Project name: 6f05e2fe7620d07

Chain sequence(s)	C: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
Selected Chain(s)	C
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 C 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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -3.8375
• Maximal score value: 1.528
• Average score: -0.6839
• Total score value: -118.3136

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	C	-1.1076
2	D	C	-1.5809
3	V	C	-0.4037
4	T	C	0.0914
5	I	C	1.2275
6	Q	C	-0.6647
7	H	C	-1.1114
8	P	C	0.0000
9	W	C	0.4287
10	F	C	0.9657
11	K	C	0.0000
12	R	C	0.0000
13	T	C	0.0000
14	L	C	0.6989
15	G	C	0.3643
16	P	C	0.4075
17	F	C	0.6486
18	Y	C	0.5385
19	P	C	0.3146
20	S	C	0.0000
21	R	C	-0.3747
22	L	C	0.6608
23	F	C	0.0000
24	D	C	-0.4076
25	Q	C	-0.7115
26	F	C	0.2274
27	F	C	0.1905
28	G	C	-0.7689
29	E	C	-1.6534
30	G	C	-0.5918
31	L	C	0.7089
32	F	C	0.1394
33	E	C	-1.1118
34	Y	C	0.0620
35	D	C	-0.7236
36	L	C	1.1878
37	L	C	0.8904
38	P	C	0.6515
39	F	C	0.6805
40	L	C	1.5280
41	S	C	0.8766
42	S	C	0.7147
43	T	C	0.3316
44	I	C	0.7476
45	S	C	0.5587
46	P	C	0.4296
47	Y	C	0.4803
48	Y	C	0.1740
49	R	C	-1.1262
50	Q	C	0.0000
51	S	C	-0.7990
52	L	C	-0.1242
53	F	C	0.0000
54	R	C	-2.0231
55	T	C	-0.8454
56	V	C	-0.4918
57	L	C	0.0000
58	D	C	-1.7426
59	S	C	-1.0195
60	G	C	-0.6784
61	I	C	0.3001
62	S	C	0.0000
63	E	C	-1.3996
64	V	C	0.0000
65	R	C	-1.2593
66	S	C	0.0000
67	D	C	-1.9526
68	R	C	-2.6824
69	D	C	-1.8121
70	K	C	-1.6928
71	F	C	0.0000
72	V	C	0.0000
73	I	C	0.0000
74	F	C	-0.2474
75	L	C	0.0000
76	D	C	-2.1479
77	V	C	-1.8018
78	K	C	-2.7221
79	H	C	-2.8281
80	F	C	0.0000
81	S	C	-1.9539
82	P	C	-1.6725
83	E	C	-2.1184
84	D	C	-2.2276
85	L	C	0.0000
86	T	C	-0.4823
87	V	C	0.0000
88	K	C	-1.7366
89	V	C	0.0000
90	Q	C	-1.8980
91	D	C	-1.5000
92	D	C	0.0000
93	F	C	-1.0257
94	V	C	0.0000
95	E	C	0.0000
96	I	C	0.0000
97	H	C	-1.7605
98	G	C	0.0000
99	K	C	-3.6868
100	H	C	-2.9953
101	N	C	-2.5104
102	E	C	-2.0655
103	R	C	-3.2535
104	Q	C	-3.4213
105	D	C	-3.8375
106	D	C	-3.6487
107	H	C	-2.7604
108	G	C	-1.7518
109	Y	C	-0.4214
110	I	C	-0.6553
111	S	C	-1.6850
112	R	C	-2.6777
113	E	C	-3.3518
114	F	C	-1.6952
115	H	C	-2.0728
116	R	C	-1.2951
117	R	C	-2.3678
118	Y	C	-0.8256
119	R	C	-0.4597
120	L	C	0.0000
121	P	C	0.0000
122	S	C	0.2589
123	N	C	-0.3778
124	V	C	0.0000
125	D	C	-0.5298
126	Q	C	0.0000
127	S	C	-1.1681
128	A	C	-0.4366
129	L	C	0.0000
130	S	C	-0.2844
131	C	C	0.0000
132	S	C	-0.8204
133	L	C	0.0000
134	S	C	-1.5397
135	A	C	-1.4670
136	D	C	-2.3111
137	G	C	0.0000
138	M	C	-1.0143
139	L	C	0.0000
140	T	C	0.0000
141	F	C	0.0000
142	C	C	-0.4676
143	G	C	0.0000
144	P	C	-0.1724
145	K	C	0.0785
146	I	C	1.1597
147	Q	C	-0.8276
148	T	C	-0.9939
149	G	C	-0.2511
150	L	C	0.4860
151	D	C	-0.2697
152	A	C	0.2482
153	T	C	0.2138
154	H	C	0.0000
155	A	C	-0.7610
156	E	C	-2.3084
157	R	C	-2.5915
158	A	C	-1.3584
159	I	C	0.0000
160	P	C	-0.2088
161	V	C	0.3766
162	S	C	-0.7331
163	R	C	-2.2445
164	E	C	-2.0430
165	E	C	-2.6150
166	K	C	-1.6796
167	P	C	-0.9212
168	T	C	-0.5466
169	S	C	-0.4210
170	A	C	-0.6574
171	P	C	-0.6193
172	S	C	-0.8986
173	S	C	-0.4005