Project name: 188

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGTIAGKPIGDYMHWVRQAPGKGLEWVGLIKETIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARFFVRDGKPVAIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT; L: DIQMTQSPSSLSASVGDRVTITCSTAQPPSGWTMSWYQQKPGKAPKVLIYGPFRKPPGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCALIKPYATFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:09:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:05)

• Minimal score value: -3.3611
• Maximal score value: 1.135
• Average score: -0.7368
• Total score value: -324.9229

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	H	-2.0164
2	V	H	-1.0872
3	Q	H	-1.0625
4	L	H	0.0000
5	V	H	1.0680
6	E	H	0.0000
7	S	H	-0.3527
8	G	H	-0.8643
9	G	H	-0.5195
10	G	H	-0.3569
11	L	H	-0.1340
12	V	H	0.0000
13	Q	H	-1.7402
14	P	H	-1.9346
15	G	H	-1.5884
16	G	H	-1.2779
17	S	H	-1.4329
18	L	H	-1.2435
19	R	H	-2.1359
20	L	H	0.0000
21	S	H	-0.4136
22	C	H	0.0000
23	A	H	-0.0869
24	A	H	-0.3771
25	S	H	-0.8335
26	G	H	-1.2016
27	T	H	-1.0289
28	I	H	-0.5893
29	A	H	-0.7101
30	G	H	-1.2915
31	K	H	-2.1307
32	P	H	-1.6623
33	I	H	0.0000
34	G	H	0.0000
35	D	H	-1.3840
36	Y	H	-0.2413
37	M	H	0.0000
38	H	H	0.0000
39	W	H	0.0000
40	V	H	0.0000
41	R	H	0.0000
42	Q	H	-0.6911
43	A	H	-1.1466
44	P	H	-1.0318
45	G	H	-1.4816
46	K	H	-2.3444
47	G	H	-1.6011
48	L	H	0.0000
49	E	H	-0.8160
50	W	H	0.0000
51	V	H	0.0000
52	G	H	0.0000
53	L	H	0.0000
54	I	H	-0.8869
55	K	H	-2.3909
56	E	H	-2.4966
57	T	H	-1.3777
58	I	H	-0.6692
59	Y	H	-0.9877
60	D	H	-1.5578
61	P	H	-2.1558
62	K	H	-2.5919
63	F	H	0.0000
64	Q	H	-2.7030
65	D	H	-2.9473
66	R	H	-2.0719
67	A	H	0.0000
68	T	H	-0.9682
69	I	H	0.0000
70	S	H	-0.5938
71	A	H	-1.0213
72	D	H	-1.6694
73	N	H	-2.0657
74	S	H	-1.6276
75	K	H	-2.3236
76	N	H	-1.8986
77	T	H	-0.9895
78	A	H	0.0000
79	Y	H	0.0000
80	L	H	0.0000
81	Q	H	-1.2593
82	M	H	0.0000
83	N	H	-1.7892
84	S	H	-1.5785
85	L	H	0.0000
86	R	H	-2.8066
87	A	H	-1.9576
88	E	H	-2.3887
89	D	H	0.0000
90	T	H	-0.8281
91	A	H	0.0000
92	V	H	0.1544
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	0.1265
98	F	H	0.0000
99	F	H	0.5351
100	V	H	0.3269
101	R	H	-2.0784
102	D	H	-2.6375
103	G	H	-1.6564
104	K	H	-1.6433
105	P	H	-0.4023
106	V	H	0.0523
107	A	H	0.0000
108	I	H	-0.0108
109	W	H	-0.1706
110	G	H	0.0000
111	Q	H	-1.2598
112	G	H	0.0000
113	T	H	-0.0026
114	L	H	0.0543
115	V	H	0.0000
116	T	H	-0.5504
117	V	H	0.0000
118	S	H	-1.0593
119	S	H	-0.7195
120	A	H	-0.4730
121	S	H	-0.5783
