Project name: Z001

Chain sequence(s)	A: AAQLTQSPSSLSASVGDRVTITCRASQDISSALVWEQQKPGKAPKLLIYDASSLESGVPSRFSGSESGTDFTLTISSLQPEDFATYYCQQFNSYPLTFGGGTKVEIKGGGGSGGGGSGGGGSQVILISPGGGVCQPGRSLRLSCTCSGFTFSTYGMHWVRQAPGKGLEWVAVIWDDGSYKYKGDSVKGRFTISRSNSKNTLYLQTNSLRASDTAYYYCARDGITMVRGVMKDYFDYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	5 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 A 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                                          (00:03:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:45)

• Minimal score value: -2.0228
• Maximal score value: 2.6174
• Average score: -0.2291
• Total score value: -56.5907

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	A	A	0.0585
2	A	A	0.0000
3	Q	A	-1.1703
4	L	A	-0.0839
5	T	A	-0.2514
6	Q	A	-0.1716
7	S	A	-0.2497
8	P	A	-0.1914
9	S	A	-0.2685
10	S	A	-0.3451
11	L	A	0.1877
12	S	A	-0.3204
13	A	A	-0.0436
14	S	A	0.0164
15	V	A	1.2968
16	G	A	-0.3197
17	D	A	-1.3073
18	R	A	-2.0228
19	V	A	0.0000
20	T	A	-0.0694
21	I	A	0.0000
22	T	A	-0.0233
23	C	A	0.0000
24	R	A	-1.9005
25	A	A	0.0000
26	S	A	-0.3914
27	Q	A	-1.3196
28	D	A	-1.9534
29	I	A	0.0000
30	S	A	-0.0422
31	S	A	-0.0795
32	A	A	0.0000
33	L	A	0.0000
34	V	A	0.0000
35	W	A	0.0000
36	E	A	0.0000
37	Q	A	0.0000
38	Q	A	0.0000
39	K	A	-0.5204
40	P	A	-0.4318
41	G	A	-0.8322
42	K	A	-1.7855
43	A	A	-0.3080
44	P	A	0.0000
45	K	A	-1.5559
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.2023
50	D	A	-0.2741
51	A	A	0.0000
52	S	A	-0.2329
53	S	A	-0.0093
54	L	A	0.4342
55	E	A	-0.3862
56	S	A	-0.3795
57	G	A	-0.4709
58	V	A	0.0775
59	P	A	-0.1210
60	S	A	-0.2945
61	R	A	-0.3709
62	F	A	0.0000
63	S	A	-0.1563
64	G	A	-0.1478
65	S	A	-0.4579
66	E	A	-1.3303
67	S	A	-0.5296
68	G	A	-0.5082
69	T	A	-0.1813
70	D	A	-0.6337
71	F	A	0.0000
72	T	A	-0.0195
73	L	A	0.0000
74	T	A	-0.0230
75	I	A	0.0000
76	S	A	-0.3256
77	S	A	-0.1820
78	L	A	0.0000
79	Q	A	-0.5949
80	P	A	-0.6330
81	E	A	-1.5557
82	D	A	0.0000
83	F	A	0.6299
84	A	A	0.0000
85	T	A	-0.1621
86	Y	A	0.0000
87	Y	A	0.0000
88	C	A	0.0000
89	Q	A	0.0000
90	Q	A	0.0000
91	F	A	0.0000
92	N	A	-0.3113
93	S	A	-0.1852
94	Y	A	0.1690
95	P	A	0.0238
96	L	A	0.0000
97	T	A	0.0294
98	F	A	0.2039
99	G	A	0.0000
100	G	A	-0.4663
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.1154
