Project name: AS-1 scfv

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTISDYWIHWVRQAPGKGLEWVAGITPAGGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFVFFLPYAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGYGNPFTFGQGTKVEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)

• Minimal score value: -2.9776
• Maximal score value: 3.8232
• Average score: -0.5311
• Total score value: -131.1874

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	-2.0997
2	V	A	-1.2033
3	Q	A	-1.1703
4	L	A	0.0000
5	V	A	0.6554
6	E	A	0.0000
7	S	A	-0.3477
8	G	A	-0.7121
9	G	A	0.1229
10	G	A	0.6756
11	L	A	1.3441
12	V	A	-0.1352
13	Q	A	-1.6263
14	P	A	-1.6812
15	G	A	-1.5057
16	G	A	-0.9183
17	S	A	-1.2174
18	L	A	-0.8816
19	R	A	-2.1415
20	L	A	0.0000
21	S	A	-0.4364
22	C	A	0.0000
23	A	A	-0.1794
24	A	A	0.0000
25	S	A	-1.0085
26	G	A	-1.2323
27	F	A	-0.7208
28	T	A	-0.8365
29	I	A	0.0000
30	S	A	-1.0363
31	D	A	-1.4345
32	Y	A	-0.1043
33	W	A	0.4174
34	I	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.5970
40	A	A	-1.0221
41	P	A	-0.9919
42	G	A	-1.4492
43	K	A	-2.3339
44	G	A	-1.5531
45	L	A	0.0000
46	E	A	-1.0250
47	W	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	T	A	0.0366
53	P	A	-0.4525
54	A	A	-0.4685
55	G	A	-0.3005
56	G	A	-0.0059
57	Y	A	1.1239
58	T	A	0.8113
59	Y	A	0.3763
60	Y	A	-0.6580
61	A	A	-1.5716
62	D	A	-2.6476
63	S	A	-1.7746
64	V	A	0.0000
65	K	A	-2.5190
66	G	A	-1.7348
67	R	A	-1.4662
68	F	A	0.0000
69	T	A	-0.7577
70	I	A	0.0000
71	S	A	-0.1955
72	A	A	-0.6997
73	D	A	-1.3010
74	T	A	-1.3080
75	S	A	-1.3298
76	K	A	-2.1509
77	N	A	-1.3860
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.5866
81	L	A	0.0000
82	Q	A	-1.2638
83	M	A	0.0000
84	N	A	-1.4126
85	S	A	-1.2187
86	L	A	0.0000
87	R	A	-2.4869
88	A	A	-1.8195
89	E	A	-2.3049
90	D	A	0.0000
91	T	A	-0.3855
92	A	A	0.0000
93	V	A	0.8356
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	F	A	0.0000
100	V	A	2.1101
101	F	A	3.3608
102	F	A	3.8232
103	L	A	3.1380
104	P	A	2.4945
105	Y	A	2.5807
106	A	A	0.0000
107	M	A	0.0000
108	D	A	0.0000
109	Y	A	-0.0153
110	W	A	-0.3586
111	G	A	0.0000
112	Q	A	-1.3606
113	G	A	-0.2868
114	T	A	0.5648
115	L	A	1.7552
116	V	A	0.0000
117	T	A	0.3603
118	V	A	0.0000
119	S	A	-0.6927
120	S	A	-1.0055
121	G	A	-1.0491
122	G	A	-1.2389
123	G	A	-1.2815
124	G	A	-1.2316
125	S	A	-0.8785
126	G	A	-1.0777
127	G	A	-1.1839
128	G	A	-1.1445
129	G	A	-1.2112
130	S	A	-1.0000
131	G	A	-1.1434
132	G	A	-1.1639
133	G	A	-1.1677
134	G	A	-1.1710
135	S	A	-1.0295
136	G	A	-1.3885
137	G	A	-1.1839
138	G	A	-1.4035
139	G	A	-1.4770
140	S	A	-1.7813
141	D	A	-2.8782
142	I	A	-1.9456
143	Q	A	-2.2420
144	M	A	0.0000
145	T	A	-1.3787
146	Q	A	0.0000
147	S	A	-0.7157
148	P	A	-0.5943
149	S	A	-0.8171
150	S	A	-0.9116
151	L	A	-0.6610
152	S	A	-1.0018
153	A	A	-0.9776
154	S	A	-0.7092
155	V	A	0.3086
156	G	A	-0.8476
157	D	A	-1.8431
158	R	A	-2.4339
159	V	A	0.0000
160	T	A	-0.6332
161	I	A	0.0000
162	T	A	-0.8166
163	C	A	0.0000
164	R	A	-2.9776
165	A	A	0.0000
166	S	A	-2.3399
167	Q	A	-2.8162
168	D	A	-2.6585
169	V	A	0.0000
170	S	A	-0.8089
171	T	A	-0.3534
172	A	A	0.0000
173	V	A	0.0000
174	A	A	0.0000
175	W	A	0.0000
176	Y	A	0.0000
177	Q	A	0.0000
178	Q	A	0.0000
179	K	A	-1.7018
180	P	A	-1.1888
181	G	A	-1.7087
182	K	A	-2.6323
183	A	A	-1.6385
184	P	A	0.0000
185	K	A	-1.4318
186	L	A	0.0000
187	L	A	0.0000
188	I	A	0.0000
189	Y	A	1.2754
190	S	A	0.8144
191	A	A	0.0000
192	S	A	0.7966
193	F	A	2.1776
194	L	A	1.4458
195	Y	A	0.7108
196	S	A	0.0901
197	G	A	-0.3796
198	V	A	0.1670
199	P	A	-0.2501
200	S	A	-0.3850
201	R	A	-0.7962
202	F	A	0.0000
203	S	A	0.0964
204	G	A	0.0000
205	S	A	-0.3187
206	G	A	-1.0169
207	S	A	-1.2463
208	G	A	-1.8019
209	T	A	-2.3064
210	D	A	-2.3962
211	F	A	0.0000
212	T	A	-0.7172
213	L	A	0.0000
214	T	A	-0.5989
215	I	A	0.0000
216	S	A	-1.5327
217	S	A	-1.2738
218	L	A	0.0000
219	Q	A	-0.6392
220	P	A	-0.8156
221	E	A	-1.2791
222	D	A	0.0000
223	F	A	-0.3464
224	A	A	0.0000
225	T	A	-0.8143
226	Y	A	0.0000
227	Y	A	0.0000
228	C	A	0.0000
229	Q	A	0.0000
230	Q	A	0.0000
231	G	A	0.0000
232	Y	A	0.7274
233	G	A	-0.2951
234	N	A	-1.1354
235	P	A	-1.0563
236	F	A	-0.4262
237	T	A	-0.7729
238	F	A	0.0000
239	G	A	0.0000
240	Q	A	-1.5618
241	G	A	0.0000
242	T	A	0.0000
243	K	A	-1.4784
244	V	A	0.0000
245	E	A	-1.2488
246	I	A	-0.6418
247	K	A	-1.4555