Project name: 5I5K

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYIFSNYWIQWVRQAPGQGLEWMGEILPGSGSTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCGASENIYGALNWYQQKPGKAPKLLIYGATNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQNVLNTPLTFGQGTKVEIK
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.                                          (00:01:09)

• Minimal score value: -3.7511
• Maximal score value: 1.6753
• Average score: -0.5624
• Total score value: -128.7832

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	-1.3430
2	V	H	-0.4778
3	Q	H	-0.8261
4	L	H	0.0000
5	V	H	0.1811
6	Q	H	0.0000
7	S	H	-0.5055
8	G	H	-0.4217
9	A	H	0.3718
11	E	H	0.1689
12	V	H	1.0535
13	K	H	-0.9306
14	K	H	-2.1827
15	P	H	-2.2862
16	G	H	-1.6231
17	A	H	-1.2582
18	S	H	-1.3338
19	V	H	0.0000
20	K	H	-1.9673
21	V	H	0.0000
22	S	H	-0.6424
23	C	H	0.0000
24	K	H	-0.9325
25	A	H	0.0000
26	S	H	-0.3434
27	G	H	-0.4181
28	Y	H	0.5517
29	I	H	1.6753
30	F	H	0.0000
35	S	H	-0.1602
36	N	H	-0.4508
37	Y	H	0.4669
38	W	H	0.3046
39	I	H	0.0000
40	Q	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5291
45	A	H	-0.9031
46	P	H	-0.9175
47	G	H	-1.2125
48	Q	H	-1.8537
49	G	H	-1.3548
50	L	H	0.0000
51	E	H	-0.9896
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	L	H	-0.2216
58	P	H	0.0000
59	G	H	-0.7325
62	S	H	-0.5984
63	G	H	-0.5165
64	S	H	-0.5330
65	T	H	-0.6069
66	E	H	-1.5832
67	Y	H	-1.8478
68	T	H	0.0000
69	E	H	-3.6153
70	N	H	-2.9799
71	F	H	0.0000
72	K	H	-3.7511
74	D	H	-3.3175
75	R	H	-2.0593
76	V	H	0.0000
77	T	H	-1.1331
78	M	H	0.0000
79	T	H	-0.5551
80	R	H	-0.8764
81	D	H	-0.9575
82	T	H	-0.6317
83	S	H	-0.4775
84	T	H	-0.6026
85	S	H	-0.4622
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.6930
89	M	H	0.0000
90	E	H	-1.2979
91	L	H	0.0000
92	S	H	-1.2798
93	S	H	-1.3908
94	L	H	0.0000
95	R	H	-3.0555
96	S	H	-2.3348
97	E	H	-2.4638
98	D	H	0.0000
99	T	H	-0.6706
100	A	H	0.0000
101	V	H	0.5681
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	F	H	1.0034
109	F	H	0.7341
110	G	H	0.0839
111	S	H	-0.2405
111A	S	H	-0.3706
112A	P	H	-0.0691
112	N	H	-0.0776
113	W	H	0.4775
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.3330
117	V	H	-0.1821
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3169
121	G	H	-0.5207
122	T	H	0.0000
123	L	H	1.1020
124	V	H	0.0000
125	T	H	-0.0516
126	V	H	0.0000
127	S	H	-0.9647
128	S	H	-0.8591
1	D	L	-2.5744
2	I	L	0.0000
3	Q	L	-2.0114
4	M	L	0.0000
5	T	L	-0.9417
6	Q	L	0.0000
7	S	L	-0.6274
8	P	L	-0.7041
9	S	L	-1.0209
10	S	L	-1.3734
11	L	L	-0.9243
12	S	L	-1.0452
13	A	L	0.0000
14	S	L	-0.1904
15	V	L	0.6610
16	G	L	-0.3935
17	D	L	-1.3918
18	R	L	-2.0988
19	V	L	0.0000
20	T	L	-0.6024
21	I	L	0.0000
22	T	L	-0.5746
23	C	L	0.0000
24	G	L	-1.3854
25	A	L	-1.4672
26	S	L	-1.6928
27	E	L	-1.7252
28	N	L	-1.2071
29	I	L	0.0000
36	Y	L	0.6180
37	G	L	0.0655
38	A	L	0.2532
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9803
44	Q	L	0.0000
45	K	L	-1.8634
46	P	L	-1.2908
47	G	L	-1.6546
48	K	L	-2.6036
49	A	L	-1.6210
50	P	L	0.0000
51	K	L	-1.4434
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0514
56	G	L	-0.1736
57	A	L	0.0000
65	T	L	-0.4604
66	N	L	-0.7788
67	L	L	-0.2964
68	A	L	0.0000
69	D	L	-1.9685
70	G	L	-1.2066
71	V	L	-0.7207
72	P	L	-0.4925
74	S	L	-0.3570
75	R	L	-0.7256
76	F	L	0.0000
77	S	L	-0.3664
78	G	L	0.0000
79	S	L	-0.7847
80	G	L	-0.8360
83	S	L	-0.6663
84	G	L	-0.7483
85	T	L	-1.4177
86	D	L	-2.1343
87	F	L	0.0000
88	T	L	-0.6220
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.3254
93	S	L	-0.9920
94	L	L	0.0000
95	Q	L	-0.6290
96	P	L	-0.6331
97	E	L	-1.5725
98	D	L	0.0000
99	F	L	-0.7901
100	A	L	0.0000
101	T	L	-1.3723
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	N	L	0.0000
107	V	L	0.0000
108	L	L	0.3041
109	N	L	-0.6725
114	T	L	-0.9595
115	P	L	-1.3142
116	L	L	0.0000
117	T	L	-0.8650
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7403
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.4668
124	V	L	0.0000
125	E	L	-1.5133
126	I	L	0.5838
127	K	L	-0.9572