Project name: 004

Chain sequence(s)	C: DIQMTQSPSSLSASVGDRVTITCKASGLPPGQGYEIAWYQQKPGKAPKVLIYGGTLPPGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCAVKNLFGKLNFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: EVQLVESGGGLVQPGGSLRLSCAASGSPEEIYRYYMHWVRQAPGKGLEWVGLIFGGSGQGVTIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARARGGGFLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT
Selected Chain(s)	C,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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:49)

• Minimal score value: -3.5737
• Maximal score value: 2.2039
• Average score: -0.6941
• Total score value: -310.2801

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	D	C	-2.0799
2	I	C	-1.2763
3	Q	C	-1.8435
4	M	C	0.0000
5	T	C	-0.9473
6	Q	C	0.0000
7	S	C	-0.4641
8	P	C	-0.4825
9	S	C	-0.8256
10	S	C	-0.8031
11	L	C	-0.6202
12	S	C	-1.1047
13	A	C	-1.1237
14	S	C	-0.9974
15	V	C	-0.0533
16	G	C	-0.7772
17	D	C	-1.8633
18	R	C	-2.2856
19	V	C	0.0000
20	T	C	-0.6225
21	I	C	0.0000
22	T	C	-0.5917
23	C	C	0.0000
24	K	C	-1.5298
25	A	C	0.0000
26	S	C	-1.2625
27	G	C	-1.2008
28	L	C	-0.6676
29	P	C	-0.6067
30	P	C	-0.6469
31	G	C	-0.6082
32	Q	C	-0.1087
33	G	C	-0.1665
34	Y	C	-0.0675
35	E	C	-0.5871
36	I	C	-0.4123
37	A	C	0.0000
38	W	C	0.0000
39	Y	C	0.0000
40	Q	C	0.0000
41	Q	C	0.0000
42	K	C	-1.7094
43	P	C	-1.4676
44	G	C	-1.7570
45	K	C	-2.4348
46	A	C	-1.4915
47	P	C	0.0000
48	K	C	-1.1650
49	V	C	-0.1493
50	L	C	0.0000
51	I	C	0.0000
52	Y	C	0.0553
53	G	C	-0.4787
54	G	C	-0.6088
55	T	C	-0.0680
56	L	C	0.3057
57	P	C	0.0147
58	P	C	-0.3126
59	G	C	-0.4578
60	V	C	-0.1874
61	P	C	-0.3285
62	S	C	-0.3801
63	R	C	-0.7889
64	F	C	0.0000
65	S	C	-0.3639
66	G	C	-0.4515
67	S	C	-0.8636
68	G	C	-1.3739
69	S	C	-1.1766
70	G	C	-1.1386
71	T	C	-1.2409
72	D	C	-1.8085
73	Y	C	0.0000
74	T	C	-0.6506
75	L	C	0.0000
76	T	C	-0.6152
77	I	C	0.0000
78	S	C	-1.3400
79	S	C	-1.1668
80	L	C	0.0000
81	Q	C	-0.8291
82	P	C	-1.5613
83	E	C	-1.8661
84	D	C	0.0000
85	F	C	0.0000
86	A	C	0.0000
87	T	C	-0.8967
88	Y	C	0.0000
89	Y	C	0.0000
90	C	C	0.0000
91	A	C	0.0000
92	V	C	0.0000
93	K	C	0.1714
94	N	C	0.0000
95	L	C	1.8147
96	F	C	2.2039
97	G	C	0.0000
98	K	C	0.4285
99	L	C	0.0000
100	N	C	-0.4984
101	F	C	-0.3774
102	G	C	0.0000
103	Q	C	-1.6432
104	G	C	0.0000
105	T	C	0.0000
106	K	C	-1.6593
107	V	C	0.0000
108	E	C	-1.3149
109	I	C	0.0000
110	K	C	-1.7869
111	R	C	-1.0767
112	T	C	-0.2123
113	V	C	0.2851
114	A	C	-0.0134
115	A	C	-0.1052
116	P	C	0.0000
117	S	C	-0.2060
118	V	C	0.0000
119	F	C	0.0000
120	I	C	0.0000
121	F	C	0.0000
