Project name: 37cc1360985f5d1

Chain sequence(s)	H: PVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGRGLEWIGAIYPGNGDTSYNQKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSTYYGGDWYFNVWGAGTTVTVSAASTTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; L: VLSQSPAILSASPGEKVTMTCRASSSVSYIHWFQQKPGSSPKPWIYATSNLASGVPVRFSGSSGSGTSYSLTISRVEAEDAATYYCQQWTSNPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPRREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADDYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:08)

• Minimal score value: -3.6763
• Maximal score value: 1.645
• Average score: -0.6593
• Total score value: -284.8199

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
3	V	L	1.3595
4	L	L	0.1525
5	S	L	-0.6747
6	Q	L	-0.8151
7	S	L	-0.3953
8	P	L	0.2275
9	A	L	0.4282
10	I	L	1.2971
11	L	L	0.5027
12	S	L	-0.4597
13	A	L	0.0000
14	S	L	-2.2108
15	P	L	-2.4413
16	G	L	-3.0180
17	E	L	-3.5741
18	K	L	-3.4628
19	V	L	0.0000
20	T	L	-0.4613
21	M	L	0.0000
22	T	L	-0.7151
23	C	L	0.0000
24	R	L	-1.8426
25	A	L	-0.6234
26	S	L	-0.2033
27	S	L	-0.3514
28	S	L	-0.6785
29	V	L	-0.3375
30	S	L	-0.2126
31	Y	L	0.0465
32	I	L	0.0000
33	H	L	0.0000
34	W	L	0.0000
35	F	L	0.0000
36	Q	L	0.0000
37	Q	L	0.0000
38	K	L	-1.5525
39	P	L	-1.1306
40	G	L	-0.9949
41	S	L	-0.7698
42	S	L	-0.5206
43	P	L	0.0000
44	K	L	-1.2069
45	P	L	0.0000
46	W	L	-0.2680
47	I	L	0.0000
48	Y	L	0.3310
49	A	L	0.0000
50	T	L	-0.2326
51	S	L	-0.3208
52	N	L	-0.0947
53	L	L	0.4519
54	A	L	0.0000
55	S	L	-0.3530
56	G	L	-0.2762
57	V	L	0.0000
58	P	L	0.5826
59	V	L	1.5671
60	R	L	-0.2576
61	F	L	0.0000
62	S	L	0.0093
63	G	L	-0.3482
64	S	L	-0.5610
65	G	L	-0.7875
66	S	L	-0.7062
67	G	L	-0.6845
68	T	L	-0.9554
69	S	L	-1.1517
70	Y	L	0.0000
71	S	L	-0.6306
72	L	L	0.0000
73	T	L	-0.7704
74	I	L	0.0000
75	S	L	-2.0492
76	R	L	-3.6275
77	V	L	0.0000
78	E	L	-3.1968
79	A	L	-2.5621
80	E	L	-2.9121
81	D	L	0.0000
82	A	L	-1.8534
83	A	L	0.0000
84	T	L	0.0000
85	Y	L	0.0000
86	Y	L	0.0000
87	C	L	0.0000
88	Q	L	0.0000
89	Q	L	0.0000
90	W	L	-0.0609
91	T	L	-0.3342
92	S	L	-0.6956
93	N	L	-1.5091
94	P	L	-0.9176
95	P	L	0.0000
96	T	L	0.1362
97	F	L	0.0000
98	G	L	0.0000
99	G	L	-0.9121
100	G	L	-0.4528
101	T	L	0.0000
102	K	L	-0.8677
103	L	L	0.0000
104	E	L	-1.0562
105	I	L	0.0000
106	K	L	-1.6888
107	R	L	-1.0606
108	T	L	0.1813
109	V	L	1.0761
110	A	L	0.3552
111	A	L	0.0956
112	P	L	0.0000
113	S	L	-0.0884
114	V	L	-0.1647
115	F	L	0.0000
116	I	L	0.0000
117	F	L	0.0000
