Project name: 5DK3 A

Chain sequence(s)	A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.3653
• Maximal score value: 2.0315
• Average score: -0.7094
• Total score value: -154.6468

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	E	A	-1.2956
2	I	A	0.0000
3	V	A	1.0838
4	L	A	0.0000
5	T	A	-0.2850
6	Q	A	-0.3311
7	S	A	-0.7025
8	P	A	-0.4128
9	A	A	-0.5119
10	T	A	-0.6469
11	L	A	-0.4482
12	S	A	-0.6867
13	L	A	-1.1221
14	S	A	-1.5303
15	P	A	-1.8438
16	G	A	-1.8452
17	E	A	-2.5348
18	R	A	-2.8120
19	A	A	0.0000
20	T	A	-0.6582
21	L	A	0.0000
22	S	A	-0.7873
23	C	A	0.0000
24	R	A	-2.0348
25	A	A	0.0000
26	S	A	-1.1314
27	K	A	-2.4084
28	G	A	-1.6573
29	V	A	0.0000
30	S	A	-0.4880
31	T	A	-0.2545
32	S	A	-0.2387
33	G	A	-0.2038
34	Y	A	0.3964
35	S	A	0.0000
36	Y	A	0.0643
37	L	A	0.0000
38	H	A	0.7650
39	W	A	0.0000
40	Y	A	0.1786
41	Q	A	0.0000
42	Q	A	-1.2381
43	K	A	-1.8025
44	P	A	-1.5114
45	G	A	-1.4756
46	Q	A	-1.8289
47	A	A	-1.0524
48	P	A	-0.9649
49	R	A	-1.0273
50	L	A	0.0009
51	L	A	0.0000
52	I	A	0.0000
53	Y	A	1.0712
54	L	A	0.9339
55	A	A	0.0000
56	S	A	0.3530
57	Y	A	1.0262
58	L	A	0.7965
59	E	A	-0.1867
60	S	A	-0.4217
61	G	A	-0.5901
62	V	A	0.0000
63	P	A	-0.3044
64	A	A	-0.2554
65	R	A	-0.7834
66	F	A	0.0000
67	S	A	-0.1854
68	G	A	-0.0089
69	S	A	-0.6158
70	G	A	-1.1178
71	S	A	-0.9156
72	G	A	-1.1142
73	T	A	-1.8251
74	D	A	-2.3374
75	F	A	0.0000
76	T	A	-0.7859
77	L	A	0.0000
78	T	A	-0.6868
79	I	A	0.0000
80	S	A	-1.6917
81	S	A	-1.8497
82	L	A	0.0000
83	E	A	-2.1845
84	P	A	-2.2479
85	E	A	-2.4173
86	D	A	0.0000
87	F	A	-1.5498
88	A	A	0.0000
89	V	A	0.0000
90	Y	A	0.0000
91	Y	A	0.1722
92	C	A	0.0000
93	Q	A	0.0000
94	H	A	0.0000
95	S	A	0.0183
96	R	A	-1.3603
97	D	A	-1.1752
98	L	A	0.7512
99	P	A	0.6962
100	L	A	1.6524
101	T	A	1.3565
102	F	A	2.0315
103	G	A	0.0000
104	G	A	-0.0763
105	G	A	-0.4055
106	T	A	0.0000
107	K	A	-1.6474
108	V	A	0.0000
109	E	A	-1.4502
110	I	A	0.0000
111	K	A	-1.1943
112	R	A	-1.0055
113	T	A	-0.1187
114	V	A	0.1882
115	A	A	-0.2213
116	A	A	-0.2421
117	P	A	0.0000
118	S	A	0.0066
119	V	A	0.4607
120	F	A	1.4066
121	I	A	1.2350
122	F	A	1.5125
123	P	A	0.3173
124	P	A	-0.5794
125	S	A	-1.6980
126	D	A	-3.1893
127	E	A	-3.3602
128	Q	A	-2.4529
129	L	A	-2.5633
130	K	A	-3.0192
131	S	A	-1.9454
132	G	A	-1.3807
133	T	A	-1.0406
134	A	A	0.0000
135	S	A	0.0419
136	V	A	0.0000
137	V	A	0.7329
138	C	A	0.0000
139	L	A	0.5890
140	L	A	0.0000
141	N	A	-0.4476
142	N	A	-1.2056
143	F	A	0.0000
144	Y	A	0.0000
145	P	A	-1.7417
146	R	A	-3.1153
147	E	A	-3.2462
148	A	A	-2.2593
149	K	A	-2.2586
150	V	A	-1.1321
151	Q	A	-0.7524
152	W	A	0.0000
153	K	A	-0.7124
154	V	A	0.0000
155	D	A	-1.5844
156	N	A	-1.3971
157	A	A	-0.2395
158	L	A	0.6882
159	Q	A	-0.1261
160	S	A	-0.4191
161	G	A	-0.9721
162	N	A	-0.9353
163	S	A	-1.4341
164	Q	A	-2.2899
165	E	A	-2.3452
166	S	A	-1.3254
167	V	A	-0.7891
168	T	A	-1.2431
169	E	A	-2.3532
170	Q	A	0.0000
171	D	A	-2.4071
172	S	A	-2.5091
173	K	A	-2.8168
174	D	A	-2.1263
175	S	A	0.0000
176	T	A	0.0000
177	Y	A	-1.5341
178	S	A	-0.8987
179	L	A	0.0000
180	S	A	-0.4559
181	S	A	0.0000
182	T	A	-0.6194
183	L	A	0.0000
184	T	A	-0.4016
185	L	A	-0.7190
186	S	A	-1.1292
187	K	A	-2.1437
188	A	A	-1.8998
189	D	A	-2.6342
190	Y	A	0.0000
191	E	A	-3.1168
192	K	A	-3.3653
193	H	A	-2.5426
194	K	A	-2.2753
195	V	A	-0.8125
196	Y	A	0.0000
197	A	A	0.0000
198	C	A	0.0000
199	E	A	-0.9014
200	V	A	0.0000
201	T	A	-1.1709
202	H	A	0.0000
203	Q	A	-1.6188
204	G	A	-0.4652
205	L	A	-0.2472
206	S	A	-0.4802
207	S	A	-0.4061
208	P	A	-0.4844
209	V	A	-0.0264
210	T	A	-0.4169
211	K	A	-0.3789
212	S	A	-0.2905
213	F	A	-0.4288
214	N	A	-1.3225
215	R	A	-1.8323
216	G	A	-1.6359
217	E	A	-2.0082
218	C	A	-0.3533