Project name: 28a947b5236e4d2

Chain sequence(s)	A: QVQLVQSGSELKKPGASSVKVSCKASGYTFTQNNMDWVRQAPGQGLEWMGDINTRSGGVVIIYYNEEFQDRLIMMTVDKSSTDTAYMMELSSLRSSEDTATYHCARRKSYGYYLDVWGEGTLVTVSSASTTKGPSVFPLAPCSRTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYTCNVDHKPSNNTKVDKRVES
Selected Chain(s)	A
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 A 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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:35)

• Minimal score value: -3.3338
• Maximal score value: 2.4541
• Average score: -0.5641
• Total score value: -122.9683

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	A	-1.4332
2	V	A	-0.5928
3	Q	A	-1.0237
4	L	A	0.0000
5	V	A	0.6790
6	Q	A	-0.1839
7	S	A	-0.6861
8	G	A	-0.8066
9	S	A	0.0000
10	E	A	-1.5321
11	L	A	-0.9924
12	K	A	-1.6599
13	K	A	-2.4348
14	P	A	-2.1876
15	G	A	-1.5561
16	A	A	-1.2231
17	S	A	-1.3288
18	V	A	0.0000
19	K	A	-1.8815
20	V	A	0.0000
21	S	A	-0.5338
22	C	A	0.0000
23	K	A	-1.0869
24	A	A	0.0000
25	S	A	-0.8620
26	G	A	-0.9278
27	Y	A	-0.5128
28	T	A	-0.4024
29	F	A	0.0000
30	T	A	-1.5372
31	Q	A	-1.1337
32	N	A	0.0000
33	N	A	-0.7735
34	M	A	0.0000
35	D	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	-0.3370
39	Q	A	-0.7353
40	A	A	-1.1212
41	P	A	-1.0501
42	G	A	-1.1970
43	Q	A	-1.6226
44	G	A	-0.7039
45	L	A	0.5773
46	E	A	-0.1261
47	W	A	0.3119
48	M	A	0.0000
49	G	A	0.0000
50	D	A	0.0000
51	I	A	0.0000
52	N	A	-1.0395
53	T	A	0.0000
54	R	A	-2.6710
55	S	A	-1.5369
56	G	A	-1.3395
57	G	A	-0.3582
58	V	A	0.9992
59	I	A	1.5793
60	Y	A	0.0133
61	N	A	-1.2896
62	E	A	-3.1061
63	E	A	-3.3338
64	F	A	0.0000
65	Q	A	-2.4356
66	D	A	-2.7163
67	R	A	0.0000
68	L	A	0.0000
69	I	A	0.6363
70	M	A	0.0000
71	T	A	-0.0715
72	V	A	-1.2926
73	D	A	-2.0634
74	K	A	-2.7462
75	S	A	-1.4791
76	T	A	-1.4814
77	D	A	-1.9936
78	T	A	-1.2991
79	A	A	0.0000
80	Y	A	-0.3880
81	M	A	0.0000
82	E	A	-0.8876
83	L	A	0.0000
84	S	A	-0.9486
85	S	A	-1.2439
86	L	A	0.0000
87	R	A	-2.6683
88	S	A	-2.2192
89	E	A	-2.4122
90	D	A	0.0000
91	T	A	-1.0476
92	A	A	0.0000
93	T	A	-0.3199
94	Y	A	0.0000
95	H	A	-0.2896
96	C	A	0.0000
97	A	A	0.0000
98	R	A	-0.2120
99	R	A	0.0117
100	K	A	0.0057
101	S	A	0.2198
102	Y	A	1.3299
103	G	A	1.1710
104	Y	A	1.8595
105	Y	A	1.7489
106	L	A	0.6220
107	D	A	-0.3005
108	V	A	-0.1024
109	W	A	0.0308
110	G	A	0.0000
111	E	A	-1.5254
112	G	A	-0.8319
113	T	A	0.0000
114	L	A	-0.4121
115	V	A	0.0000
116	T	A	-0.9575
117	V	A	0.0000
118	S	A	-1.3913
119	S	A	-0.9534
120	A	A	-0.6064
121	S	A	-0.6937
122	T	A	-0.8916
123	K	A	-1.3638
124	G	A	-1.5912
125	P	A	0.0000
126	S	A	-0.3501
127	V	A	0.0000
128	F	A	0.7033
129	P	A	0.2087
130	L	A	0.9206
131	A	A	0.2782
132	P	A	-0.2188
133	C	A	0.1794
134	S	A	-0.7872
135	R	A	-2.0427
137	T	A	-1.2256
138	S	A	-1.4807
139	E	A	-2.3413
140	S	A	-1.3223
141	T	A	-0.9287
142	A	A	-0.7494
143	A	A	0.1133
144	L	A	0.0000
145	G	A	0.0000
146	C	A	0.0000
147	L	A	0.6248
148	V	A	0.0000
149	K	A	-0.3306
150	D	A	-0.5427
151	Y	A	0.0000
152	F	A	-0.2553
153	P	A	0.0000
154	E	A	-0.4058
155	P	A	-0.6696
156	V	A	-0.5696
157	T	A	-0.4998
158	V	A	-0.1372
159	S	A	-0.5377
160	W	A	0.0000
161	N	A	-1.0458
162	S	A	-0.7476
163	G	A	-0.5307
164	A	A	-0.2333
165	L	A	-0.0694
166	T	A	-0.2787
167	S	A	-0.3285
168	G	A	-0.4074
169	V	A	0.0006
170	H	A	-0.5156
171	T	A	0.2000
172	F	A	1.0717
173	P	A	0.7766
174	A	A	1.3270
175	V	A	2.4541
176	L	A	2.0969
177	Q	A	0.6010
178	S	A	0.0057
179	S	A	-0.2949
180	G	A	-0.0564
181	L	A	0.2329
182	Y	A	0.8025
183	S	A	0.7182
184	L	A	0.0000
185	S	A	0.6551
186	S	A	0.0000
187	V	A	0.3785
188	V	A	0.0000
189	T	A	-0.2289
190	V	A	0.0000
191	P	A	-0.6661
192	S	A	-0.7832
193	S	A	-0.6782
194	S	A	-0.4501
195	L	A	-0.4151
196	G	A	-0.7419
197	T	A	-0.6668
198	Q	A	-0.9479
199	T	A	-1.0318
200	Y	A	0.0000
201	T	A	-1.7769
202	C	A	0.0000
203	N	A	-1.6901
204	V	A	0.0000
205	D	A	-1.8148
206	H	A	0.0000
207	K	A	-2.8305
208	P	A	-1.8004
209	S	A	-1.9147
210	N	A	-2.6676
211	T	A	-2.0922
212	K	A	-2.6584
213	V	A	-1.6084
214	D	A	-2.8250
215	K	A	-2.2247
216	R	A	-2.6126
217	V	A	-1.1319
218	E	A	-1.2095
219	S	A	-1.0445