118	P	L	-0.6432
119	P	L	-1.0989
120	S	L	-1.7324
121	D	L	-3.1096
122	E	L	-3.2866
123	Q	L	0.0000
124	L	L	-2.2041
125	K	L	-2.9631
126	S	L	-1.8557
127	G	L	-1.5060
128	T	L	-1.3664
129	A	L	0.0000
130	S	L	0.0000
131	V	L	0.0000
132	V	L	0.0000
133	C	L	0.0000
134	L	L	0.0000
135	L	L	0.0000
136	N	L	0.0000
137	N	L	-0.7304
138	F	L	0.0000
139	Y	L	0.0000
140	P	L	-1.2678
141	R	L	-2.0748
142	E	L	-2.8199
143	A	L	-2.0476
144	K	L	-2.1576
145	V	L	-1.1780
146	Q	L	-0.7639
147	W	L	0.0000
148	K	L	-0.7719
149	V	L	0.0000
150	D	L	-1.8341
151	N	L	-1.6284
152	A	L	-0.4629
153	L	L	0.2972
154	Q	L	-0.3781
155	S	L	-0.4966
156	G	L	-0.8777
157	N	L	-0.7691
158	S	L	-1.1286
159	Q	L	-1.3536
160	E	L	-1.7476
161	S	L	-0.5224
162	V	L	-0.4535
163	T	L	-0.7500
164	E	L	-1.8092
165	Q	L	-1.8448
166	D	L	-2.0066
167	S	L	-2.4415
168	K	L	-2.7886
169	D	L	-2.0436
170	S	L	0.0000
171	T	L	0.0000
172	Y	L	0.0000
173	S	L	0.0000
174	L	L	0.0000
175	S	L	0.0000
176	S	L	0.0000
177	T	L	-0.6925
178	L	L	0.0000
179	T	L	-0.4927
180	L	L	-0.8206
181	S	L	-1.2534
182	K	L	-2.2542
183	A	L	-2.0649
184	D	L	-3.1218
185	Y	L	0.0000
186	E	L	-3.5315
187	K	L	-3.6763
188	H	L	-3.1232
189	K	L	-3.2914
190	V	L	-1.4848
191	Y	L	0.0000
192	A	L	0.0000
193	C	L	0.0000
194	E	L	-0.7024
195	V	L	0.0000
196	T	L	-1.1196
197	H	L	0.0000
198	Q	L	-1.4977
199	G	L	-0.2093
200	L	L	-0.0791
201	S	L	-0.4116
202	S	L	-0.3842
203	P	L	-0.5321
204	V	L	0.0621
205	T	L	-0.3759
206	K	L	-0.7120
207	S	L	-0.7056
208	F	L	-0.9945
209	N	L	-1.8413
210	R	L	-2.3675
211	G	L	-1.9587
212	E	L	-2.1834
213	C	L	-0.4112
1	P	H	-0.4145
2	V	H	-0.3070
3	Q	H	-1.5058
4	L	H	0.0000
5	Q	H	-2.0224
6	Q	H	-1.1585
7	P	H	-0.8679
8	G	H	-0.9651
9	A	H	0.0000
10	E	H	-1.0937
11	L	H	-0.6001
12	V	H	0.0000
13	K	H	-1.9359
14	P	H	-1.2419
15	G	H	-1.1173
16	A	H	-0.9191
17	S	H	-1.0428
18	V	H	0.0000
19	K	H	-1.6138
20	M	H	0.0000
21	S	H	-0.8645
22	C	H	0.0000
23	K	H	-1.8828
24	A	H	0.0000
25	S	H	-1.0350
26	G	H	-0.6105
27	Y	H	-0.1180
28	T	H	0.0305
29	F	H	0.0000
30	T	H	-0.6905
31	S	H	-0.0266
32	Y	H	0.4199
33	N	H	-0.3992
34	M	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	K	H	-0.5331
39	Q	H	-0.7538
40	T	H	0.0000
41	P	H	-1.0574
42	G	H	-1.6008
43	R	H	-2.3909
44	G	H	-1.5264
45	L	H	0.0000
46	E	H	-0.8451
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	A	H	0.0000
51	I	H	0.0000
52	Y	H	-0.9965
53	P	H	0.0000
54	G	H	-1.3365
55	N	H	-2.2221
56	G	H	-2.2295
57	D	H	-2.3594
58	T	H	-1.1538
59	S	H	-0.7441
60	Y	H	-1.1898
