Project name: 1DEE

Chain sequence(s)	H: QVQLVESGGGVVQPGKSLRLSCAASGFTFSGYGMHWVRQAPGKGLEWVALISYDESNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVKFYDPTAPNDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRTSQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSAPRTFGQGTKVEIK
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                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -2.707
• Maximal score value: 1.7431
• Average score: -0.4968
• Total score value: -113.2797

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	-1.4603
2	V	H	-0.8146
3	Q	H	-1.0910
4	L	H	0.0000
5	V	H	0.4608
6	E	H	0.0000
7	S	H	-0.2513
8	G	H	-0.5254
9	G	H	0.2451
11	G	H	0.9082
12	V	H	1.7431
13	V	H	0.0490
14	Q	H	-1.1773
15	P	H	-1.7490
16	G	H	-1.9022
17	K	H	-2.2168
18	S	H	-1.4348
19	L	H	-0.7659
20	R	H	-1.2156
21	L	H	0.0000
22	S	H	-0.2244
23	C	H	0.0000
24	A	H	-0.3287
25	A	H	0.0000
26	S	H	-0.9973
27	G	H	-1.0793
28	F	H	-0.4062
29	T	H	-0.2106
30	F	H	0.0000
35	S	H	-0.5696
36	G	H	0.4214
37	Y	H	0.6860
38	G	H	0.1978
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7066
45	A	H	-1.0823
46	P	H	-0.8658
47	G	H	-1.4786
48	K	H	-2.3603
49	G	H	-1.5851
50	L	H	0.0000
51	E	H	-1.0159
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	L	H	0.3062
56	I	H	0.0000
57	S	H	-0.2193
58	Y	H	0.3671
59	D	H	-1.1611
62	E	H	-1.4264
63	S	H	-1.2153
64	N	H	-1.1470
65	K	H	-0.5772
66	Y	H	0.2234
67	Y	H	-0.4771
68	A	H	0.0000
69	D	H	-2.5409
70	S	H	-1.7169
71	V	H	0.0000
72	K	H	-2.2896
74	G	H	-1.6286
75	R	H	-1.3538
76	F	H	0.0000
77	T	H	-0.6102
78	I	H	0.0000
79	S	H	-0.4024
80	R	H	0.0000
81	D	H	-1.5602
82	N	H	-1.6666
83	S	H	-1.5693
84	K	H	-2.3904
85	N	H	-1.8454
86	T	H	-1.0130
87	L	H	0.0000
88	Y	H	-0.2449
89	L	H	0.0000
90	Q	H	-0.7909
91	M	H	0.0000
92	N	H	-1.5240
93	S	H	-1.5781
94	L	H	0.0000
95	R	H	-2.4051
96	A	H	-1.6428
97	E	H	-2.2417
98	D	H	0.0000
99	T	H	-0.3913
100	A	H	0.0000
101	V	H	0.5449
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	V	H	0.0000
108	K	H	0.1318
109	F	H	0.7585
110	Y	H	1.2195
111	D	H	-0.2210
112A	P	H	-0.1216
112	T	H	0.2330
113	A	H	0.0000
114	P	H	0.0000
115	N	H	0.0000
116	D	H	-0.0788
117	Y	H	0.1334
118	W	H	-0.2485
119	G	H	0.0000
120	Q	H	-1.4346
121	G	H	-0.4176
122	T	H	0.3789
123	L	H	1.4751
124	V	H	0.0000
125	T	H	0.4623
126	V	H	0.0000
127	S	H	-0.5341
128	S	H	-0.5008
1	D	L	-2.4264
2	I	L	0.0000
3	Q	L	-2.2377
4	M	L	0.0000
5	T	L	-1.4325
6	Q	L	0.0000
7	S	L	-0.7356
8	P	L	-0.5268
9	S	L	-0.8779
10	S	L	-1.0631
11	L	L	-0.6579
12	S	L	-0.8158
13	A	L	0.0000
14	S	L	-0.0488
15	V	L	0.8640
16	G	L	-0.3601
17	D	L	-1.1955
18	R	L	-2.0579
19	V	L	0.0000
20	T	L	-0.6035
21	I	L	0.0000
22	T	L	-0.8178
23	C	L	0.0000
24	R	L	-2.7070
25	T	L	0.0000
26	S	L	-1.7970
27	Q	L	-1.6751
28	S	L	-0.8885
29	I	L	0.0000
36	S	L	-0.1650
37	S	L	-0.0222
38	Y	L	0.6537
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8893
44	Q	L	0.0000
45	K	L	-1.6487
46	P	L	-1.2449
47	G	L	-1.6630
48	K	L	-2.5548
49	A	L	-1.5642
50	P	L	0.0000
51	K	L	-1.3102
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2623
56	A	L	0.1798
57	A	L	0.0000
65	S	L	-0.1981
66	S	L	0.0830
67	L	L	0.2983
68	Q	L	-0.2620
69	S	L	-0.4033
70	G	L	-0.5594
71	V	L	0.0000
72	P	L	-0.3872
74	S	L	-0.4215
75	R	L	-0.6981
76	F	L	0.0000
77	S	L	-0.3329
78	G	L	-0.2661
79	S	L	-0.6545
80	G	L	-0.9683
83	S	L	-0.9194
84	G	L	-1.0023
85	T	L	-1.5892
86	D	L	-2.0615
87	F	L	0.0000
88	T	L	-0.7389
89	L	L	0.0000
90	T	L	-0.6116
91	I	L	0.0000
92	S	L	-1.1877
93	S	L	-0.9362
94	L	L	0.0000
95	Q	L	-0.7049
96	P	L	-0.5856
97	E	L	-1.8639
98	D	L	0.0000
99	F	L	-0.5094
100	A	L	0.0000
101	T	L	-1.0654
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	S	L	0.0000
108	Y	L	0.9782
109	S	L	0.1378
114	A	L	0.0786
115	P	L	-0.4768
116	R	L	0.0000
117	T	L	-0.6675
118	F	L	-0.4462
119	G	L	0.0000
120	Q	L	-1.7256
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6286
124	V	L	0.0000
125	E	L	-1.0625
126	I	L	0.6975
127	K	L	-0.8352