Project name: 87ffcaf0eba23bf

Chain sequence(s)	H: VQLVESGGGLVQPGGSLRLSCAASGFNFSYYSIHWVRQAPGKGLEWVAYISSSSSYTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARGYQYWQYHASWYWNGGLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; L: MTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSSSLITFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
Selected Chain(s)	H,L
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 all 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                                          (00:06:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:20)

• Minimal score value: -3.8019
• Maximal score value: 1.8474
• Average score: -0.6153
• Total score value: -268.2576

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
2	V	H	1.1112
3	Q	H	-0.0074
4	L	H	0.0000
5	V	H	0.2584
6	E	H	-0.0418
7	S	H	-0.4293
8	G	H	-0.8783
9	G	H	0.0332
10	G	H	0.8729
11	L	H	1.5136
12	V	H	0.2578
13	Q	H	-1.1632
14	P	H	-1.3607
15	G	H	-1.4385
16	G	H	-1.1575
17	S	H	-1.2449
18	L	H	-1.1723
19	R	H	-2.2019
20	L	H	0.0000
21	S	H	-0.5299
22	C	H	0.0000
23	A	H	-0.3148
24	A	H	0.0000
25	S	H	-0.4092
26	G	H	-0.1643
27	F	H	0.0406
28	N	H	-0.4143
29	F	H	0.0000
30	S	H	0.2217
31	Y	H	1.3383
32	Y	H	1.0113
33	S	H	0.0000
34	I	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.7542
40	A	H	-1.2864
41	P	H	-0.8440
42	G	H	-1.4990
43	K	H	-2.4081
44	G	H	-1.6907
45	L	H	0.0000
46	E	H	-1.2911
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	Y	H	0.0000
51	I	H	0.0000
52	S	H	0.0000
52a	S	H	-0.0392
53	S	H	-0.3823
54	S	H	-0.4009
55	S	H	-0.2672
56	Y	H	-0.0308
57	T	H	-0.0624
58	S	H	-0.3045
59	Y	H	-0.8716
60	A	H	-1.3985
61	D	H	-2.4291
62	S	H	-1.6679
63	V	H	0.0000
64	K	H	-2.7147
65	G	H	-1.9188
66	R	H	-1.6797
67	F	H	0.0000
68	T	H	-1.0325
69	I	H	0.0000
70	S	H	-0.3610
71	A	H	-0.5560
72	D	H	-1.0107
73	T	H	-1.0229
74	S	H	-1.2662
75	K	H	-2.0734
76	N	H	-1.5006
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.4839
80	L	H	0.0000
81	Q	H	-1.5434
82	M	H	0.0000
82a	N	H	-1.9619
82b	S	H	-1.4979
82c	L	H	0.0000
83	R	H	-2.7902
84	A	H	-1.9307
85	E	H	-2.3509
86	D	H	0.0000
87	T	H	-0.3717
88	A	H	0.0000
89	V	H	0.5623
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	0.1199
95	G	H	0.0000
96	Y	H	1.0363
97	Q	H	0.8155
98	Y	H	0.9108
99	W	H	0.0000
100	Q	H	0.1917
100a	Y	H	0.7704
100b	H	H	0.1510
100c	A	H	0.3937
100d	S	H	0.9490
100e	W	H	1.7936
100f	Y	H	1.8474
100g	W	H	1.0075
100h	N	H	0.0000
100i	G	H	0.1296
100j	G	H	0.0660
100k	L	H	0.0000
101	D	H	-0.1850
102	Y	H	0.3536
103	W	H	0.0000
104	G	H	0.0000
105	Q	H	-1.2880
106	G	H	0.0000
107	T	H	0.4051
108	L	H	1.4881
109	V	H	0.0000
110	T	H	0.3999
111	V	H	-0.4638
112	S	H	-0.2614
113	S	H	-0.3895
114	A	H	-0.5481
115	S	H	-0.5638
116	T	H	-0.9785
117	K	H	-1.5701
118	G	H	-1.6140
119	P	H	-0.8848
120	S	H	-0.4957
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-1.0063
124	L	H	0.0000
125	A	H	-1.1828
126	P	H	0.0000
127	S	H	-1.3528
128	S	H	-1.5973
129	K	H	-1.9900
130	S	H	-1.2137
131	T	H	-0.9976
132	S	H	-1.3419
133	G	H	-1.1905
134	G	H	-0.8927
135	T	H	-0.5566
136	A	H	0.0000
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	-0.6741
144	D	H	-1.1311
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-1.3164
148	E	H	-1.6602
149	P	H	-1.3716
150	V	H	-0.6902
151	T	H	-0.5894
152	V	H	-0.2670
153	S	H	-0.2768
154	W	H	0.0000
155	N	H	-0.6419
156	S	H	-0.4972
157	G	H	-0.5550
158	A	H	-0.2221
159	L	H	-0.0253
160	T	H	-0.1145
161	S	H	-0.1996
162	G	H	-0.3573
163	V	H	0.1945
164	H	H	-0.3342
165	T	H	0.0013
166	F	H	0.0000
167	P	H	-0.2404
168	A	H	0.1544
169	V	H	0.4684
170	L	H	1.0721
171	Q	H	0.0728
172	S	H	-0.0758
173	S	H	-0.3574
174	G	H	-0.1894
175	L	H	0.0000
176	Y	H	-0.0942
177	S	H	-0.0752
