142.6095

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	-1.4031
2	V	H	-0.7034
3	Q	H	-1.5765
4	L	H	0.0000
5	Q	H	-1.7220
6	Q	H	-1.0597
7	S	H	-0.9226
8	G	H	-0.5408
9	P	H	-0.2295
11	E	H	-0.1936
12	L	H	0.7933
13	E	H	-0.4720
14	K	H	-1.6349
15	P	H	-1.4396
16	G	H	-1.1951
17	A	H	-0.9755
18	S	H	-1.0750
19	V	H	-0.7996
20	K	H	-1.4889
21	I	H	0.0000
22	S	H	-0.5870
23	C	H	0.0000
24	K	H	-1.2502
25	A	H	0.0000
26	S	H	-1.0050
27	G	H	-1.0226
28	Y	H	-0.5791
29	S	H	-0.3847
30	F	H	0.0000
35	T	H	-0.1627
36	D	H	-0.4073
37	Y	H	0.2682
38	S	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	-1.0024
45	S	H	-1.6644
46	N	H	-2.1915
47	G	H	-1.8840
48	K	H	-2.4953
49	S	H	-1.3530
50	L	H	0.0000
51	E	H	-0.8171
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	D	H	-0.2819
58	P	H	0.0000
59	Y	H	0.5411
62	S	H	0.0987
63	G	H	-0.4206
64	G	H	-0.4693
65	T	H	-0.3685
66	S	H	-0.3124
67	Y	H	-0.8262
68	N	H	-1.5836
69	Q	H	-2.6684
70	K	H	-2.8951
71	F	H	0.0000
72	K	H	-2.8801
74	G	H	-1.9542
75	K	H	-1.8190
76	A	H	0.0000
77	T	H	-0.8353
78	L	H	0.0000
79	T	H	-0.2460
80	V	H	-0.3231
81	D	H	-1.0789
82	K	H	-1.5431
83	S	H	-1.0543
84	S	H	-0.8571
85	S	H	-1.0431
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2360
89	M	H	0.0000
90	Q	H	-1.0751
91	L	H	0.0000
92	K	H	-1.3832
93	S	H	-1.0510
94	L	H	0.0000
95	T	H	-1.3512
96	S	H	-1.3569
97	E	H	-2.0712
98	D	H	0.0000
99	S	H	-0.7688
100	A	H	0.0000
101	V	H	-0.1765
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	G	H	0.0000
108	H	H	0.2964
109	Y	H	0.6518
110	Y	H	0.6293
111	D	H	-1.0591
111A	S	H	-0.4111
112B	T	H	0.1451
112A	Y	H	0.9772
112	V	H	0.0000
113	Y	H	0.8683
114	P	H	0.0000
115	M	H	0.0000
116	D	H	-0.1059
117	Y	H	-0.1330
118	W	H	-0.5880
119	G	H	0.0000
120	Q	H	-1.8068
121	G	H	-0.9266
122	T	H	0.0000
123	S	H	-0.2703
124	V	H	0.0000
125	T	H	-0.1471
126	V	H	-0.7200
127	S	H	-0.5361
128	S	H	-0.7690
1	N	L	-1.1219
2	I	L	0.0000
3	M	L	0.2160
4	M	L	0.0000
5	T	L	-0.7255
6	Q	L	-0.8204
7	S	L	-0.7279
8	P	L	-0.5628
9	S	L	-0.6699
10	S	L	-0.8203
11	L	L	-0.4341
12	A	L	-0.9051
13	V	L	-1.1439
14	S	L	-1.4575
15	V	L	-1.0891
16	G	L	-1.6773
17	E	L	-2.4866
18	K	L	-2.2202
19	V	L	0.0000
20	T	L	-0.5650
21	M	L	0.0000
22	S	L	-0.7830
23	C	L	0.0000
24	K	L	-1.9367
25	S	L	0.0000
26	S	L	-1.0514
27	Q	L	-1.5608
28	S	L	-0.8616
29	L	L	0.0000
30	L	L	-0.3191
31	Y	L	-0.1778
32	S	L	-0.7606
33	S	L	-0.7775
34	N	L	-1.2250
35	Q	L	-1.7791
36	K	L	-1.5495
37	N	L	0.0000
38	Y	L	0.0000
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9972
45	K	L	-1.5922
46	P	L	-1.0572
47	G	L	-1.5319
48	Q	L	-2.1388
49	S	L	-1.3402
50	P	L	0.0000
51	K	L	-0.9114
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2169
56	W	L	-0.0304
57	A	L	0.0000
65	S	L	-0.4197
66	T	L	-0.3365
67	R	L	-1.1464
68	E	L	-0.7731
69	S	L	-0.7307
70	G	L	-0.9614
71	V	L	0.0000
72	P	L	-1.3500
74	D	L	-2.2223
75	R	L	-1.6263
76	F	L	0.0000
77	T	L	-0.8045
78	G	L	0.0000
79	S	L	-0.5531
80	G	L	-1.0158
83	S	L	-1.1159
84	G	L	-1.0485
85	T	L	-1.4737
86	D	L	-2.0558
87	F	L	0.0000
88	T	L	-0.6906
89	L	L	0.0000
90	T	L	-0.4757
91	I	L	0.0000
92	S	L	-1.5040
93	S	L	-1.7997
94	V	L	0.0000
95	K	L	-2.0631
96	A	L	-1.3618
97	E	L	-1.9154
98	D	L	0.0000
99	L	L	-0.4312
100	A	L	0.0000
101	V	L	-0.4348
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	Y	L	0.5551
109	S	L	0.1206
114	Y	L	0.4240
115	P	L	-0.3214
116	W	L	0.0000
117	T	L	0.0362
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8255
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0535
124	L	L	0.0000
125	E	L	-1.3853
126	I	L	-1.2006
127	K	L	-1.9013