Project name: 2510-19.pdb

Chain sequence(s)	H: QVQLVQSGAEEKKPGASVKVSCKASDYTFTDYNMNWVRQAPGQRLEWMGNIDPYSGGTSYNQKFKGRVTITRDTSASTAYMELSSLRSEDTAVYYCARGHYYGSSYVYAMDYWGQGTTVTVSS; L: DIVMTQSPDSLAVSLGERATISCKSSQSLLYSSNQKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSYPWTFGQGTKVEIK
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                                          (00:02:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:51)

• Minimal score value: -2.9143
• Maximal score value: 1.5443
• Average score: -0.6133
• Total score value: -144.7472

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	-1.8954
2	V	H	-1.3088
3	Q	H	-1.5125
4	L	H	0.0000
5	V	H	0.7850
6	Q	H	0.0000
7	S	H	-0.4764
8	G	H	-0.5590
9	A	H	-0.8334
11	E	H	-1.9016
12	E	H	-2.7003
13	K	H	-2.6048
14	K	H	-2.8344
15	P	H	-2.3299
16	G	H	-1.4733
17	A	H	-1.1734
18	S	H	-1.3527
19	V	H	0.0000
20	K	H	-2.0689
21	V	H	0.0000
22	S	H	-0.4999
23	C	H	0.0000
24	K	H	-0.6753
25	A	H	0.0000
26	S	H	-1.3633
27	D	H	-2.3242
28	Y	H	-1.2264
29	T	H	-0.7048
30	F	H	0.0000
35	T	H	-0.3072
36	D	H	-0.6456
37	Y	H	0.1139
38	N	H	-0.1907
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	-0.7795
45	A	H	-1.1221
46	P	H	-0.9141
47	G	H	-1.3540
48	Q	H	-2.0571
49	R	H	-1.7561
50	L	H	0.0000
51	E	H	-0.9888
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	D	H	-0.6382
58	P	H	0.0000
59	Y	H	0.4865
62	S	H	0.0187
63	G	H	-0.5456
64	G	H	-0.5668
65	T	H	-0.4134
66	S	H	-0.3258
67	Y	H	-0.7997
68	N	H	-1.6785
69	Q	H	-2.7543
70	K	H	-2.9069
71	F	H	0.0000
72	K	H	-2.9143
74	G	H	-1.9485
75	R	H	-1.6141
76	V	H	0.0000
77	T	H	-0.9217
78	I	H	0.0000
79	T	H	-0.7884
80	R	H	-0.9208
81	D	H	-1.0978
82	T	H	-0.4552
83	S	H	-0.5401
84	A	H	-0.6180
85	S	H	-0.6984
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6826
89	M	H	0.0000
90	E	H	-1.5165
91	L	H	0.0000
92	S	H	-1.1193
93	S	H	-1.1257
94	L	H	0.0000
95	R	H	-2.7869
96	S	H	-2.2098
97	E	H	-2.4637
98	D	H	0.0000
99	T	H	-1.2641
100	A	H	0.0000
101	V	H	0.2234
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	0.0000
109	Y	H	1.3013
110	Y	H	1.5443
111	G	H	0.5531
111A	S	H	0.3254
112B	S	H	0.7041
112A	Y	H	1.2879
112	V	H	1.0528
113	Y	H	0.9547
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.0147
117	Y	H	-0.0130
118	W	H	-0.1309
119	G	H	0.0000
120	Q	H	-1.1243
121	G	H	-0.4905
122	T	H	0.0000
123	T	H	-0.4928
124	V	H	0.0000
125	T	H	-1.6188
126	V	H	0.0000
127	S	H	-1.6106
128	S	H	-1.1773
1	D	L	-1.4502
2	I	L	0.0000
3	V	L	0.7734
4	M	L	0.0000
5	T	L	-0.5215
6	Q	L	0.0000
7	S	L	-1.1150
8	P	L	-1.2423
9	D	L	-2.1590
10	S	L	-1.4470
11	L	L	-0.6844
12	A	L	-0.3642
13	V	L	-0.8821
14	S	L	-0.9010
15	L	L	0.1157
16	G	L	-1.1582
17	E	L	-2.6734
18	R	L	-2.7705
19	A	L	0.0000
20	T	L	-0.5188
21	I	L	0.0000
22	S	L	-0.9387
23	C	L	0.0000
24	K	L	-2.0079
25	S	L	0.0000
26	S	L	-0.9315
27	Q	L	-1.5210
28	S	L	-0.8044
29	L	L	0.0000
30	L	L	-0.1786
31	Y	L	0.0714
32	S	L	-0.6338
33	S	L	-0.7067
34	N	L	-1.0519
35	Q	L	-1.6679
36	K	L	-1.3196
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	-0.7014
45	K	L	-1.0924
46	P	L	-0.7692
47	G	L	-1.2287
48	Q	L	-1.6125
49	P	L	-1.0540
50	P	L	0.0000
51	K	L	-0.9029
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1509
56	W	L	-0.2448
57	A	L	0.0000
65	S	L	-0.6479
66	T	L	-0.5435
67	R	L	-1.3421
68	E	L	-1.0056
69	S	L	-0.7494
70	G	L	-0.9211
71	V	L	-1.0413
72	P	L	-1.2797
74	D	L	-2.1744
75	R	L	-1.5657
76	F	L	0.0000
77	S	L	-0.8850
78	G	L	-0.4601
79	S	L	-0.6044
80	G	L	-1.0638
83	S	L	-1.1332
84	G	L	-0.9997
85	T	L	-1.4908
86	D	L	-1.9993
87	F	L	0.0000
88	T	L	-0.7273
89	L	L	0.0000
90	T	L	-0.6096
91	I	L	0.0000
92	S	L	-1.8624
93	S	L	-1.8001
94	L	L	0.0000
95	Q	L	-1.0413
96	A	L	-0.6020
97	E	L	-1.8511
98	D	L	0.0000
99	V	L	-0.3855
100	A	L	0.0000
101	V	L	-0.4385
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	0.5322
109	S	L	0.0750
114	Y	L	0.5132
115	P	L	-0.3241
116	W	L	0.0000
117	T	L	0.0455
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.1496
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2916
124	V	L	0.0000
125	E	L	-0.6679
126	I	L	0.0048
127	K	L	-1.2432