Project name: 2E6

Chain sequence(s)	H: QLQLVESGGGLVQAGDSLRLACAASGRTFSTYAMGWFRQAPGKEREFVAAVNWAGDMTYYADSVKGRFTISRDNAKNTVYLQMDSLKPEDTAVYYCAAEGRGLTRWSQTVAEYDYWGQGTQVTVSS
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.3942
• Maximal score value: 1.0452
• Average score: -0.7136
• Total score value: -89.912

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	-1.9003
2	L	H	0.0000
3	Q	H	-1.2140
4	L	H	0.0000
5	V	H	0.8348
6	E	H	0.0000
7	S	H	-0.3082
8	G	H	-0.8978
9	G	H	-0.5365
11	G	H	0.1221
12	L	H	1.0452
13	V	H	-0.2474
14	Q	H	-1.6086
15	A	H	-2.0649
16	G	H	-1.9365
17	D	H	-1.9210
18	S	H	-1.6054
19	L	H	-0.7535
20	R	H	-1.2509
21	L	H	0.0000
22	A	H	-0.1236
23	C	H	0.0000
24	A	H	-0.2776
25	A	H	0.0000
26	S	H	-1.2383
27	G	H	-2.0308
28	R	H	-2.3648
29	T	H	-1.2749
30	F	H	0.0000
35	S	H	-0.3774
36	T	H	-0.2626
37	Y	H	0.1731
38	A	H	0.1732
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.7292
45	A	H	-1.6705
46	P	H	-1.3161
47	G	H	-1.8836
48	K	H	-3.2548
49	E	H	-3.3942
50	R	H	-2.2371
51	E	H	-2.1312
52	F	H	-0.6479
53	V	H	0.0000
54	A	H	0.0000
55	A	H	0.0000
56	V	H	0.0000
57	N	H	0.1066
58	W	H	0.7308
59	A	H	-0.1016
62	G	H	-0.6793
63	D	H	-1.2881
64	M	H	0.2433
65	T	H	0.2052
66	Y	H	-0.0185
67	Y	H	-0.9043
68	A	H	-1.5381
69	D	H	-2.4894
70	S	H	-1.7115
71	V	H	0.0000
72	K	H	-2.6102
74	G	H	-1.8034
75	R	H	-1.6039
76	F	H	0.0000
77	T	H	-0.6928
78	I	H	0.0000
79	S	H	-0.4656
80	R	H	-0.9436
81	D	H	-1.3346
82	N	H	-1.4018
83	A	H	-1.3692
84	K	H	-2.2438
85	N	H	-2.0476
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.1784
89	L	H	0.0000
90	Q	H	-0.7811
91	M	H	0.0000
92	D	H	-1.7106
93	S	H	-1.7038
94	L	H	0.0000
95	K	H	-2.9717
96	P	H	-2.0747
97	E	H	-2.4605
98	D	H	0.0000
99	T	H	-0.8490
100	A	H	0.0000
101	V	H	-0.1988
102	Y	H	0.0000
103	Y	H	-0.1040
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	E	H	0.0000
108	G	H	-0.9501
109	R	H	-0.9077
110	G	H	-0.2024
111	L	H	0.5467
111A	T	H	-0.3034
111B	R	H	-1.5948
111C	W	H	-0.5585
112C	S	H	0.0000
112B	Q	H	-1.3292
112A	T	H	-0.4781
112	V	H	0.1438
113	A	H	-0.1655
114	E	H	-0.9168
115	Y	H	0.0000
116	D	H	-1.2572
117	Y	H	-0.5572
118	W	H	-0.0058
119	G	H	-0.1907
120	Q	H	-0.9326
121	G	H	0.0000
122	T	H	-0.4673
123	Q	H	-0.6863
124	V	H	0.0000
125	T	H	-0.2350
126	V	H	0.0000
127	S	H	-0.8559
128	S	H	-0.9028