122	P	C	-0.5369
123	P	C	0.0000
124	S	C	-1.8454
125	D	C	-3.1397
126	E	C	-3.0391
127	Q	C	0.0000
128	L	C	-2.3310
129	K	C	-2.8878
130	S	C	-1.8013
131	G	C	-1.2797
132	T	C	-1.0048
133	A	C	0.0000
134	S	C	0.0000
135	V	C	0.0000
136	V	C	0.0000
137	C	C	0.0000
138	L	C	0.0000
139	L	C	0.0000
140	N	C	0.0000
141	N	C	-0.8016
142	F	C	0.0000
143	Y	C	0.0000
144	P	C	-1.6994
145	R	C	-2.7447
146	E	C	-3.1007
147	A	C	-2.2668
148	K	C	-2.4379
149	V	C	-1.1441
150	Q	C	-0.7087
151	W	C	0.0000
152	K	C	-0.5290
153	V	C	0.0000
154	D	C	-1.8934
155	N	C	-1.5022
156	A	C	-0.2562
157	L	C	0.6447
158	Q	C	-0.1421
159	S	C	-0.4222
160	G	C	-0.8835
161	N	C	-0.7966
162	S	C	-1.1415
163	Q	C	-1.4189
164	E	C	-1.9968
165	S	C	-1.0903
166	V	C	-0.8963
167	T	C	0.0000
168	E	C	-2.2041
169	Q	C	0.0000
170	D	C	-2.0423
171	S	C	-2.1892
172	K	C	-2.4714
173	D	C	-1.6610
174	S	C	0.0000
175	T	C	0.0000
176	Y	C	0.0000
177	S	C	0.0000
178	L	C	0.0000
179	S	C	0.0000
180	S	C	0.0000
181	T	C	-0.6732
182	L	C	0.0000
183	T	C	-0.4017
184	L	C	-0.5865
185	S	C	-0.9707
186	K	C	-2.0096
187	A	C	-1.7835
188	D	C	-2.3189
189	Y	C	0.0000
190	E	C	-3.4768
191	K	C	-3.5737
192	H	C	-2.9893
193	K	C	-3.2489
194	V	C	-1.4251
195	Y	C	0.0000
196	A	C	0.0000
197	C	C	0.0000
198	E	C	-0.6729
199	V	C	0.0000
200	T	C	-1.2356
201	H	C	0.0000
202	Q	C	-1.7337
203	G	C	-0.4387
204	L	C	-0.2431
205	S	C	-0.4596
206	S	C	-0.4212
207	P	C	-0.5782
208	V	C	0.0991
209	T	C	-0.3709
210	K	C	-0.7535
211	S	C	-0.6430
212	F	C	0.0000
213	N	C	-1.7728
214	R	C	-2.3916
215	G	C	-1.8801
216	E	C	-2.2741
217	C	C	-1.2308
1	E	D	-2.1952
2	V	D	-1.5240
3	Q	D	-1.5444
4	L	D	0.0000
5	V	D	0.3906
6	E	D	0.0000
7	S	D	-0.5115
8	G	D	-0.9206
9	G	D	-0.4778
10	G	D	-0.2631
11	L	D	0.0198
12	V	D	-0.5960
13	Q	D	-1.5521
14	P	D	-1.6591
15	G	D	-1.4448
16	G	D	-1.1829
17	S	D	-1.3474
18	L	D	-1.2111
19	R	D	-2.1459
20	L	D	0.0000
21	S	D	-0.5079
22	C	D	0.0000
23	A	D	-0.3081
24	A	D	0.0000
25	S	D	-1.1764
26	G	D	-1.6166
27	S	D	-1.1633
28	P	D	-1.2553
29	E	D	-1.9491
30	E	D	0.0000
31	I	D	0.0000
32	Y	D	-0.3895
33	R	D	-1.1434
34	Y	D	-0.8244
35	Y	D	0.1495
36	M	D	0.0000
37	H	D	0.0000
38	W	D	0.0000
39	V	D	0.0000
40	R	D	0.0000
41	Q	D	-0.7097
42	A	D	-1.1543
43	P	D	-1.1401
44	G	D	-1.4473
45	K	D	-2.3095
46	G	D	-1.5010
47	L	D	0.0000
48	E	D	-0.8246
49	W	D	0.0000
50	V	D	0.0000
51	G	D	0.0000
52	L	D	0.0000
53	I	D	0.0000
54	F	D	1.0660
55	G	D	0.1356
56	G	D	0.0000
57	S	D	-0.6242
58	G	D	-1.0031
59	Q	D	-1.0077
60	G	D	0.1254
61	V	D	1.5274
62	T	D	1.1385
63	I	D	0.8034
64	Y	D	-0.8314
65	D	D	-1.4164
66	P	D	-2.0669
67	K	D	-2.5776
68	F	D	0.0000
69	Q	D	-2.6714
