Project name: gene2

Chain sequence(s)	A: MRNSQERNNRLENLCWRIWNVARRKKQKIERMLTIEHTKFPTAKEFLEYATQFAPPSGFTIQFVTLMSPNTRIVLFSATASLRSYAPSLVRIASSVVSSCRRALGRKSSPFQCGEEELTSVRRRSRRCWGGRAHMRRSSTGAGSKSSPACAGRLASVGRKKSSPGVGRKKLADIGEEDPLARGERRTHRRRGGARRWCPDDSDGHRATGGQRRSASEGWSGTE
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)

• Minimal score value: -4.9904
• Maximal score value: 2.8391
• Average score: -1.0889
• Total score value: -242.8164

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	-0.1897
2	R	A	-2.4186
3	N	A	-3.2761
4	S	A	-2.9611
5	Q	A	-3.7459
6	E	A	-4.1722
7	R	A	-4.3178
8	N	A	-3.6224
9	N	A	-3.4015
10	R	A	-3.2418
11	L	A	-1.4350
12	E	A	-1.3210
13	N	A	-0.4650
14	L	A	0.9425
15	C	A	1.3722
16	W	A	1.6171
17	R	A	0.2992
18	I	A	2.0334
19	W	A	1.2619
20	N	A	-0.5757
21	V	A	0.0045
22	A	A	-1.4924
23	R	A	-3.7042
24	R	A	-4.3976
25	K	A	-4.6254
26	K	A	-4.9904
27	Q	A	-4.8751
28	K	A	-4.6144
29	I	A	-2.6241
30	E	A	-2.8849
31	R	A	-2.7311
32	M	A	-0.7967
33	L	A	-0.1976
34	T	A	-0.2574
35	I	A	0.9192
36	E	A	-0.9056
37	H	A	-1.2620
38	T	A	-1.1944
39	K	A	-1.8021
40	F	A	-0.5451
41	P	A	-0.7872
42	T	A	-0.7614
43	A	A	-0.7798
44	K	A	-2.0962
45	E	A	-1.8306
46	F	A	-0.7536
47	L	A	-0.6491
48	E	A	-1.9570
49	Y	A	-0.4076
50	A	A	0.0419
51	T	A	-0.3138
52	Q	A	-0.4866
53	F	A	1.2409
54	A	A	0.6609
55	P	A	0.5039
56	P	A	0.0736
57	S	A	-0.1253
58	G	A	0.1106
59	F	A	1.3121
60	T	A	0.7599
61	I	A	1.0572
62	Q	A	0.3248
63	F	A	1.8236
64	V	A	2.8204
65	T	A	2.4104
66	L	A	2.8391
67	M	A	1.7104
68	S	A	0.2638
69	P	A	-0.6920
70	N	A	-1.5164
71	T	A	-0.9244
72	R	A	-1.1316
73	I	A	1.1132
74	V	A	2.0803
75	L	A	2.5326
76	F	A	2.3051
77	S	A	1.2845
78	A	A	0.8011
79	T	A	0.4653
80	A	A	0.3034
81	S	A	0.0996
82	L	A	0.3435
83	R	A	-1.3431
84	S	A	-0.4396
85	Y	A	1.1058
86	A	A	0.5532
87	P	A	0.3324
88	S	A	0.6316
89	L	A	1.8233
90	V	A	1.3978
91	R	A	0.1035
92	I	A	2.2992
93	A	A	1.8291
94	S	A	1.0951
95	S	A	1.2667
96	V	A	2.0103
97	V	A	1.3869
98	S	A	0.0754
99	S	A	-0.1423
100	C	A	0.0684
101	R	A	-1.8921
102	R	A	-2.3500
103	A	A	-1.1523
104	L	A	-0.5956
105	G	A	-2.2951
106	R	A	-3.1241
107	K	A	-2.5863
108	S	A	-1.2719
109	S	A	-0.8026
110	P	A	0.1466
111	F	A	1.2899
112	Q	A	-0.3247
113	C	A	-0.2874
114	G	A	-1.8193
115	E	A	-3.1283
116	E	A	-3.3612
117	E	A	-2.6902
118	L	A	-1.0221
119	T	A	-1.8274
120	S	A	-1.6391
121	V	A	-0.5553
122	R	A	-2.9174
123	R	A	-3.5979
124	R	A	-3.6457
125	S	A	-2.8423
126	R	A	-3.6283
127	R	A	-3.2270
128	C	A	-0.6192
129	W	A	0.1448
130	G	A	-0.8624
131	G	A	-1.2817
132	R	A	-2.1490
133	A	A	-1.4028
134	H	A	-1.6512
135	M	A	-0.9629
136	R	A	-2.5510
137	R	A	-2.7878
138	S	A	-1.5347
139	S	A	-1.1682
140	T	A	-0.6339
141	G	A	-0.6266
142	A	A	-0.4519
143	G	A	-1.0233
144	S	A	-1.2804
145	K	A	-2.0658
146	S	A	-1.4136
147	S	A	-0.7980
148	P	A	-0.2048
149	A	A	0.3033
150	C	A	0.6335
151	A	A	-0.2397
152	G	A	-0.8500
153	R	A	-1.3023
154	L	A	0.5552
155	A	A	0.7053
156	S	A	0.9155
157	V	A	1.0100
158	G	A	-0.7471
159	R	A	-2.8996
160	K	A	-3.5694
161	K	A	-3.1027
162	S	A	-1.6580
163	S	A	-0.7373
164	P	A	-0.3416
165	G	A	0.0484
166	V	A	0.6923
167	G	A	-1.2373
168	R	A	-2.7851
169	K	A	-2.9748
170	K	A	-2.4304
171	L	A	-0.0220
172	A	A	-0.2917
173	D	A	-0.9255
174	I	A	0.6976
175	G	A	-1.2554
176	E	A	-3.1219
177	E	A	-3.5675
178	D	A	-2.8142
179	P	A	-1.1988
180	L	A	0.3639
181	A	A	-0.3574
182	R	A	-2.3624
183	G	A	-2.8273
184	E	A	-3.8924
185	R	A	-4.0427
186	R	A	-3.8627
187	T	A	-2.9458
188	H	A	-3.3557
189	R	A	-4.0056
190	R	A	-4.0829
191	R	A	-3.6826
192	G	A	-2.4998
193	G	A	-2.0833
194	A	A	-1.7550
195	R	A	-2.5158
196	R	A	-2.0152
197	W	A	-0.0255
198	C	A	-0.0522
199	P	A	-0.9309
200	D	A	-2.6928
201	D	A	-3.1567
202	S	A	-2.6473
203	D	A	-3.1277
204	G	A	-2.5138
205	H	A	-2.5352
206	R	A	-2.6239
207	A	A	-1.2312
208	T	A	-0.8760
209	G	A	-1.0082
210	G	A	-1.9511
211	Q	A	-2.8599
212	R	A	-3.5868
213	R	A	-3.2654
214	S	A	-1.5894
215	A	A	-0.9258
216	S	A	-1.3727
217	E	A	-1.9145
218	G	A	-1.0384
219	W	A	0.3509
220	S	A	0.0853
221	G	A	-0.7467
222	T	A	-1.2479
223	E	A	-1.9561