Project name: C1Q_Alpha

Chain sequence(s)	A: MRPLLVLLLLGLAAGSPPLDDNKIPSLCPGHPGLPGTPGHHGSQGLPGRDGRDGRDGAPGAPGEKGEGGRPGLPGPRGDPGPRGEAGPAGPTGPAGECSVPPRSAFSAKRSESRVPPPSDAPLPFDRVLVNEQGHYDAVTGKFTCQVPGVYYFAVHATVYRASLQFDLVKNGESIASFFQFFGGWPKPASLSGGAMVRLEPEDQVWVQVGVGDYIGIYASIKTDSTFSGFLVYSDWHSSPVFA
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]                                                (00:00:01)
[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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.9445
• Maximal score value: 4.3831
• Average score: -0.5498
• Total score value: -133.6084

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	A	0.7469
2	R	A	-0.4068
3	P	A	0.9323
4	L	A	2.9794
5	L	A	2.9211
6	V	A	3.1880
7	L	A	4.1104
8	L	A	4.3831
9	L	A	4.3792
10	L	A	3.8920
11	G	A	2.4681
12	L	A	2.6997
13	A	A	1.4961
14	A	A	0.5811
15	G	A	-0.0844
16	S	A	-0.0545
17	P	A	-0.5020
18	P	A	-0.5542
19	L	A	-0.2919
20	D	A	-2.7114
21	D	A	-3.0980
22	N	A	-2.6337
23	K	A	-2.3247
24	I	A	0.6148
25	P	A	0.4493
26	S	A	0.7449
27	L	A	2.4275
28	C	A	0.9870
29	P	A	0.0803
30	G	A	-1.0659
31	H	A	-1.3918
32	P	A	-0.8502
33	G	A	-0.5213
34	L	A	0.8187
35	P	A	0.0044
36	G	A	-0.5925
37	T	A	-0.5735
38	P	A	-1.0608
39	G	A	-2.0440
40	H	A	-1.9595
41	H	A	-2.3417
42	G	A	-2.1350
43	S	A	-1.3498
44	Q	A	-1.5223
45	G	A	-0.8785
46	L	A	0.5412
47	P	A	-0.6609
48	G	A	-1.7244
49	R	A	-3.1620
50	D	A	-3.7223
51	G	A	-3.2765
52	R	A	-3.9445
53	D	A	-3.9169
54	G	A	-3.2609
55	R	A	-3.6621
56	D	A	-3.3012
57	G	A	-1.8471
58	A	A	-1.0015
59	P	A	-0.8756
60	G	A	-0.6680
61	A	A	-0.4478
62	P	A	-1.3242
63	G	A	-2.0038
64	E	A	-3.2502
65	K	A	-3.4806
66	G	A	-2.8795
67	E	A	-3.2362
68	G	A	-2.4529
69	G	A	-2.2304
70	R	A	-2.4509
71	P	A	-1.2030
72	G	A	-0.4967
73	L	A	0.7349
74	P	A	-0.1996
75	G	A	-0.9567
76	P	A	-1.5816
77	R	A	-2.8480
78	G	A	-2.6793
79	D	A	-2.7593
80	P	A	-2.1171
81	G	A	-2.1454
82	P	A	-2.0610
83	R	A	-2.9818
84	G	A	-2.8248
85	E	A	-2.6909
86	A	A	-1.6028
87	G	A	-1.3233
88	P	A	-0.8632
89	A	A	-0.5836
90	G	A	-0.7610
91	P	A	-0.7467
92	T	A	-0.8434
93	G	A	-1.2076
94	P	A	-1.0201
95	A	A	-0.8316
96	G	A	-1.1528
97	E	A	-1.4101
98	C	A	0.5352
99	S	A	0.7203
100	V	A	1.2359
101	P	A	0.3053
102	P	A	-0.5408
103	R	A	-1.5468
