Project name: 4bc24d26955e2bc

Chain sequence(s)	D: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
Selected Chain(s)	D
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 D 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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.7851
• Maximal score value: 1.9295
• Average score: -0.779
• Total score value: -134.7634

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	D	0.8753
2	D	D	0.5806
3	V	D	1.4443
4	T	D	1.1587
5	I	D	1.3064
6	Q	D	0.0000
7	H	D	-0.3589
8	P	D	-0.4204
9	W	D	0.1514
10	F	D	0.0000
11	K	D	-2.0652
12	R	D	-1.9718
13	T	D	0.0000
14	L	D	-0.6891
15	G	D	-1.1535
16	P	D	-0.5397
17	F	D	0.0000
18	Y	D	0.1332
19	P	D	-0.2386
20	S	D	-0.4278
21	R	D	-1.9907
22	L	D	-0.8720
23	F	D	0.0000
24	D	D	-1.9489
25	Q	D	-2.0423
26	F	D	-0.9675
27	F	D	-0.9911
28	G	D	-1.4565
29	E	D	-1.7988
30	G	D	-0.6696
31	L	D	1.2612
32	F	D	1.8266
33	E	D	-0.1021
34	Y	D	0.8306
35	D	D	-0.3038
36	L	D	1.2935
37	L	D	1.4703
38	P	D	0.9103
39	F	D	1.2375
40	L	D	0.7415
41	S	D	0.2640
42	S	D	0.4770
43	T	D	0.9801
44	I	D	1.9295
45	S	D	0.9296
46	P	D	0.0000
47	Y	D	0.0000
48	Y	D	-0.6011
49	R	D	-1.5971
50	Q	D	-1.2932
51	S	D	-0.1343
52	L	D	1.3450
53	F	D	0.0000
54	R	D	0.0529
55	T	D	0.5346
56	V	D	1.5338
57	L	D	0.3437
58	D	D	-0.4919
59	S	D	-0.0372
60	G	D	-0.1017
61	I	D	1.2597
62	S	D	0.0000
63	E	D	-0.3972
64	V	D	0.0000
65	R	D	-0.8862
66	S	D	0.0000
67	D	D	-2.6764
68	R	D	-3.4796
69	D	D	-3.1307
70	K	D	-2.3269
71	F	D	0.0000
72	V	D	0.0000
73	I	D	0.0000
74	F	D	0.0000
75	L	D	0.0000
76	D	D	-1.1033
77	V	D	0.0000
78	K	D	-2.1254
79	H	D	-1.7469
80	F	D	0.0000
81	S	D	-1.2079
82	P	D	0.0000
83	E	D	-2.3499
84	D	D	-2.1387
85	L	D	0.0000
86	T	D	-0.9292
87	V	D	0.0000
88	K	D	-2.2604
89	V	D	0.0000
90	Q	D	-3.1313
91	D	D	-2.6198
92	D	D	-1.4528
93	F	D	-1.6413
94	V	D	0.0000
95	E	D	-2.1939
96	I	D	0.0000
97	H	D	-1.8913
98	G	D	0.0000
99	K	D	-3.7748
100	H	D	-3.4336
101	N	D	-3.4276
102	E	D	-3.3704
103	R	D	-3.1390
104	Q	D	-2.8720
105	D	D	-2.8944
106	D	D	-2.9899
107	H	D	-2.0709
108	G	D	-1.4124
109	Y	D	-0.7319
110	I	D	-1.0443
111	S	D	-2.8172
112	R	D	-3.7640
113	E	D	-3.7851
114	F	D	-2.0267
115	H	D	-2.1555
116	R	D	-1.7209
117	R	D	-2.5041
118	Y	D	-0.9661
119	R	D	-0.6790
120	L	D	0.0000
121	P	D	0.0000
122	S	D	0.0000
123	N	D	0.0000
124	V	D	0.0000
125	D	D	-0.6730
126	Q	D	0.0000
127	S	D	-1.1475
128	A	D	-0.4733
129	L	D	0.0000
130	S	D	-0.5786
131	C	D	0.0000
132	S	D	0.0000
133	L	D	-1.3560
134	S	D	-1.0070
135	A	D	-0.7718
136	D	D	-1.3605
137	G	D	-1.2409
138	M	D	-1.0920
139	L	D	0.0000
140	T	D	0.0000
141	F	D	0.0000
142	C	D	0.0000
143	G	D	0.0000
144	P	D	-0.8803
145	K	D	-1.0039
146	I	D	0.3453
147	Q	D	-0.8673
148	T	D	-0.9747
149	G	D	-0.2205
150	L	D	0.8683
151	D	D	-0.0352
152	A	D	-0.4153
153	T	D	-0.5915
154	H	D	-1.1422
155	A	D	-1.9053
156	E	D	-3.4672
157	R	D	-3.0525
158	A	D	-1.7839
159	I	D	0.0000
160	P	D	-0.6067
161	V	D	-0.7829
162	S	D	-1.5401
163	R	D	-2.8537
164	E	D	-2.2197
165	E	D	-2.8841
166	K	D	-1.8835
167	P	D	-1.1042
168	T	D	-0.7969
169	S	D	-0.8356
170	A	D	-1.0240
171	P	D	-0.9065
172	S	D	-0.4717
173	S	D	-0.3646