122	T	H	-0.7598
123	K	H	-1.2380
124	G	H	-1.3612
125	P	H	0.0000
126	S	H	-0.4087
127	V	H	0.0000
128	F	H	0.0000
129	P	H	-1.0579
130	L	H	0.0000
131	A	H	-1.1559
132	P	H	0.0000
133	S	H	-0.9524
134	S	H	-0.6409
135	K	H	-1.1734
136	S	H	0.0000
137	T	H	-0.7456
138	S	H	-0.7921
139	G	H	-0.8387
140	G	H	-0.8936
141	T	H	-0.5988
142	A	H	0.0000
143	A	H	0.0000
144	L	H	0.0000
145	G	H	0.0000
146	C	H	0.0000
147	L	H	0.0000
148	V	H	0.0000
149	K	H	0.0000
150	D	H	-0.3891
151	Y	H	0.0000
152	F	H	0.0000
153	P	H	0.0000
154	E	H	-0.5452
155	P	H	-0.6811
156	V	H	-0.7632
157	T	H	-0.6855
158	V	H	-0.4713
159	S	H	-0.4468
160	W	H	0.0000
161	N	H	-0.8371
162	S	H	-0.6894
163	G	H	-0.5165
164	A	H	-0.2684
165	L	H	-0.0000
166	T	H	-0.1750
167	S	H	-0.1641
168	G	H	-0.1844
169	V	H	0.1480
170	H	H	-0.2000
171	T	H	-0.0845
172	F	H	0.0000
173	P	H	-0.0788
174	A	H	0.3267
175	V	H	0.6582
176	L	H	1.1350
177	Q	H	0.2792
178	S	H	-0.1015
179	S	H	-0.2181
180	G	H	0.0374
181	L	H	0.1235
182	Y	H	0.4655
183	S	H	0.0000
184	L	H	0.0000
185	S	H	0.0000
186	S	H	0.0000
187	V	H	0.0000
188	V	H	0.0000
189	T	H	-0.1173
190	V	H	0.0000
191	P	H	-0.5027
192	S	H	-0.5424
193	S	H	-0.5686
194	S	H	0.0000
195	L	H	-0.7158
196	G	H	-1.0701
197	T	H	-0.8583
198	Q	H	-1.4558
199	T	H	-1.2154
200	Y	H	0.0000
201	I	H	-1.1787
202	C	H	0.0000
203	N	H	-1.5089
204	V	H	0.0000
205	N	H	-2.1891
206	H	H	0.0000
207	K	H	-2.8099
208	P	H	-1.6280
209	S	H	-1.8262
210	N	H	-2.6170
211	T	H	-2.1261
212	K	H	-2.7934
213	V	H	-1.6331
214	D	H	-2.4214
215	K	H	-2.0977
216	K	H	-2.3594
217	V	H	0.0000
218	E	H	-2.6576
219	P	H	-1.7636
220	K	H	-2.4337
221	S	H	-1.7039
222	C	H	-1.4944
223	D	H	-2.7307
224	K	H	-2.7218
225	T	H	-1.9527
226	H	H	-1.8965
227	T	H	-0.9578
1	D	L	-2.0573
2	I	L	-1.3148
3	Q	L	-1.8713
4	M	L	0.0000
5	T	L	-0.8871
6	Q	L	0.0000
7	S	L	-0.6582
8	P	L	-0.6441
9	S	L	-0.8693
10	S	L	-0.7808
11	L	L	-0.5672
12	S	L	-0.8448
13	A	L	-1.1229
14	S	L	-1.0960
15	V	L	-0.4852
16	G	L	-1.0461
17	D	L	-2.1415
18	R	L	-2.4798
19	V	L	0.0000
20	T	L	-0.6618
21	I	L	0.0000
22	T	L	-0.5731
23	C	L	0.0000
24	S	L	-1.2111
25	T	L	0.0000
26	A	L	-1.2510
27	Q	L	-1.8369
28	P	L	-1.2644
29	P	L	-0.7909
30	S	L	-0.7858
31	G	L	-0.6756
32	W	L	-0.3098
33	T	L	-0.1755
34	M	L	0.0000
35	S	L	0.0000
36	W	L	0.0000
37	Y	L	0.0000
38	Q	L	0.0000
39	Q	L	0.0000
40	K	L	-1.7464
41	P	L	-1.3672
42	G	L	-1.5934
43	K	L	-2.5841
44	A	L	-1.6959
45	P	L	0.0000
46	K	L	-1.6592
47	V	L	-0.5349
48	L	L	0.0000
49	I	L	0.0000
50	Y	L	0.0000
51	G	L	0.0000
52	P	L	0.0583
53	F	L	0.9322