104	S	A	0.0000
105	A	A	0.0255
106	F	A	0.0000
107	S	A	0.9827
108	A	A	0.0000
109	K	A	-1.5504
110	R	A	-1.9058
111	S	A	-2.0962
112	E	A	-1.9805
113	S	A	-1.3734
114	R	A	-1.4592
115	V	A	0.4587
116	P	A	-0.0085
117	P	A	0.0000
118	P	A	-0.6132
119	S	A	-1.3882
120	D	A	-2.0717
121	A	A	-1.1576
122	P	A	-0.5258
123	L	A	0.0000
124	P	A	-0.6973
125	F	A	0.0000
126	D	A	-1.6101
127	R	A	-1.3989
128	V	A	0.7101
129	L	A	1.7500
130	V	A	1.4437
131	N	A	-0.3472
132	E	A	-1.9784
133	Q	A	-1.8169
134	G	A	-1.4717
135	H	A	-1.3075
136	Y	A	0.0000
137	D	A	-0.8992
138	A	A	-0.5971
139	V	A	0.7878
140	T	A	0.1514
141	G	A	0.0000
142	K	A	-0.6077
143	F	A	0.0000
144	T	A	-1.7065
145	C	A	0.0000
146	Q	A	-1.9908
147	V	A	0.0000
148	P	A	0.0000
149	G	A	0.0000
150	V	A	0.5604
151	Y	A	0.0000
152	Y	A	1.6921
153	F	A	0.0000
154	A	A	0.0607
155	V	A	0.0000
156	H	A	-1.3072
157	A	A	0.0000
158	T	A	0.0000
159	V	A	0.0000
160	Y	A	-0.7731
161	R	A	-1.8622
162	A	A	-0.5959
163	S	A	0.5632
164	L	A	0.0000
165	Q	A	0.9692
166	F	A	0.0000
167	D	A	-0.4819
168	L	A	0.0000
169	V	A	0.0000
170	K	A	-1.8924
171	N	A	-2.5528
172	G	A	-2.3155
173	E	A	-2.5112
174	S	A	-1.3521
175	I	A	-0.1706
176	A	A	-0.0466
177	S	A	0.2276
178	F	A	0.8947
179	F	A	2.3216
180	Q	A	1.6608
181	F	A	2.2530
182	F	A	0.6467
183	G	A	-0.0118
184	G	A	-0.7170
185	W	A	-0.5823
186	P	A	-1.1381
187	K	A	-1.8917
188	P	A	-1.0747
189	A	A	-0.3205
190	S	A	-0.3397
191	L	A	0.0000
192	S	A	-0.3992
193	G	A	-0.1377
194	G	A	0.0427
195	A	A	0.6752
196	M	A	1.4227
197	V	A	0.5523
198	R	A	-0.9663
199	L	A	0.0000
200	E	A	-2.9083
201	P	A	-2.2801
202	E	A	-2.8633
203	D	A	-2.5023
204	Q	A	-1.9365
205	V	A	0.0000
206	W	A	0.0000
207	V	A	0.0000
208	Q	A	-0.8318
209	V	A	0.0000
210	G	A	-0.8423
211	V	A	-0.1662
212	G	A	-1.1611
213	D	A	-1.4703
214	Y	A	0.2286
215	I	A	-0.2104
216	G	A	0.0000
217	I	A	0.0000
218	Y	A	-0.8871
219	A	A	0.0000
220	S	A	-0.5910
221	I	A	0.5989
222	K	A	-1.0850
223	T	A	-1.1991
224	D	A	-1.9980
225	S	A	0.0000
226	T	A	-0.8689
227	F	A	0.0000
228	S	A	0.5331
229	G	A	0.0000
230	F	A	1.7224
231	L	A	1.3682
232	V	A	2.0071
233	Y	A	1.3187
234	S	A	-0.5630
235	D	A	-1.5583
236	W	A	-0.5530
237	H	A	-1.1506
238	S	A	-0.3441
239	S	A	0.4872
240	P	A	1.0768
241	V	A	2.9554
242	F	A	2.6022
243	A	A	1.3419