Project name: 1349

Chain sequence(s)	H: EVQLLESGGGSVQPGGSLRLSCAASGVTYSHYWLAWFRQAPGKEREGVAAIYTNDGTTYYGDSVKGRFTISLDNSKNTLYLQMSSLTAEDTAVYYCALRINDGSWFSPLQPYHYNYRGQGTQVTVSS
Selected Chain(s)	H
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 H 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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.311
• Maximal score value: 1.4939
• Average score: -0.69
• Total score value: -87.6259

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	E	H	-1.9293
2	V	H	-1.4067
3	Q	H	-1.4090
4	L	H	0.0000
5	L	H	0.3511
6	E	H	0.0000
7	S	H	-0.3982
8	G	H	-0.7568
9	G	H	-0.7871
11	G	H	-0.6312
12	S	H	-0.6161
13	V	H	-0.6888
14	Q	H	-1.5239
15	P	H	-1.3488
16	G	H	-1.0192
17	G	H	-0.8799
18	S	H	-0.8146
19	L	H	-0.6938
20	R	H	-1.2148
21	L	H	0.0000
22	S	H	-0.1331
23	C	H	0.0000
24	A	H	-0.2676
25	A	H	0.0000
26	S	H	-0.7096
27	G	H	-0.8686
28	V	H	-0.4134
29	T	H	0.0812
30	Y	H	0.1501
35	S	H	-0.8143
36	H	H	-1.3234
37	Y	H	0.0000
38	W	H	0.0000
39	L	H	0.0000
40	A	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.7023
45	A	H	-1.6499
46	P	H	-1.2511
47	G	H	-1.8106
48	K	H	-3.1920
49	E	H	-3.3110
50	R	H	-2.1166
51	E	H	-2.1177
52	G	H	-1.1004
53	V	H	0.0000
54	A	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	Y	H	-0.5607
58	T	H	-1.1721
59	N	H	-1.7166
62	D	H	-2.2655
63	G	H	-1.2459
64	T	H	-0.5852
65	T	H	-0.1237
66	Y	H	0.1070
67	Y	H	-0.6867
68	G	H	-1.4033
69	D	H	-2.4088
70	S	H	-1.8364
71	V	H	0.0000
72	K	H	-2.5816
74	G	H	-1.7278
75	R	H	-1.3182
76	F	H	0.0000
77	T	H	-0.6976
78	I	H	0.0000
79	S	H	-0.2375
80	L	H	-0.6377
81	D	H	-1.5383
82	N	H	-2.2634
83	S	H	-1.8716
84	K	H	-2.5921
85	N	H	-2.0466
86	T	H	-1.1002
87	L	H	0.0000
88	Y	H	-0.0970
89	L	H	0.0000
90	Q	H	-0.8655
91	M	H	0.0000
92	S	H	-0.7880
93	S	H	-0.8211
94	L	H	0.0000
95	T	H	-1.0577
96	A	H	-1.1570
97	E	H	-1.8611
98	D	H	0.0000
99	T	H	-0.7172
100	A	H	0.0000
101	V	H	-0.1462
102	Y	H	0.0000
103	Y	H	-0.4534
104	C	H	0.0000
105	A	H	0.0000
106	L	H	0.0000
107	R	H	0.0000
108	I	H	-0.2075
109	N	H	-1.2028
110	D	H	-1.2039
111	G	H	-0.7260
111A	S	H	0.1723
111B	W	H	1.2905
111C	F	H	1.4939
112D	S	H	0.9092
112C	P	H	0.0000
112B	L	H	0.2717
112A	Q	H	-0.4461
112	P	H	-0.5019
113	Y	H	0.7073
114	H	H	-0.0920
115	Y	H	0.0000
116	N	H	-0.9012
117	Y	H	-0.6568
118	R	H	-1.3258
119	G	H	-0.8566
120	Q	H	-1.2786
121	G	H	-0.6453
122	T	H	-0.4961
123	Q	H	-0.7644
124	V	H	0.0000
125	T	H	-0.7148
126	V	H	0.0000
127	S	H	-0.9236
128	S	H	-0.7353