Project name: CMET

Chain sequence(s)	A: QVQLVESGGGVCQPGRSLRLSCAASGFTFSTYGMHWVRQAPGKGLEWVAVIWDDGSYKYYGDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDGITMVRGVMKDYFDYWGQGTLVTVSSGGGGSGGGGSGGGGSAIQLTQSPSSLSASVGDRVTITCRASQDISSALVWYQQKPGKAPKLLIYDASSLESGVPSRFSGSESGTDFTLTISSLQPEDFATYYCQQFNSYPLTFGGGTKVEIK
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -2.852
• Maximal score value: 1.7448
• Average score: -0.6408
• Total score value: -158.2843

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	-1.5285
2	V	A	-0.9852
3	Q	A	-1.1135
4	L	A	0.0000
5	V	A	0.9621
6	E	A	0.0000
7	S	A	-0.1285
8	G	A	-0.7081
9	G	A	0.1088
10	G	A	0.9165
11	V	A	1.5448
12	C	A	-0.3970
13	Q	A	-1.7528
14	P	A	-1.9349
15	G	A	-2.0785
16	R	A	-2.7508
17	S	A	-2.0803
18	L	A	-1.4369
19	R	A	-2.1519
20	L	A	0.0000
21	S	A	-0.4203
22	C	A	0.0000
23	A	A	-0.1457
24	A	A	0.0000
25	S	A	-0.9401
26	G	A	-1.0476
27	F	A	-0.3797
28	T	A	-0.2085
29	F	A	0.0000
30	S	A	-1.0734
31	T	A	-0.5381
32	Y	A	-0.0582
33	G	A	0.0000
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.6553
40	A	A	-1.0543
41	P	A	-1.0165
42	G	A	-1.4608
43	K	A	-2.2832
44	G	A	-1.4240
45	L	A	0.0000
46	E	A	-0.9858
47	W	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	W	A	-0.4706
53	D	A	-1.4556
54	D	A	-2.1612
55	G	A	-1.2790
56	S	A	-0.5509
57	Y	A	0.3123
58	K	A	-0.0824
59	Y	A	0.0673
60	Y	A	-0.7980
61	G	A	0.0000
62	D	A	-2.7470
63	S	A	-2.0784
64	V	A	0.0000
65	K	A	-2.5452
66	G	A	-1.7381
67	R	A	-1.5608
68	F	A	0.0000
69	T	A	-0.8708
70	I	A	0.0000
71	S	A	-0.4309
72	R	A	-1.3503
73	D	A	-1.9492
74	N	A	-2.2722
75	S	A	-1.7241
76	K	A	-2.4818
77	N	A	-1.8545
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	-0.6058
81	L	A	0.0000
82	Q	A	-1.2302
83	M	A	0.0000
84	N	A	-1.7781
85	S	A	-1.6735
86	L	A	0.0000
87	R	A	-2.4203
88	A	A	-1.7751
89	E	A	-2.3537
90	D	A	0.0000
91	T	A	-0.3196
92	A	A	0.0000
93	V	A	0.7235
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	D	A	0.0000
100	G	A	0.0000
101	I	A	1.3645
102	T	A	1.1100
103	M	A	1.2959
104	V	A	0.0000
105	R	A	-1.2630
106	G	A	-0.1508
107	V	A	1.3288
108	M	A	1.5570
109	K	A	0.7187
110	D	A	0.0000
111	Y	A	0.2901
112	F	A	0.0000
113	D	A	-0.0896
114	Y	A	-0.0091
115	W	A	-0.3746
116	G	A	0.0000
117	Q	A	-1.3450
118	G	A	0.0000
119	T	A	0.6063
120	L	A	1.7448
121	V	A	0.0000
122	T	A	0.4825
123	V	A	0.0000
124	S	A	-0.8457
125	S	A	-1.0554
126	G	A	-0.9528
127	G	A	-1.0901
128	G	A	-1.1766
129	G	A	-1.1784
130	S	A	-0.9397
131	G	A	-1.5079
132	G	A	-1.1871
133	G	A	-1.3849
134	G	A	-1.4110
135	S	A	-1.0373
136	G	A	-1.4947
137	G	A	-1.4587
138	G	A	-1.2940
139	G	A	-1.4401
140	S	A	-0.7623
141	A	A	-0.9308
142	I	A	0.0000
143	Q	A	-1.7739
144	L	A	-1.3643
145	T	A	-1.2453
146	Q	A	-1.0300
147	S	A	-0.8506
148	P	A	-0.6070
149	S	A	-0.8163
150	S	A	-0.9705
151	L	A	-0.7209
152	S	A	-1.0606
153	A	A	-1.0125
154	S	A	-0.7604
155	V	A	0.1250
156	G	A	-0.8018
157	D	A	-1.6799
158	R	A	-2.3185
159	V	A	0.0000
160	T	A	-0.6316
161	I	A	0.0000
162	T	A	-0.8904
163	C	A	0.0000
164	R	A	-2.8520
165	A	A	0.0000
166	S	A	-1.8865
167	Q	A	-2.4194
168	D	A	-2.4916
169	I	A	0.0000
170	S	A	-1.3653
171	S	A	-0.9415
172	A	A	0.0000
173	L	A	0.0000
174	V	A	0.0000
175	W	A	0.0000
176	Y	A	0.0000
177	Q	A	0.0000
178	Q	A	0.0000
179	K	A	-1.8099
180	P	A	-1.1928
181	G	A	-1.7183
182	K	A	-2.6984
183	A	A	-1.7415
184	P	A	0.0000
185	K	A	-1.8055
186	L	A	0.0000
187	L	A	0.0000
188	I	A	0.0000
189	Y	A	0.0202
190	D	A	-0.3027
191	A	A	0.0000
192	S	A	-0.5885
193	S	A	-0.1371
194	L	A	0.0402
195	E	A	-0.6070
196	S	A	-0.5631
197	G	A	-0.6574
198	V	A	0.0000
199	P	A	-0.4654
200	S	A	-0.4972
201	R	A	-0.7845
202	F	A	0.0000
203	S	A	-0.3347
204	G	A	-0.5505
205	S	A	-1.1565
206	E	A	-2.0801
207	S	A	-1.4926
208	G	A	-1.7593
209	T	A	-2.1162
210	D	A	-2.1722
211	F	A	0.0000
212	T	A	-0.9383
213	L	A	0.0000
214	T	A	-0.6010
215	I	A	0.0000
216	S	A	-1.3340
217	S	A	-1.1318
218	L	A	0.0000
219	Q	A	-0.6901
220	P	A	-1.0165
221	E	A	-1.6780
222	D	A	0.0000
223	F	A	-0.5287
224	A	A	0.0000
225	T	A	-0.8424
226	Y	A	0.0000
227	Y	A	0.0000
228	C	A	0.0000
229	Q	A	0.0000
230	Q	A	0.0000
231	F	A	0.0000
232	N	A	-0.2613
233	S	A	-0.1758
234	Y	A	0.2939
235	P	A	-0.2421
236	L	A	0.0000
237	T	A	-0.3547
238	F	A	-0.2831
239	G	A	0.0000
240	G	A	-1.1595
241	G	A	0.0000
242	T	A	0.0000
243	K	A	-1.5899
244	V	A	0.0000
245	E	A	-1.3649
246	I	A	-0.7754
247	K	A	-1.5325