Project name: query_structure

Chain sequence(s)	A: IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSNSSCKSSYPGQITGNMICVGFLQGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN; I: RICPRIWMECTRDSDCMAKCICVAGHCG
Selected Chain(s)	A,I
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:24)

• Minimal score value: -3.1354
• Maximal score value: 1.3277
• Average score: -0.5333
• Total score value: -133.8633

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
16	I	A	0.0000
17	V	A	0.0000
18	G	A	-1.0787
19	G	A	-0.3533
20	Y	A	0.8988
21	T	A	0.5702
22	C	A	0.0000
23	A	A	-0.1078
24	A	A	-0.5893
25	N	A	-1.3309
26	S	A	-0.6792
27	I	A	0.0000
28	P	A	-0.3742
29	Y	A	0.1854
30	Q	A	0.0000
31	V	A	0.0000
32	S	A	0.0000
33	L	A	0.0000
34	N	A	-0.9526
37	S	A	-1.1809
38	G	A	-0.9165
39	S	A	-0.4800
40	H	A	0.0000
41	F	A	0.0000
42	C	A	0.0000
43	G	A	0.0000
44	G	A	0.0000
45	S	A	0.0000
46	L	A	0.0000
47	I	A	-0.0220
48	N	A	-0.3369
49	S	A	-0.3477
50	Q	A	-0.7863
51	W	A	0.0000
52	V	A	0.0000
53	V	A	0.0000
54	S	A	0.0000
55	A	A	0.0000
56	A	A	0.0000
57	H	A	0.0000
58	C	A	0.0000
59	Y	A	0.3977
60	K	A	-1.0165
61	S	A	-1.3026
62	R	A	-2.3776
63	I	A	0.0000
64	Q	A	-1.1772
65	V	A	0.0000
66	R	A	-0.2577
67	L	A	0.0000
69	G	A	0.0000
70	E	A	0.0000
71	H	A	-0.4251
72	N	A	0.0748
73	I	A	-0.0241
74	D	A	-0.6051
75	V	A	1.3277
76	L	A	1.0673
77	E	A	-0.7315
78	G	A	-1.0259
79	N	A	-1.8803
80	E	A	-0.8567
81	Q	A	-0.4137
82	F	A	0.3575
83	I	A	-0.4144
84	N	A	-1.6633
85	A	A	-1.2727
86	A	A	-1.0177
87	K	A	-0.9016
88	I	A	-0.0551
89	I	A	0.4504
90	T	A	0.1833
91	H	A	-0.4594
92	P	A	-0.7929
93	N	A	-1.4083
94	F	A	-0.8154
95	N	A	-1.2800
96	G	A	-1.1761
97	N	A	-1.7142
98	T	A	-0.9352
99	L	A	0.0000
100	D	A	-0.9087
101	N	A	0.0000
102	D	A	0.0000
103	I	A	0.0000
104	M	A	0.0000
105	L	A	0.0000
106	I	A	0.0000
107	K	A	-1.0720
108	L	A	0.0000
109	S	A	-0.9938
110	S	A	-0.7517
111	P	A	-0.5374
112	A	A	0.0000
113	T	A	-0.0542
114	L	A	0.3258
115	N	A	-0.7899
116	S	A	-0.9048
117	R	A	0.0000
118	V	A	0.0000
119	A	A	0.0049
120	T	A	0.0360
121	V	A	0.0000
122	S	A	-0.5182
123	L	A	-0.3975
124	P	A	0.0000
125	R	A	-1.7215
127	S	A	-0.7785
128	C	A	0.0212
129	A	A	-0.3542
130	A	A	-0.2321
132	A	A	-0.4688
133	G	A	-0.8289
134	T	A	-1.2647
135	E	A	-2.4804
136	C	A	0.0000
137	L	A	-0.9542
138	I	A	0.0000
139	S	A	0.0000
140	G	A	0.0000
141	W	A	0.0000
142	G	A	0.0000
143	N	A	0.0000
144	T	A	-0.7563
145	K	A	-1.6221
146	S	A	-1.3640
147	S	A	-0.9632
148	G	A	-0.8434
149	S	A	-0.6998
150	S	A	-0.5341
151	Y	A	0.0419
152	P	A	-0.0941
153	S	A	-0.1070
154	L	A	0.3608
155	L	A	0.0000
156	Q	A	0.2327
157	C	A	0.0000
158	L	A	0.0000
159	K	A	-2.0440
160	A	A	0.0000
161	P	A	-1.1948
162	V	A	0.0000
163	L	A	-0.3317
164	S	A	-0.8297
165	N	A	-1.6138
166	S	A	-1.1975
167	S	A	-0.9114
168	C	A	0.0000
169	K	A	-1.6012
170	S	A	-1.2156
171	S	A	0.0000
172	Y	A	0.0000
173	P	A	-0.8789
174	G	A	-0.8902
175	Q	A	-0.7162
176	I	A	-0.7480
177	T	A	-0.6865
178	G	A	-0.8266
179	N	A	-0.6512
180	M	A	0.0000
181	I	A	-0.2766
182	C	A	0.0000
183	V	A	0.0000
184A	G	A	0.0000
184	F	A	-0.7272
185	L	A	-1.2065
186	Q	A	-2.1655
187	G	A	-2.1701
188A	G	A	-1.7872
188	K	A	-1.8581
189	D	A	0.0000
190	S	A	0.0000
191	C	A	0.0000
192	Q	A	0.0000
193	G	A	0.0000
194	D	A	0.0000
195	S	A	0.0000
196	G	A	0.0000
197	G	A	0.0000
198	P	A	0.0000
199	V	A	0.0000
200	V	A	-0.6808
201	C	A	0.0000
202	N	A	-1.8240
203	G	A	-1.0931
204	Q	A	-0.9898
209	L	A	0.0000
210	Q	A	0.0000
211	G	A	0.0000
212	I	A	0.0000
213	V	A	0.0000
214	S	A	0.0000
215	W	A	0.0000
216	G	A	0.0000
217	Y	A	-0.6050
219	G	A	-0.6243
220	C	A	-0.8940
221A	A	A	-1.7045
221	Q	A	-2.2222
222	K	A	-3.0109
223	N	A	-2.0936
224	K	A	-1.5035
225	P	A	0.0000
226	G	A	0.0000
227	V	A	0.0000
228	Y	A	0.0000
229	T	A	0.0000
230	K	A	-0.4054
231	V	A	0.0000
232	C	A	-0.5017
233	N	A	-0.7001
234	Y	A	0.0000
235	V	A	-0.9352
236	N	A	-1.7605
237	W	A	-1.1201
238	I	A	0.0000
239	Q	A	-1.8972
240	Q	A	-2.0327
241	T	A	0.0000
242	I	A	-1.0689
243	A	A	-0.8544
244	A	A	-0.8631
245	N	A	-1.3221
1	R	I	-1.1828
2	I	I	0.0000
3	C	I	0.0000
4	P	I	0.0000
5	R	I	0.0000
6	I	I	0.0000
7	W	I	-0.1940
8	M	I	-0.9535
9	E	I	-2.1370
10	C	I	0.0000
11	T	I	-1.8258
12	R	I	-3.1354
13	D	I	-2.8395
14	S	I	-2.3750
15	D	I	-2.8978
16	C	I	-1.6136
17	M	I	-0.8041
18	A	I	-1.1610
19	K	I	-1.8567
20	C	I	0.0000
21	I	I	-0.3389
22	C	I	-0.7186
23	V	I	1.0936
24	A	I	0.3081
25	G	I	-0.9202
26	H	I	-1.0079
27	C	I	0.0000
28	G	I	-0.0719