178	L	H	0.2691
179	S	H	0.0092
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.1377
184	V	H	0.0000
185	P	H	-0.6263
186	S	H	-0.7348
187	S	H	-0.6857
188	S	H	-0.9798
189	L	H	-0.8413
190	G	H	-0.9810
191	T	H	-1.1603
192	Q	H	-1.5835
193	T	H	-1.5648
194	Y	H	0.0000
195	I	H	-1.1067
196	C	H	0.0000
197	N	H	-1.0576
198	V	H	0.0000
199	N	H	-1.8915
200	H	H	0.0000
201	K	H	-2.7453
202	P	H	-1.8766
203	S	H	-1.9378
204	N	H	-2.6554
205	T	H	-2.1056
206	K	H	-2.3207
207	V	H	-0.7883
208	D	H	-1.2381
209	K	H	-1.4426
210	K	H	-2.3372
211	V	H	0.0000
212	E	H	-2.8243
213	P	H	-1.9348
214	K	H	-2.2300
4	M	L	-0.8216
5	T	L	-0.9378
6	Q	L	0.0000
7	S	L	-0.8051
8	P	L	-0.5226
9	S	L	-0.9736
10	S	L	-0.9549
11	L	L	-0.5971
12	S	L	-0.8685
13	A	L	0.0000
14	S	L	-0.5910
15	V	L	0.2302
16	G	L	-1.1216
17	D	L	-2.4990
18	R	L	-2.7021
19	V	L	0.0000
20	T	L	-0.6277
21	I	L	0.0000
22	T	L	-0.7948
23	C	L	0.0000
24	R	L	-1.9913
25	A	L	-1.3022
26	S	L	-1.2993
27	Q	L	-1.5051
28	S	L	-0.6922
29	V	L	-0.0578
30	S	L	-0.0224
31	S	L	0.8042
32	A	L	0.0000
33	V	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.6565
40	P	L	-1.2024
41	G	L	-1.6672
42	K	L	-2.5219
43	A	L	-1.5726
44	P	L	0.0000
45	K	L	-1.3138
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.5452
50	S	L	0.7440
51	A	L	0.0000
52	S	L	-0.1596
53	S	L	0.2664
54	L	L	0.6499
55	Y	L	0.4901
56	S	L	0.0168
57	G	L	-0.2628
58	V	L	0.1007
59	P	L	-0.1980
60	S	L	-0.2913
61	R	L	-0.7318
62	F	L	0.0000
63	S	L	-0.2779
64	G	L	-0.4671
65	S	L	-1.1775
66	R	L	-2.0262
67	S	L	-1.3581
68	G	L	-1.1357
69	T	L	-1.3402
70	D	L	-1.5646
71	F	L	0.0000
72	T	L	-0.8501
73	L	L	0.0000
74	T	L	-0.5893
75	I	L	0.0000
76	S	L	-1.4622
77	S	L	-1.4244
78	L	L	0.0000
79	Q	L	-1.1342
80	P	L	-0.9191
81	E	L	-1.9013
82	D	L	0.0000
83	F	L	-0.5907
84	A	L	0.0000
85	T	L	0.0000
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	S	L	0.0000
92	S	L	-0.1727
93	S	L	-0.0448
94	S	L	0.0572
95	L	L	0.0497
96	I	L	0.0000
97	T	L	-0.1224
98	F	L	-0.3411
99	G	L	0.0000
100	Q	L	-1.7799
101	G	L	-1.3491
102	T	L	0.0000
103	K	L	-1.9943
104	V	L	0.0000
105	E	L	-0.8901
106	I	L	-0.2007
107	K	L	-1.1220
108	R	L	-0.9790
109	T	L	0.1236
110	V	L	0.8692
111	A	L	0.2510
112	A	L	-0.0771
113	P	L	0.0000
114	S	L	-0.2296
115	V	L	0.0000
116	F	L	0.0000
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-0.7878
120	P	L	-0.7089
121	S	L	0.0000
122	D	L	-2.1252
123	S	L	-1.4800
124	Q	L	0.0000
125	L	L	-1.4381
126	K	L	-2.1607
127	S	L	-1.3386
128	G	L	-0.9126
129	T	L	-0.7236
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-1.3822
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.8813
142	R	L	-3.1935
143	E	L	-3.2837
144	A	L	-2.3978
145	K	L	-2.4484
146	V	L	-1.0405
147	Q	L	-0.5939
148	W	L	0.0000
149	K	L	-0.5376
150	V	L	0.0000
151	D	L	-1.6440
152	N	L	-1.3454
153	A	L	-0.3019
154	L	L	0.7332
155	Q	L	-0.2940
156	S	L	-0.6658
157	G	L	-1.1920
158	N	L	-1.3277
159	S	L	-1.4334
160	Q	L	-1.6700
161	E	L	-1.4958
162	S	L	-0.7749
163	V	L	-0.7635
164	T	L	-1.2797
165	E	L	-2.5672
166	Q	L	-2.7730
167	D	L	-2.6405
168	S	L	-2.2048
169	K	L	-2.9357
170	D	L	-3.1465
171	S	L	-2.5587
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	-0.4188
177	S	L	0.0000
178	T	L	-0.7412
179	L	L	0.0000
180	T	L	-0.4690
181	L	L	-0.7985
182	S	L	-1.1030
183	K	L	-2.0261
184	A	L	-1.9772
185	D	L	-2.8391
186	Y	L	0.0000
187	E	L	-3.8019
188	K	L	-3.7247
189	H	L	-3.1922
190	K	L	-3.3500
191	V	L	-2.0798
192	Y	L	0.0000
193	A	L	-0.6942
194	C	L	0.0000
195	E	L	-0.8067
196	V	L	0.0000
197	T	L	-1.1114
198	H	L	0.0000
199	Q	L	-1.5738
200	G	L	-0.4293
201	L	L	-0.3294
202	S	L	-0.4365
203	S	L	-0.3776
204	P	L	-0.4527
205	V	L	0.1571
206	T	L	-0.3652
207	K	L	-0.5917
208	S	L	-0.8187
209	F	L	-1.1552
210	N	L	-2.4361
211	R	L	-3.3702