Project name: 15mer

Chain sequence(s)	I: MENVLTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSSTSPKLWIYDTSKLASGVPGRFSGSGSGNSYSLTISSMEAEDVATYYCFQGSGYPLTFGAGTKLELKGGGGSGGGGSGGGGSEVQLQQSGAELVRAGSSVKMSCKASGYTFTSYGINWVKQRPGQGLEWIGYINPGNGYTKYNEKFKGKTTLTVDKSSSTAYMQLRSLTSEDSAVYFCARKKSYAMDYWGQGTSVTVS
Selected Chain(s)	I
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 I 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                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)

• Minimal score value: -3.2865
• Maximal score value: 1.2889
• Average score: -0.5983
• Total score value: -142.3879

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	M	I	0.3947
2	E	I	-0.8468
3	N	I	0.0913
4	V	I	1.2638
5	L	I	0.0000
6	T	I	0.2489
7	Q	I	0.0000
8	S	I	0.0190
9	P	I	0.3169
10	A	I	0.6612
11	I	I	1.2889
12	M	I	0.4197
13	S	I	-0.5957
14	A	I	0.0000
15	S	I	-1.9596
16	P	I	-1.8680
17	G	I	-1.9070
18	E	I	-2.5383
19	K	I	-2.5490
20	V	I	-1.0122
21	T	I	-0.3749
22	M	I	0.0000
23	T	I	-0.2420
24	C	I	0.0000
25	S	I	-0.3420
26	A	I	0.0000
27	S	I	-0.1208
28	S	I	-0.4242
29	S	I	-0.6337
30	V	I	-0.2163
31	S	I	-0.1662
32	Y	I	0.5840
33	M	I	0.0000
34	H	I	0.0000
35	W	I	0.0000
36	Y	I	0.0000
37	Q	I	0.0000
38	Q	I	0.0000
39	K	I	-1.2744
40	S	I	-0.6980
41	S	I	-0.6724
42	T	I	-0.8126
43	S	I	-0.5988
44	P	I	0.0000
45	K	I	-0.4974
46	L	I	0.0000
47	W	I	0.0000
48	I	I	0.0000
49	Y	I	0.0753
50	D	I	-0.4315
51	T	I	-0.5611
52	S	I	-0.9664
53	K	I	-1.4054
54	L	I	-0.4107
55	A	I	0.0000
56	S	I	-0.5680
57	G	I	-0.9410
58	V	I	0.0000
59	P	I	-0.7105
60	G	I	-0.6314
61	R	I	-0.7853
62	F	I	0.0000
63	S	I	-0.5777
64	G	I	0.0000
65	S	I	-0.7767
66	G	I	-0.7458
67	S	I	-0.6899
68	G	I	-0.7337
69	N	I	-1.2623
70	S	I	-0.9227
71	Y	I	0.0000
72	S	I	-0.3440
73	L	I	0.0000
74	T	I	-0.4905
75	I	I	0.0000
76	S	I	-1.5006
77	S	I	-1.4798
78	M	I	0.0000
79	E	I	-1.9687
80	A	I	-1.8647
81	E	I	-2.2809
82	D	I	0.0000
83	V	I	-0.9850
84	A	I	0.0000
85	T	I	-0.4207
86	Y	I	0.0000
87	Y	I	0.0000
88	C	I	0.0000
89	F	I	0.0000
90	Q	I	0.0000
91	G	I	0.0000
92	S	I	0.3772
93	G	I	0.0855
94	Y	I	0.4129
95	P	I	-0.3908
96	L	I	0.0000
97	T	I	0.0665
98	F	I	0.0000
99	G	I	0.0000
100	A	I	-0.0989
101	G	I	0.0000
102	T	I	0.0000
103	K	I	-0.3475
104	L	I	0.0000
105	E	I	-1.6644
106	L	I	0.0000
107	K	I	-2.3190
108	G	I	-1.9614
109	G	I	0.0000
110	G	I	-1.5298
111	G	I	-1.1336
112	S	I	-1.1738
113	G	I	-1.6173
114	G	I	-1.3593
115	G	I	-1.3869
116	G	I	-1.3215
117	S	I	-1.1385
118	G	I	-1.3664
119	G	I	-1.4878
120	G	I	-1.3666
121	G	I	-1.2139
122	S	I	-1.5062
123	E	I	-2.0651
124	V	I	-0.9657
125	Q	I	-1.4019
126	L	I	0.0000
127	Q	I	-1.7521
128	Q	I	-1.2605
129	S	I	-1.2238
130	G	I	-0.8356
131	A	I	-0.2799
132	E	I	-0.4391
133	L	I	0.6971
134	V	I	-0.3376
135	R	I	-1.7014
136	A	I	-1.4044
137	G	I	-1.3184
138	S	I	-1.2201
139	S	I	-1.6188
140	V	I	0.0000
141	K	I	-2.1154
142	M	I	0.0000
143	S	I	-0.9257
144	C	I	0.0000
145	K	I	-1.7310
146	A	I	0.0000
147	S	I	-1.1175
148	G	I	-0.9958
149	Y	I	-0.3740
150	T	I	-0.1001
151	F	I	0.0000
152	T	I	-1.0169
153	S	I	-0.7856
154	Y	I	-0.7747
155	G	I	0.0000
156	I	I	0.0000
157	N	I	0.0000
158	W	I	0.0000
159	V	I	0.0000
160	K	I	0.0000
161	Q	I	-0.6166
162	R	I	-1.1784
163	P	I	-0.8464
164	G	I	-1.2145
165	Q	I	-1.1364
166	G	I	-0.8477
167	L	I	0.0000
168	E	I	-0.6784
169	W	I	0.0000
170	I	I	0.0000
171	G	I	0.0000
172	Y	I	0.0334
173	I	I	0.0000
174	N	I	-0.8865
175	P	I	0.0000
176	G	I	-1.3166
177	N	I	-1.4621
178	G	I	-0.9933
179	Y	I	-0.0742
180	T	I	-0.1517
181	K	I	-0.5624
182	Y	I	-1.2236
183	N	I	0.0000
184	E	I	-3.2865
185	K	I	-3.1742
186	F	I	0.0000
187	K	I	-3.2242
188	G	I	-2.1813
189	K	I	-2.1662
190	T	I	0.0000
191	T	I	-1.0404
192	L	I	0.0000
193	T	I	0.0063
194	V	I	-0.7713
195	D	I	-1.5638
196	K	I	-2.1745
197	S	I	-1.2479
198	S	I	-1.1294
199	S	I	-1.2558
200	T	I	0.0000
201	A	I	0.0000
202	Y	I	-0.4804
203	M	I	0.0000
204	Q	I	-1.5205
205	L	I	0.0000
206	R	I	-2.1674
207	S	I	-1.4153
208	L	I	0.0000
209	T	I	-1.3754
210	S	I	-1.4503
211	E	I	-2.0507
212	D	I	0.0000
213	S	I	-0.6829
214	A	I	0.0000
215	V	I	0.0779
216	Y	I	0.0000
217	F	I	0.0000
218	C	I	0.0000
219	A	I	0.0000
220	R	I	0.0000
221	K	I	0.0000
222	K	I	-1.6112
223	S	I	-0.4825
224	Y	I	0.5629
225	A	I	0.0000
226	M	I	0.0000
227	D	I	-0.2549
228	Y	I	0.1536
229	W	I	-0.2431
230	G	I	0.0000
231	Q	I	-1.3556
232	G	I	-0.7468
233	T	I	0.0000
234	S	I	-0.1879
235	V	I	0.0000
236	T	I	-0.2539
237	V	I	0.0000
238	S	I	-0.5918