104	V	A	0.0000
105	E	A	-1.1912
106	I	A	-0.1221
107	K	A	-1.7169
108	G	A	-0.8646
109	G	A	-0.6374
110	G	A	-0.6356
111	G	A	-0.5893
112	S	A	-0.3827
113	G	A	-0.5945
114	G	A	-0.6459
115	G	A	-0.6476
116	G	A	-0.5971
117	S	A	-0.3840
118	G	A	-0.5995
119	G	A	-0.6532
120	G	A	-0.6436
121	G	A	-0.5914
122	S	A	-0.5215
123	Q	A	-0.9083
124	V	A	1.9106
125	I	A	2.6174
126	L	A	2.2927
127	I	A	2.2594
128	S	A	0.1091
129	P	A	-0.3778
130	G	A	-0.5931
131	G	A	-0.6340
132	G	A	-0.2333
133	V	A	1.7134
134	C	A	0.2426
135	Q	A	-1.1806
136	P	A	-0.3423
137	G	A	-0.8260
138	R	A	-1.9702
139	S	A	-0.7546
140	L	A	-0.2269
141	R	A	-1.8628
142	L	A	0.0000
143	S	A	-0.1967
144	C	A	0.0000
145	T	A	-0.0709
146	C	A	0.0000
147	S	A	-0.2945
148	G	A	-0.4283
149	F	A	0.2998
150	T	A	0.0020
151	F	A	0.0000
152	S	A	-0.1231
153	T	A	-0.0235
154	Y	A	0.3600
155	G	A	0.0000
156	M	A	0.0000
157	H	A	0.0000
158	W	A	0.0000
159	V	A	0.0000
160	R	A	0.0000
161	Q	A	-0.0613
162	A	A	-0.0460
163	P	A	-0.2934
164	G	A	-0.8303
165	K	A	-1.8320
166	G	A	-0.5449
167	L	A	0.0000
168	E	A	-0.6658
169	W	A	0.0000
170	V	A	0.0000
171	A	A	0.0000
172	V	A	0.0000
173	I	A	0.0000
174	W	A	0.6384
175	D	A	-0.8188
176	D	A	-1.9298
177	G	A	-0.5021
178	S	A	-0.1436
179	Y	A	0.2386
180	K	A	-0.9552
181	Y	A	0.2063
182	K	A	-0.2818
183	G	A	0.0000
184	D	A	-1.8098
185	S	A	-0.4428
186	V	A	0.0000
187	K	A	-1.7863
188	G	A	-0.8745
189	R	A	-0.5906
190	F	A	0.0000
191	T	A	-0.0800
192	I	A	0.0000
193	S	A	-0.0742
194	R	A	-0.2415
195	S	A	-0.2019
196	N	A	-0.8213
197	S	A	-0.6565
198	K	A	-1.8514
199	N	A	-0.9916
200	T	A	0.0000
201	L	A	0.0000
202	Y	A	0.1057
203	L	A	0.0000
204	Q	A	-0.6179
205	T	A	0.0000
206	N	A	-1.3341
207	S	A	-0.4274
208	L	A	0.0000
209	R	A	-1.2612
210	A	A	-0.2447
211	S	A	-0.2070
212	D	A	0.0000
213	T	A	-0.0189
214	A	A	0.0000
215	Y	A	0.6615
216	Y	A	0.0000
217	Y	A	0.0000
218	C	A	0.0000
219	A	A	0.0000
220	R	A	-0.2655
221	D	A	0.0000
222	G	A	0.0000
223	I	A	1.6002
224	T	A	0.4789
225	M	A	1.1047
226	V	A	0.0000
227	R	A	-1.9295
228	G	A	-0.5237
229	V	A	1.6301
230	M	A	1.3913
231	K	A	-0.1093
232	D	A	-0.0638
233	Y	A	0.0968
234	F	A	0.0000
235	D	A	-0.2127
236	Y	A	0.6892
237	W	A	0.0000
238	G	A	0.0000
239	Q	A	-1.2427
240	G	A	-0.4657
241	T	A	0.1206
242	L	A	1.0743
243	V	A	0.0000
244	T	A	-0.0435
245	V	A	0.0000
246	S	A	-0.1527
247	S	A	-0.2338