Project name: 5d7fc0c136bd304

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKVSGFTLTELSIHWVRQAPGKGLEWMGGFDPEDGETIYAQKFQGRVTMTEDTSTDTAYMELTSLRSEDTAVYYCSTIFGVVTNFDNWGQGTLVTVSS; L: DIQMTQSPSSLSASAGDRVTITCRASQAIRNDLGWYQQKPGKAPKRLIYAAFNLQSGVPSRFSGSGSGTEFTLTISSLQPEDLASYYCQQYNRYPWTFGQGTKVEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)

• Minimal score value: -3.4948
• Maximal score value: 2.0852
• Average score: -0.6055
• Total score value: -136.8515

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	-1.4162
2	V	H	-0.9226
3	Q	H	-1.2014
4	L	H	0.0000
5	V	H	0.6075
6	Q	H	0.0000
7	S	H	-0.3860
8	G	H	-0.4283
9	A	H	0.2694
11	E	H	0.1573
12	V	H	1.0155
13	K	H	-0.8808
14	K	H	-2.0713
15	P	H	-1.8257
16	G	H	-1.4086
17	A	H	-1.0980
18	S	H	-1.2043
19	V	H	0.0000
20	K	H	-1.8435
21	V	H	0.0000
22	S	H	-0.3696
23	C	H	0.0000
24	K	H	-0.6065
25	V	H	0.0000
26	S	H	-0.7351
27	G	H	-0.9739
28	F	H	-0.7025
29	T	H	-0.6323
30	L	H	0.0000
35	T	H	-1.0771
36	E	H	-1.5104
37	L	H	-0.0238
38	S	H	0.0000
39	I	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	-0.6448
45	A	H	-1.0660
46	P	H	-0.9235
47	G	H	-1.5266
48	K	H	-2.3298
49	G	H	-1.5450
50	L	H	0.0000
51	E	H	-0.9647
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	F	H	-0.6353
57	D	H	-1.4513
58	P	H	-2.0597
59	E	H	-2.9159
62	D	H	-3.4948
63	G	H	-2.6434
64	E	H	-2.7783
65	T	H	-0.8915
66	I	H	-0.3994
67	Y	H	-0.6993
68	A	H	0.0000
69	Q	H	-2.5996
70	K	H	-2.6883
71	F	H	0.0000
72	Q	H	-2.2077
74	G	H	-1.5460
75	R	H	-1.3796
76	V	H	0.0000
77	T	H	-0.6047
78	M	H	0.0000
79	T	H	-0.2582
80	E	H	-0.7206
81	D	H	-1.0248
82	T	H	-0.7329
83	S	H	-0.6036
84	T	H	-0.7248
85	D	H	-0.9464
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4118
89	M	H	0.0000
90	E	H	-1.1474
91	L	H	0.0000
92	T	H	-0.9182
93	S	H	-1.0007
94	L	H	0.0000
95	R	H	-2.4053
96	S	H	-2.0362
97	E	H	-2.3041
98	D	H	0.0000
99	T	H	-0.6163
100	A	H	0.0000
101	V	H	0.3935
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	S	H	0.0000
106	T	H	0.0000
107	I	H	0.0000
108	F	H	2.0852
109	G	H	1.3271
110	V	H	2.0767
112	V	H	1.9232
113	T	H	1.1671
114	N	H	0.0000
115	F	H	0.0000
116	D	H	-0.1606
117	N	H	-0.5134
118	W	H	-0.6249
119	G	H	0.0000
120	Q	H	-1.2982
121	G	H	-0.4989
122	T	H	0.0000
123	L	H	0.8381
124	V	H	0.0000
125	T	H	-0.0293
126	V	H	0.0000
127	S	H	-0.9644
128	S	H	-0.9675
1	D	L	-2.4571
2	I	L	0.0000
3	Q	L	-2.2426
4	M	L	0.0000
5	T	L	-1.4231
6	Q	L	0.0000
7	S	L	-0.7815
8	P	L	-0.6535
9	S	L	-0.9060
10	S	L	-0.9828
11	L	L	-0.6715
12	S	L	-0.8972
13	A	L	0.0000
14	S	L	-1.1294
15	A	L	-1.0816
16	G	L	-1.1947
17	D	L	-1.8930
18	R	L	-2.2755
19	V	L	0.0000
20	T	L	-0.5887
21	I	L	0.0000
22	T	L	-0.7495
23	C	L	0.0000
24	R	L	-2.5415
25	A	L	0.0000
26	S	L	-1.7210
27	Q	L	-1.8656
28	A	L	-1.4004
29	I	L	0.0000
36	R	L	-2.4771
37	N	L	-1.4319
38	D	L	0.0000
39	L	L	0.0000
40	G	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8135
44	Q	L	0.0000
45	K	L	-1.8273
46	P	L	-1.3268
47	G	L	-1.7337
48	K	L	-2.5378
49	A	L	-1.5602
50	P	L	0.0000
51	K	L	-1.2389
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.9338
56	A	L	0.3587
57	A	L	0.0000
65	F	L	1.7512
66	N	L	0.9456
67	L	L	0.7910
68	Q	L	0.0132
69	S	L	-0.4078
70	G	L	-0.5001
71	V	L	-0.2956
72	P	L	-0.3554
74	S	L	-0.4079
75	R	L	-0.7919
76	F	L	0.0000
77	S	L	0.1875
78	G	L	0.7029
79	S	L	0.0747
80	G	L	-0.8422
83	S	L	-1.3312
84	G	L	-1.6646
85	T	L	-1.7021
86	E	L	-1.8732
87	F	L	0.0000
88	T	L	-0.3838
89	L	L	0.0000
90	T	L	-0.5921
91	I	L	0.0000
92	S	L	-1.2372
93	S	L	-1.3295
94	L	L	0.0000
95	Q	L	-1.0950
96	P	L	-1.1214
97	E	L	-1.9046
98	D	L	0.0000
99	L	L	-0.7986
100	A	L	0.0000
101	S	L	-1.1056
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	Y	L	0.0000
108	N	L	-0.8577
109	R	L	-1.2877
114	Y	L	-0.5745
115	P	L	-0.8347
116	W	L	0.0000
117	T	L	-0.8172
118	F	L	-0.4149
119	G	L	0.0000
120	Q	L	-1.6515
121	G	L	-1.2899
122	T	L	0.0000
123	K	L	-1.7115
124	V	L	0.0000
125	E	L	-1.1073
126	I	L	-0.1269
127	K	L	-1.4321