Project name: clone131

Chain sequence(s)	H: QVQLEQSGAEIKKPGSSVTVSCTGSGGIFSSHIVSWVRQAPGQGLEWVGGIVPLFDTTNYAEKFQGRVTITVDESRATTYMELSSLESEDTAIYYCTRGRAPGDIGKTGGIFDHWGQGTLVTVSS; L: DIQMTQSPTSLSASVGDRVTITCRATQGISNYLAWFQQKPGKAPKSLIYEASSLQSGVPSRFSGSGSGSGTDFTLTISSLQPEDFAIYYCQQYNSYPWTFGQGTKVEIK
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.182
• Maximal score value: 1.8209
• Average score: -0.5229
• Total score value: -122.3513

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	-1.6406
2	V	H	0.0000
3	Q	H	-2.4458
4	L	H	0.0000
5	E	H	-2.5524
6	Q	H	0.0000
7	S	H	-0.8576
8	G	H	-0.9032
9	A	H	0.1791
11	E	H	0.2919
12	I	H	1.2418
13	K	H	-0.6972
14	K	H	-2.0600
15	P	H	-2.0109
16	G	H	-1.5640
17	S	H	-1.2915
18	S	H	-0.8175
19	V	H	0.0000
20	T	H	-0.2779
21	V	H	0.0000
22	S	H	-0.2990
23	C	H	0.0000
24	T	H	-1.4458
25	G	H	-1.1896
26	S	H	-1.0886
27	G	H	-1.1131
28	G	H	-0.2537
29	I	H	1.6177
30	F	H	0.6780
35	S	H	0.6010
36	S	H	0.8134
37	H	H	0.0000
38	I	H	0.0000
39	V	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5021
45	A	H	-0.9292
46	P	H	-0.9893
47	G	H	-1.2136
48	Q	H	-1.8086
49	G	H	-1.2289
50	L	H	0.0000
51	E	H	-0.9834
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	V	H	0.5771
58	P	H	0.3311
59	L	H	1.7039
62	F	H	1.8209
63	D	H	-0.4902
64	T	H	0.0159
65	T	H	-0.2221
66	N	H	-0.4109
67	Y	H	-0.8052
68	A	H	0.0000
69	E	H	-3.1820
70	K	H	-3.0209
71	F	H	0.0000
72	Q	H	-2.5972
74	G	H	-1.6704
75	R	H	-1.2328
76	V	H	0.0000
77	T	H	-0.4681
78	I	H	0.0000
79	T	H	-0.3653
80	V	H	-1.1172
81	D	H	-2.3466
82	E	H	-2.7052
83	S	H	-2.1909
84	R	H	-2.7988
85	A	H	-1.6689
86	T	H	0.0000
87	T	H	0.0000
88	Y	H	0.1175
89	M	H	0.0000
90	E	H	-0.4092
91	L	H	0.0000
92	S	H	-0.7923
93	S	H	-1.1850
94	L	H	0.0000
95	E	H	-2.6955
96	S	H	-2.2109
97	E	H	-2.4444
98	D	H	0.0000
99	T	H	-0.6394
100	A	H	0.0000
101	I	H	0.3797
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	-0.5249
107	G	H	0.0000
108	R	H	-0.6779
109	A	H	-0.3218
110	P	H	-0.2028
111	G	H	-0.4184
111A	D	H	-0.3654
111B	I	H	1.2033
112C	G	H	-0.0373
112B	K	H	-0.4725
112A	T	H	-0.4016
112	G	H	0.0000
113	G	H	0.0000
114	I	H	0.0000
115	F	H	0.0000
116	D	H	-0.6246
117	H	H	-1.0689
118	W	H	-1.1677
119	G	H	0.0000
120	Q	H	-2.1755
121	G	H	-1.0414
122	T	H	0.0000
123	L	H	0.6427
124	V	H	0.0000
125	T	H	-0.0043
126	V	H	0.0000
127	S	H	-0.7946
128	S	H	-0.7361
1	D	L	-2.2655
2	I	L	0.0000
3	Q	L	-2.1790
4	M	L	0.0000
5	T	L	-1.3021
6	Q	L	0.0000
7	S	L	-0.7122
8	P	L	-0.5119
9	T	L	-0.5965
10	S	L	-0.7373
11	L	L	-0.4263
12	S	L	-0.5350
13	A	L	0.0000
14	S	L	-0.0772
15	V	L	0.6405
16	G	L	-0.4610
17	D	L	-1.3952
18	R	L	-2.1111
19	V	L	0.0000
20	T	L	-0.5887
21	I	L	0.0000
22	T	L	-0.7416
23	C	L	0.0000
24	R	L	-2.3852
25	A	L	0.0000
26	T	L	-1.7812
27	Q	L	-1.9483
28	G	L	-1.1680
29	I	L	0.0000
36	S	L	-0.8049
37	N	L	-0.6047
38	Y	L	-0.2006
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.5082
46	P	L	-1.1270
47	G	L	-1.5951
48	K	L	-2.4377
49	A	L	-1.5041
50	P	L	0.0000
51	K	L	-1.1885
52	S	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1799
56	E	L	-0.2457
57	A	L	0.0000
65	S	L	-0.3142
66	S	L	0.0256
67	L	L	0.3140
68	Q	L	-0.1903
69	S	L	-0.3676
70	G	L	-0.5634
71	V	L	-0.2794
72	P	L	-0.3558
74	S	L	-0.4182
75	R	L	-0.8503
76	F	L	0.0000
77	S	L	-0.3330
78	G	L	-0.2531
79	S	L	-0.6450
80	G	L	-0.8454
81	S	L	-0.8761
82	G	L	-0.9039
83	S	L	-1.0861
84	G	L	-1.3962
85	T	L	-1.7679
86	D	L	-1.7164
87	F	L	0.0000
88	T	L	-0.6337
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.3720
93	S	L	-1.0321
94	L	L	0.0000
95	Q	L	-0.4991
96	P	L	-0.6363
97	E	L	-1.6370
98	D	L	0.0000
99	F	L	-0.2898
100	A	L	0.0000
101	I	L	-0.3965
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	-0.4246
109	S	L	-0.1568
114	Y	L	0.1873
115	P	L	0.0000
116	W	L	0.0000
117	T	L	-0.7240
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.3465
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3480
124	V	L	0.0000
125	E	L	-0.4129
126	I	L	0.9480
127	K	L	-0.7816