Project name: 801db112a1160a2

Chain sequence(s)	I: DIQMTQSPSSLSASVGDRVTITCRASQSIHSFLSWYQQKPGKAPKLLINSASTLQSGVPPWFSGSGSGTDFTLTISSLQPEDFATYYCQQSYIAPWTFGQGTKVEIK
Selected Chain(s)	I
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 I 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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.7769
• Maximal score value: 2.7794
• Average score: -0.3911
• Total score value: -41.4547

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
2	I	I	0.7853
3	Q	I	-0.9622
4	M	I	-0.6781
5	T	I	-0.8125
6	Q	I	-1.0200
7	S	I	-0.8587
8	P	I	-0.5209
9	S	I	-0.7922
10	S	I	-0.8263
11	L	I	-0.5755
12	S	I	-0.8561
13	A	I	0.0000
14	S	I	0.0561
15	V	I	0.9714
16	G	I	-0.3213
17	D	I	-1.2431
18	R	I	-2.0387
19	V	I	-1.0255
20	T	I	-0.5124
21	I	I	0.0000
22	T	I	-0.8678
23	C	I	0.0000
24	R	I	-2.7769
25	A	I	-1.9163
26	S	I	-1.5064
27	Q	I	-1.9260
28	S	I	-1.2672
29	I	I	-0.5327
36	H	I	-0.7704
37	S	I	-0.0267
38	F	I	1.4256
39	L	I	0.0000
40	S	I	0.1011
41	W	I	0.0000
42	Y	I	0.2134
43	Q	I	0.0000
44	Q	I	-1.3811
45	K	I	-1.9127
46	P	I	-1.3533
47	G	I	-1.6146
48	K	I	-2.4520
49	A	I	-1.5807
50	P	I	-1.4945
51	K	I	-1.5402
52	L	I	-0.2607
53	L	I	0.0000
54	I	I	0.0000
55	N	I	-0.1811
56	S	I	0.3835
57	A	I	0.0000
65	S	I	-0.1760
66	T	I	-0.1236
67	L	I	-0.0678
68	Q	I	-0.6508
69	S	I	-0.5993
70	G	I	-0.6008
71	V	I	-0.2529
72	P	I	-0.1151
74	P	I	-0.0866
75	W	I	0.3021
76	F	I	0.0000
77	S	I	-0.1423
78	G	I	-0.3326
79	S	I	-0.6465
80	G	I	-0.9557
83	S	I	-0.7814
84	G	I	-1.5218
85	T	I	-1.9705
86	D	I	-2.3832
87	F	I	0.0000
88	T	I	-0.7980
89	L	I	0.0000
90	T	I	-0.4627
91	I	I	0.0000
92	S	I	-0.9537
93	S	I	-0.6510
94	L	I	0.0000
95	Q	I	-0.4568
96	P	I	-0.6011
97	E	I	-1.7915
98	D	I	0.0000
99	F	I	-0.5118
100	A	I	0.0000
101	T	I	-0.7456
102	Y	I	0.0000
103	Y	I	0.3062
104	C	I	0.0000
105	Q	I	0.1141
106	Q	I	0.4696
107	S	I	1.3102
108	Y	I	2.3942
109	I	I	2.7794
114	A	I	1.5275
115	P	I	1.1283
116	W	I	1.7490
117	T	I	1.2720
118	F	I	1.7381
119	G	I	0.1124
120	Q	I	-0.8710
121	G	I	0.0000
122	T	I	0.0000
123	K	I	-1.0093
124	V	I	0.0000
125	E	I	-1.3762
126	I	I	0.5024
127	K	I	-1.0562