Project name: 95d86423484090d

Chain sequence(s)	H: VKLLEQSGAEVKKPGASVKVSCKASGYSFTSYGLHWVRQAPGQRLEWMGWISAGTGNTKYSQKFRGRVTFTRDTSATTAYMGLSSLRPEDTAVYYCARDPYGGGKSEFDYWGQGTLVTVSS; L: ELVMTQSPSSLSASVGDRVNIACRASQGISSALAWYQQKPGKAPRLLIYDASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFAIYYCQQFNSYPLTFGGGTKVEIK
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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.078
• Maximal score value: 1.6677
• Average score: -0.5224
• Total score value: -119.107

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	V	H	1.6677
2	K	H	0.7864
3	L	H	1.1184
4	L	H	0.0000
5	E	H	-0.8507
6	Q	H	0.0000
7	S	H	-0.8412
8	G	H	-0.6295
9	A	H	0.3303
11	E	H	0.0889
12	V	H	1.0163
13	K	H	-0.8239
14	K	H	-1.9795
15	P	H	-1.8467
16	G	H	-1.2843
17	A	H	-1.0872
18	S	H	-1.1542
19	V	H	0.0000
20	K	H	-1.8158
21	V	H	0.0000
22	S	H	-0.7855
23	C	H	0.0000
24	K	H	-0.8977
25	A	H	0.0000
26	S	H	0.0686
27	G	H	0.2802
28	Y	H	0.2301
29	S	H	-0.3181
30	F	H	0.0000
35	T	H	-0.3844
36	S	H	-0.0373
37	Y	H	0.2973
38	G	H	0.0000
39	L	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	-0.6442
45	A	H	-1.0240
46	P	H	-1.1396
47	G	H	-1.3813
48	Q	H	-2.0950
49	R	H	-1.8716
50	L	H	0.0000
51	E	H	-0.9475
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	0.0000
56	I	H	0.0000
57	S	H	-0.8152
58	A	H	0.0000
59	G	H	-0.5819
62	T	H	-0.7277
63	G	H	-1.1236
64	N	H	-1.5780
65	T	H	-0.9480
66	K	H	-1.1091
67	Y	H	-0.9718
68	S	H	0.0000
69	Q	H	-2.8802
70	K	H	-2.8662
71	F	H	0.0000
72	R	H	-3.0780
74	G	H	-1.8927
75	R	H	-1.4145
76	V	H	0.0000
77	T	H	-0.7222
78	F	H	0.0000
79	T	H	-0.5265
80	R	H	-0.9020
81	D	H	-1.0483
82	T	H	-0.6679
83	S	H	-0.4933
84	A	H	-0.5202
85	T	H	-0.6057
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5510
89	M	H	0.0000
90	G	H	-0.8890
91	L	H	0.0000
92	S	H	-0.8632
93	S	H	-0.9282
94	L	H	0.0000
95	R	H	-1.9359
96	P	H	-1.8316
97	E	H	-2.1775
98	D	H	0.0000
99	T	H	-0.4811
100	A	H	0.0000
101	V	H	0.7132
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	D	H	0.0000
108	P	H	0.4672
109	Y	H	0.9203
110	G	H	0.0822
111	G	H	-0.3864
112A	G	H	0.0000
112	K	H	-1.1716
113	S	H	0.0000
114	E	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.3293
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.4760
121	G	H	-0.7558
122	T	H	0.0000
123	L	H	1.1430
124	V	H	0.0000
125	T	H	0.0845
126	V	H	0.0000
127	S	H	-0.7409
128	S	H	-0.8566
1	E	L	-1.7017
2	L	L	0.0000
3	V	L	0.2306
4	M	L	0.0000
5	T	L	-0.6873
6	Q	L	0.0000
7	S	L	-0.8199
8	P	L	-0.6379
9	S	L	-0.5565
10	S	L	-0.6469
11	L	L	-0.7034
12	S	L	-0.8650
13	A	L	-0.8528
14	S	L	-0.5143
15	V	L	0.4350
16	G	L	-0.5563
17	D	L	-1.6114
18	R	L	-2.4620
19	V	L	0.0000
20	N	L	-1.8312
21	I	L	0.0000
22	A	L	-1.0737
23	C	L	0.0000
24	R	L	-2.4235
25	A	L	0.0000
26	S	L	-1.2059
27	Q	L	-1.9741
28	G	L	-1.6739
29	I	L	0.0000
36	S	L	-0.9808
37	S	L	-0.8127
38	A	L	-0.7699
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.4165
44	Q	L	0.0000
45	K	L	-1.3008
46	P	L	-1.0429
47	G	L	-1.6159
48	K	L	-2.5179
49	A	L	-1.4346
50	P	L	0.0000
51	R	L	-0.8040
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1738
56	D	L	-0.9061
57	A	L	0.0000
65	S	L	-0.7284
66	N	L	-0.6793
67	L	L	0.0264
68	E	L	0.0000
69	S	L	-0.3771
70	G	L	-0.5303
71	V	L	0.0000
72	P	L	-0.3799
74	S	L	-0.3799
75	R	L	-0.7546
76	F	L	0.0000
77	S	L	-0.5366
78	G	L	-0.5929
79	S	L	-0.8132
80	G	L	-1.1318
83	S	L	-1.2019
84	G	L	-1.3588
85	T	L	-1.8500
86	D	L	-2.1804
87	F	L	0.0000
88	T	L	-1.0133
89	L	L	0.0000
90	T	L	-1.0993
91	I	L	0.0000
92	S	L	-1.4672
93	S	L	-1.0622
94	L	L	0.0000
95	Q	L	-0.7049
96	P	L	-0.9272
97	E	L	-1.6046
98	D	L	0.0000
99	F	L	-0.0422
100	A	L	0.0000
101	I	L	-0.0064
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	F	L	0.0000
108	N	L	-0.9816
109	S	L	-0.7613
114	Y	L	-0.3748
115	P	L	-0.8663
116	L	L	0.0000
117	T	L	-0.2139
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8093
121	G	L	-0.7563
122	T	L	0.0000
123	K	L	-0.6670
124	V	L	0.0000
125	E	L	-0.8475
126	I	L	-0.4411
127	K	L	-1.3508