Project name: Kajal

Chain sequence(s)	A: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEK
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.8175
• Maximal score value: 1.3586
• Average score: -1.4045
• Total score value: -148.8821

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
61	I	A	1.3586
62	S	A	-0.1528
63	E	A	-1.7685
64	V	A	-0.9485
65	R	A	-2.2456
66	S	A	-2.4300
67	D	A	-3.8175
68	R	A	-3.5266
69	D	A	-3.2249
70	K	A	-2.4934
71	F	A	-1.5171
72	V	A	0.0000
73	I	A	0.0000
74	F	A	-0.7840
75	L	A	0.0000
76	D	A	-1.6632
77	V	A	0.0000
78	K	A	-2.4188
79	H	A	-2.0848
80	F	A	0.0000
81	S	A	-1.3192
82	P	A	0.0000
83	E	A	-2.4863
84	D	A	-2.2145
85	L	A	0.0000
86	T	A	-1.0370
87	V	A	0.0000
88	K	A	-1.7993
89	V	A	0.0000
90	Q	A	-3.1652
91	D	A	-3.3574
92	D	A	-3.5217
93	F	A	-2.7968
94	V	A	0.0000
95	E	A	0.0000
96	I	A	0.0000
97	H	A	-1.6874
98	G	A	0.0000
99	K	A	-3.5354
100	H	A	-3.1126
101	N	A	-2.9359
102	E	A	-2.5217
103	R	A	-2.7290
104	Q	A	-2.9256
105	D	A	-3.1141
106	D	A	-3.2258
107	H	A	-2.3366
108	G	A	-1.5199
109	Y	A	-0.5439
110	I	A	-0.7647
111	S	A	-2.2141
112	R	A	-3.2308
113	E	A	-3.1469
114	F	A	-1.7131
115	H	A	-1.9403
116	R	A	-1.6599
117	R	A	-2.5554
118	Y	A	-1.6536
119	R	A	-2.6825
120	L	A	0.0000
121	P	A	-1.3027
122	S	A	-1.2823
123	N	A	-1.0746
124	V	A	0.0000
125	D	A	-0.8996
126	Q	A	0.0000
127	S	A	-0.8527
128	A	A	-0.3447
129	L	A	0.0000
130	S	A	-0.7270
131	C	A	0.0000
132	S	A	0.0000
133	L	A	-1.5462
134	S	A	-1.4239
135	A	A	-1.1544
136	D	A	-2.3676
137	G	A	-1.7080
138	M	A	-1.5014
139	L	A	0.0000
140	T	A	0.0000
141	F	A	0.0000
142	C	A	-0.2150
143	G	A	0.0000
144	P	A	-0.8046
145	K	A	0.0000
146	I	A	0.2938
147	Q	A	-1.0309
148	T	A	-1.5460
149	G	A	-0.4820
150	L	A	-0.0425
151	D	A	-1.4536
152	A	A	-0.9516
153	T	A	-0.7899
154	H	A	-1.4454
155	A	A	-1.9832
156	E	A	-3.2782
157	R	A	-2.1106
158	A	A	-1.1830
159	I	A	0.0000
160	P	A	-0.7716
161	V	A	-1.1111
162	S	A	-1.6268
163	R	A	-2.9805
164	E	A	-2.6150
165	E	A	-2.7449
166	K	A	-2.6607