Project name: ZT2

Chain sequence(s)	A: ASQLTQSPSSLSASVGDRVTITCRASQDISSALVWYQQKPGKAPKLLIYDASSLESGVSSRFSGSESGTDFTLTISSLQPEDFATYYCQQFNSYPLTFGGGTKVEIKGGGGSGGGGSGGGGSQVQLQESGGTVCQPGRSLRLSCDASGFTFSTYGMHWVRQAPGKGLEWVAVIWDDGSYKYSGDSVKGRFTISRDNSTNTLYLQMNSLRASDTAVYYCARDGITMVRGVMKDYFDYWGQGTLVTVSS
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -2.9076
• Maximal score value: 1.8396
• Average score: -0.6746
• Total score value: -166.6272

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	-0.4609
2	S	A	-1.4360
3	Q	A	-1.7398
4	L	A	-1.3877
5	T	A	-1.2363
6	Q	A	-1.0430
7	S	A	-0.7214
8	P	A	-0.5667
9	S	A	-0.7372
10	S	A	-0.9108
11	L	A	-0.7620
12	S	A	-1.2460
13	A	A	0.0000
14	S	A	-0.9452
15	V	A	0.1993
16	G	A	-0.6658
17	D	A	-1.5760
18	R	A	-2.2486
19	V	A	0.0000
20	T	A	-0.6276
21	I	A	0.0000
22	T	A	-0.8982
23	C	A	0.0000
24	R	A	-2.9076
25	A	A	0.0000
26	S	A	-2.0222
27	Q	A	-2.6676
28	D	A	-2.8213
29	I	A	0.0000
30	S	A	-1.4857
31	S	A	-1.0264
32	A	A	0.0000
33	L	A	0.0000
34	V	A	0.0000
35	W	A	0.0000
36	Y	A	0.0000
37	Q	A	0.0000
38	Q	A	0.0000
39	K	A	-1.7774
40	P	A	-1.1984
41	G	A	-1.7387
42	K	A	-2.7137
43	A	A	-1.7243
44	P	A	0.0000
45	K	A	-1.7280
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	-0.0418
50	D	A	-0.3657
51	A	A	0.0000
52	S	A	-0.6062
53	S	A	-0.1487
54	L	A	0.0874
55	E	A	-0.5180
56	S	A	-0.4895
57	G	A	-0.5601
58	V	A	-0.4107
59	S	A	-0.3474
60	S	A	-0.4228
61	R	A	-0.7173
62	F	A	0.0000
63	S	A	-0.2752
64	G	A	0.0000
65	S	A	-1.1640
66	E	A	-2.1343
67	S	A	-1.5283
68	G	A	-1.8255
69	T	A	-2.2206
70	D	A	-2.1259
71	F	A	0.0000
72	T	A	-0.9408
73	L	A	0.0000
74	T	A	-0.5805
75	I	A	0.0000
76	S	A	-1.3273
77	S	A	-1.0695
78	L	A	0.0000
79	Q	A	-0.6215
80	P	A	-1.3139
81	E	A	-1.6347
82	D	A	0.0000
83	F	A	-0.5093
84	A	A	0.0000
85	T	A	-0.7335
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	-0.3804
93	S	A	-0.3110
94	Y	A	0.1389
95	P	A	-0.2478
96	L	A	0.0000
97	T	A	-0.3890
98	F	A	-0.3111
99	G	A	0.0000
100	G	A	-1.1346
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.3144
104	V	A	0.0000
105	E	A	-1.7291
106	I	A	-1.3300
107	K	A	-2.0424
108	G	A	-1.5712
109	G	A	-1.3790
110	G	A	-1.3411
111	G	A	-1.3997
112	S	A	-1.2120
113	G	A	-1.5361
114	G	A	-1.3496
115	G	A	-1.1895
116	G	A	-1.1774
117	S	A	-1.0258
118	G	A	-1.1647
119	G	A	-1.3277
120	G	A	-1.3237
121	G	A	-1.4214
122	S	A	-1.4357
123	Q	A	-1.9504
124	V	A	-1.2624
125	Q	A	-2.1912
126	L	A	0.0000
127	Q	A	-2.2865
128	E	A	0.0000
129	S	A	-0.8854
130	G	A	-0.4545
131	G	A	0.3071
132	T	A	0.8455
133	V	A	1.7567
134	C	A	-0.1783
135	Q	A	-1.3386
136	P	A	-1.8233
137	G	A	-2.1688
138	R	A	-2.7238
139	S	A	-2.1798
140	L	A	-1.4423
141	R	A	-2.2343
142	L	A	0.0000
143	S	A	-1.1792
144	C	A	0.0000
145	D	A	-2.2493
146	A	A	0.0000
147	S	A	-1.5213
148	G	A	-1.1366
149	F	A	-0.3754
150	T	A	-0.2089
151	F	A	0.0000
152	S	A	-1.1290
153	T	A	-0.5610
154	Y	A	-0.0747
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	-0.6498
162	A	A	-0.7851
163	P	A	-0.8510
164	G	A	-1.4548
165	K	A	-2.2909
166	G	A	-1.4433
167	L	A	0.0000
168	E	A	-1.0621
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	-0.4381
175	D	A	-1.5339
176	D	A	-2.1821
177	G	A	-1.4564
178	S	A	-0.8541
179	Y	A	-0.3475
180	K	A	-0.6005
181	Y	A	-0.2896
182	S	A	-1.1367
183	G	A	0.0000
184	D	A	-2.5311
185	S	A	-1.7083
186	V	A	0.0000
187	K	A	-2.6651
188	G	A	-1.8185
189	R	A	-1.8152
190	F	A	0.0000
191	T	A	-1.0942
192	I	A	0.0000
193	S	A	-0.4956
194	R	A	-1.1242
195	D	A	-1.5605
196	N	A	-1.9207
197	S	A	-1.0433
198	T	A	-1.1771
199	N	A	-1.6208
200	T	A	0.0000
201	L	A	0.0000
202	Y	A	-0.8020
203	L	A	0.0000
204	Q	A	-1.6229
205	M	A	0.0000
206	N	A	-1.9332
207	S	A	-1.8511
208	L	A	0.0000
209	R	A	-2.4805
210	A	A	-1.1433
211	S	A	-0.8310
212	D	A	0.0000
213	T	A	0.1037
214	A	A	0.0000
215	V	A	0.7676
216	Y	A	0.0000
217	Y	A	0.0000
218	C	A	0.0000
219	A	A	0.0000
220	R	A	0.0000
221	D	A	0.0000
222	G	A	0.0000
223	I	A	1.2812
224	T	A	1.1048
225	M	A	1.3796
226	V	A	0.0000
227	R	A	-1.2135
228	G	A	-0.0768
229	V	A	1.4934
230	M	A	1.8396
231	K	A	0.7657
232	D	A	0.3473
233	Y	A	0.1196
234	F	A	0.0000
235	D	A	-0.1703
236	Y	A	-0.1084
237	W	A	-0.7678
238	G	A	0.0000
239	Q	A	-1.9871
240	G	A	0.0000
241	T	A	0.2560
242	L	A	1.7199
243	V	A	0.0000
244	T	A	0.7033
245	V	A	0.0000
246	S	A	-0.3644
247	S	A	-0.2881