Project name: f00658b4b947b44

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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.7711
• Maximal score value: 1.6643
• Average score: -0.7825
• Total score value: -135.3719

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	0.7628
2	D	D	0.3334
3	V	D	1.2487
4	T	D	0.9848
5	I	D	1.0049
6	Q	D	0.2781
7	H	D	-0.5265
8	P	D	-0.5654
9	W	D	-0.1312
10	F	D	0.0000
11	K	D	-2.1823
12	R	D	-2.1044
13	T	D	0.0000
14	L	D	-0.7288
15	G	D	-1.1708
16	P	D	-0.5334
17	F	D	0.0000
18	Y	D	0.1583
19	P	D	-0.1445
20	S	D	-0.4865
21	R	D	-2.0732
22	L	D	-0.9606
23	F	D	0.0000
24	D	D	-2.1737
25	Q	D	-2.1765
26	F	D	-1.0543
27	F	D	-1.0783
28	G	D	-1.5265
29	E	D	-1.9189
30	G	D	-0.8430
31	L	D	1.0632
32	F	D	1.5396
33	E	D	-0.2357
34	Y	D	0.7481
35	D	D	-0.3558
36	L	D	1.2634
37	L	D	1.4248
38	P	D	0.9142
39	F	D	1.2407
40	L	D	0.7255
41	S	D	0.2229
42	S	D	0.3830
43	T	D	0.8075
44	I	D	1.6643
45	S	D	0.8141
46	P	D	0.0000
47	Y	D	0.0000
48	Y	D	-0.5498
49	R	D	-1.4371
50	Q	D	-1.1479
51	S	D	-0.0475
52	L	D	1.5146
53	F	D	0.0000
54	R	D	0.1373
55	T	D	0.5751
56	V	D	1.5757
57	L	D	0.3585
58	D	D	-0.4953
59	S	D	-0.0380
60	G	D	-0.1034
61	I	D	1.2564
62	S	D	0.0000
63	E	D	-0.4100
64	V	D	0.0000
65	R	D	-0.8650
66	S	D	0.0000
67	D	D	-2.3508
68	R	D	-3.2940
69	D	D	-2.9653
70	K	D	-2.0942
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	-1.1110
77	V	D	0.0000
78	K	D	-2.1259
79	H	D	-1.7397
80	F	D	0.0000
81	S	D	-1.1986
82	P	D	0.0000
83	E	D	-2.3409
84	D	D	-2.1590
85	L	D	0.0000
86	T	D	-0.9661
87	V	D	0.0000
88	K	D	-2.1049
89	V	D	0.0000
90	Q	D	-2.9136
91	D	D	-2.5903
92	D	D	-1.5525
93	F	D	-1.6492
94	V	D	0.0000
95	E	D	-1.9232
96	I	D	0.0000
97	H	D	-2.0508
98	G	D	0.0000
99	K	D	-3.7346
100	H	D	-3.3732
101	N	D	-3.3901
102	E	D	-3.3305
103	R	D	-3.0762
104	Q	D	-2.8193
105	D	D	-2.8137
106	D	D	-2.9448
107	H	D	-2.0540
108	G	D	-1.3946
109	Y	D	-0.7199
110	I	D	-1.0643
111	S	D	-2.7740
112	R	D	-3.7193
113	E	D	-3.7711
114	F	D	-2.0550
115	H	D	-2.1343
116	R	D	-1.5689
117	R	D	-2.1723
118	Y	D	-0.9094
119	R	D	-0.9612
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	-0.6507
126	Q	D	0.0000
127	S	D	-1.1459
128	A	D	-0.4704
129	L	D	0.0000
130	S	D	-0.5649
131	C	D	0.0000
132	S	D	0.0000
133	L	D	-1.3300
134	S	D	-0.9964
135	A	D	-0.7679
136	D	D	-1.3620
137	G	D	-1.2420
138	M	D	-1.0968
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	-0.7798
145	K	D	-0.9016
146	I	D	0.3758
147	Q	D	-0.8484
148	T	D	-0.9504
149	G	D	-0.2071
150	L	D	0.8674
151	D	D	-0.0288
152	A	D	-0.3858
153	T	D	-0.5858
154	H	D	-1.1646
155	A	D	-1.9038
156	E	D	-3.4248
157	R	D	-3.0095
158	A	D	-1.7116
159	I	D	0.0000
160	P	D	-0.5978
161	V	D	-0.7817
162	S	D	-1.5227
163	R	D	-2.8215
164	E	D	-2.1780
165	E	D	-2.7962
166	K	D	-1.9066
167	P	D	-1.1233
168	T	D	-0.8053
169	S	D	-0.8337
170	A	D	-1.0149
171	P	D	-0.8929
172	S	D	-0.4718
173	S	D	-0.3646