54	R	L	-0.8887
55	K	L	-0.9145
56	P	L	0.0000
57	P	L	-0.8235
58	G	L	-0.7116
59	V	L	0.0000
60	P	L	-0.5283
61	S	L	-0.6013
62	R	L	-0.7722
63	F	L	0.0000
64	S	L	-0.2326
65	G	L	0.1115
66	S	L	-0.2423
67	G	L	-0.6899
68	S	L	-0.8353
69	G	L	-1.2215
70	T	L	-1.4411
71	D	L	-2.0546
72	Y	L	0.0000
73	T	L	-0.4234
74	L	L	0.0000
75	T	L	-0.5990
76	I	L	0.0000
77	S	L	-1.3212
78	S	L	-1.2818
79	L	L	0.0000
80	Q	L	-1.2401
81	P	L	-1.6001
82	E	L	-1.9195
83	D	L	0.0000
84	F	L	0.0000
85	A	L	0.0000
86	T	L	-0.7926
87	Y	L	0.0000
88	Y	L	0.0000
89	C	L	0.0000
90	A	L	0.0000
91	L	L	0.0000
92	I	L	0.0860
93	K	L	-0.4262
94	P	L	-0.3902
95	Y	L	0.4591
96	A	L	0.0000
97	T	L	-0.5553
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.8876
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.3884
104	V	L	0.0000
105	E	L	-0.9929
106	I	L	0.0000
107	K	L	-1.4416
108	R	L	-0.8207
109	T	L	-0.1243
110	V	L	0.2100
111	A	L	-0.0880
112	A	L	-0.1459
113	P	L	0.0000
114	S	L	-0.2509
115	V	L	0.0000
116	F	L	0.0000
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-0.5711
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.8199
123	E	L	-2.6286
124	Q	L	0.0000
125	L	L	-2.0809
126	K	L	-2.6987
127	S	L	-1.6923
128	G	L	-1.2306
129	T	L	-0.9840
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	-0.7994
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6821
142	R	L	-2.7599
143	E	L	-3.1706
144	A	L	-2.3029
145	K	L	-2.3883
146	V	L	-0.9554
147	Q	L	-0.4851
148	W	L	0.0000
149	K	L	-0.4089
150	V	L	0.0000
151	D	L	-1.7311
152	N	L	-1.4163
153	A	L	-0.2224
154	L	L	0.7439
155	Q	L	-0.1896
156	S	L	-0.4006
157	G	L	-0.8685
158	N	L	-0.7682
159	S	L	-0.9590
160	Q	L	-1.1058
161	E	L	-1.2535
162	S	L	-0.4636
163	V	L	-0.0794
164	T	L	-0.6195
165	E	L	-1.4820
166	Q	L	0.0000
167	D	L	-1.7261
168	S	L	-2.0869
169	K	L	-2.4991
170	D	L	-1.7407
171	S	L	0.0000
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.5425
179	L	L	0.0000
180	T	L	-0.3824
181	L	L	-0.5796
182	S	L	-1.1231
183	K	L	-1.9007
184	A	L	-1.7133
185	D	L	-2.2740
186	Y	L	0.0000
187	E	L	-3.1818
188	K	L	-3.3611
189	H	L	-2.7287
190	K	L	-2.9706
191	V	L	-1.6309
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.5331
196	V	L	0.0000
197	T	L	-1.1742
198	H	L	0.0000
199	Q	L	-1.7766
200	G	L	-0.4832
201	L	L	-0.2641
202	S	L	-0.4617
203	S	L	-0.4222
204	P	L	-0.5261
205	V	L	0.0608
206	T	L	-0.3742
207	K	L	-0.8190
208	S	L	-0.7600
209	F	L	0.0000
210	N	L	-1.7983
211	R	L	-2.3821
212	G	L	-1.8577
213	E	L	-2.0715
214	C	L	-1.1616