70	D	D	-2.9734
71	R	D	-2.1035
72	A	D	0.0000
73	T	D	-0.9725
74	I	D	0.0000
75	S	D	-0.1271
76	A	D	-0.6452
77	D	D	-1.4641
78	N	D	-1.6004
79	S	D	-1.6902
80	K	D	-2.3573
81	N	D	-1.6709
82	T	D	0.0000
83	A	D	0.0000
84	Y	D	0.0000
85	L	D	0.0000
86	Q	D	-1.2815
87	M	D	0.0000
88	N	D	-1.6842
89	S	D	-1.4896
90	L	D	0.0000
91	R	D	-2.4284
92	A	D	-1.7434
93	E	D	-2.2850
94	D	D	0.0000
95	T	D	-0.7265
96	A	D	0.0000
97	V	D	0.2690
98	Y	D	0.0000
99	Y	D	0.0000
100	C	D	0.0000
101	A	D	0.0000
102	R	D	0.0000
103	A	D	0.0000
104	R	D	-2.1403
105	G	D	-1.0129
106	G	D	0.0000
107	G	D	-0.3793
108	F	D	-0.2292
109	L	D	0.0000
110	D	D	-0.6583
111	Y	D	-0.5485
112	W	D	-0.5066
113	G	D	0.0000
114	Q	D	-1.4730
115	G	D	-0.5898
116	T	D	-0.0700
117	L	D	0.2018
118	V	D	0.0000
119	T	D	0.0000
120	V	D	0.0000
121	S	D	-0.9276
122	S	D	-0.6440
123	A	D	-0.4308
124	S	D	-0.5349
125	T	D	-0.5930
126	K	D	-1.1575
127	G	D	-1.2928
128	P	D	0.0000
129	S	D	-0.4095
130	V	D	0.0000
131	F	D	0.0000
132	P	D	-1.3251
133	L	D	0.0000
134	A	D	-1.2506
135	P	D	0.0000
136	S	D	-0.9210
137	S	D	-0.7323
138	K	D	-1.0130
139	S	D	0.0000
140	T	D	-0.6838
141	S	D	-0.6933
142	G	D	-0.7975
143	G	D	-0.8664
144	T	D	-0.6066
145	A	D	0.0000
146	A	D	0.0000
147	L	D	0.0000
148	G	D	0.0000
149	C	D	0.0000
150	L	D	0.0000
151	V	D	0.0000
152	K	D	0.0000
153	D	D	-0.3075
154	Y	D	0.0000
155	F	D	0.0000
156	P	D	0.0000
157	E	D	-0.3944
158	P	D	-0.6388
159	V	D	-0.6381
160	T	D	-0.5710
161	V	D	-0.1811
162	S	D	-0.3744
163	W	D	0.0000
164	N	D	-0.7442
165	S	D	-0.6411
166	G	D	-0.4639
167	A	D	-0.2086
168	L	D	0.0303
169	T	D	-0.1543
170	S	D	-0.1798
171	G	D	-0.2133
172	V	D	0.1667
173	H	D	-0.3194
174	T	D	0.0105
175	F	D	0.0000
176	P	D	-0.3815
177	A	D	0.1881
178	V	D	0.4488
179	L	D	1.2014
180	Q	D	0.3062
181	S	D	-0.0834
182	S	D	-0.1858
183	G	D	0.0783
184	L	D	0.1775
185	Y	D	0.4998
186	S	D	0.0000
187	L	D	0.0000
188	S	D	0.0000
189	S	D	0.0000
190	V	D	0.0000
191	V	D	0.0000
192	T	D	-0.1364
193	V	D	0.0000
194	P	D	-0.6033
195	S	D	-0.5656
196	S	D	-0.5688
197	S	D	-0.5403
198	L	D	-0.7406
199	G	D	-0.9204
200	T	D	-0.6539
201	Q	D	-1.1012
202	T	D	-1.0775
203	Y	D	0.0000
204	I	D	-1.3023
205	C	D	0.0000
206	N	D	-1.4635
207	V	D	0.0000
208	N	D	-1.9368
209	H	D	0.0000
210	K	D	-2.7202
211	P	D	-1.5434
212	S	D	-1.8174
213	N	D	-2.5694
214	T	D	-2.0523
215	K	D	-2.7031
216	V	D	-1.6037
217	D	D	-2.5300
218	K	D	-2.1720
219	K	D	-2.5442
220	V	D	0.0000
221	E	D	-2.8747
222	P	D	-1.8457
223	K	D	-2.5482
224	S	D	-1.8121
225	C	D	-1.7368
226	D	D	-2.9891
227	K	D	-2.7927
228	T	D	-1.9188
229	H	D	-1.8923
230	T	D	-0.8414