61	N	H	0.0000
62	Q	H	-2.7307
63	K	H	-2.9015
64	F	H	0.0000
65	K	H	-2.8678
66	G	H	-1.9756
67	K	H	-1.4888
68	A	H	0.0000
69	T	H	-0.8124
70	L	H	0.0000
71	T	H	-0.7810
72	A	H	-1.3387
73	D	H	-1.8080
74	K	H	-2.4442
75	S	H	-1.3866
76	S	H	-1.2478
77	S	H	-1.2546
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.4608
81	M	H	0.0000
82	Q	H	-1.1307
83	L	H	0.0000
84	S	H	-0.8567
85	S	H	-0.8617
86	L	H	0.0000
87	T	H	-1.2651
88	S	H	-1.4143
89	E	H	-1.9653
90	D	H	0.0000
91	S	H	-0.7155
92	A	H	0.0000
93	V	H	0.2434
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	S	H	0.0000
100	T	H	0.9377
101	Y	H	1.6450
102	Y	H	1.2058
103	G	H	0.1108
104	G	H	0.0179
105	D	H	0.0000
106	W	H	1.1281
107	Y	H	0.0000
108	F	H	0.0000
109	N	H	-0.1954
110	V	H	-0.2135
111	W	H	-0.3608
112	G	H	0.0000
113	A	H	-0.4006
114	G	H	-0.2628
115	T	H	0.0000
116	T	H	-0.2044
117	V	H	0.0000
118	T	H	-0.6662
119	V	H	0.0000
120	S	H	-0.6874
121	A	H	-0.6491
122	A	H	-0.4013
123	S	H	-0.5476
124	T	H	-0.6761
125	K	H	-1.0932
126	G	H	-1.3312
127	P	H	-0.4969
128	S	H	-0.4895
129	V	H	0.0000
130	F	H	0.0000
131	P	H	-1.2038
132	L	H	0.0000
133	A	H	-0.8688
134	P	H	0.0000
135	S	H	-0.8561
136	S	H	-0.8932
137	K	H	-1.3776
138	S	H	0.0000
139	T	H	-0.7764
140	S	H	-0.6927
141	G	H	-0.7933
142	G	H	-0.8626
143	T	H	-0.5738
144	A	H	0.0000
145	A	H	0.0000
146	L	H	0.0000
147	G	H	0.0000
148	C	H	0.0000
149	L	H	0.0000
150	V	H	0.0000
151	K	H	0.0000
152	D	H	-0.3366
153	Y	H	0.0000
154	F	H	0.0000
155	P	H	0.0000
156	E	H	-0.7559
157	P	H	-0.9533
158	V	H	0.0000
159	T	H	-0.7771
160	V	H	-0.3570
161	S	H	-0.5218
162	W	H	0.0000
163	N	H	-0.8704
164	S	H	-0.7661
165	G	H	-0.5946
166	A	H	-0.2870
167	L	H	-0.0792
168	T	H	-0.2152
169	S	H	-0.2334
170	G	H	-0.3564
171	V	H	0.1165
172	H	H	-0.2306
173	T	H	-0.1034
174	F	H	0.0000
175	P	H	-0.2748
176	A	H	0.2143
177	V	H	0.5200
178	L	H	1.2078
179	Q	H	0.4195
180	S	H	-0.0077
181	S	H	-0.1552
182	G	H	0.1376
183	L	H	0.2015
184	Y	H	0.4495
185	S	H	0.0000
186	L	H	0.0000
187	S	H	0.0000
188	S	H	0.0000
189	V	H	0.0000
190	V	H	0.0000
191	T	H	-0.1628
192	V	H	0.0000
193	P	H	-0.5784
194	S	H	-0.6409
195	S	H	-0.5605
196	S	H	-0.5546
197	L	H	-0.7809
198	G	H	-0.9817
199	T	H	-0.7121
200	Q	H	-1.2426
201	T	H	-1.1319
202	Y	H	0.0000
203	I	H	-1.4442
204	C	H	0.0000
205	N	H	-1.7096
206	V	H	0.0000
207	N	H	-2.1128
208	H	H	0.0000
209	K	H	-2.2636
210	P	H	-1.4054
211	S	H	-1.6330
212	N	H	-2.3100
213	T	H	-2.2086
214	K	H	-2.7492
215	V	H	-1.9693
216	D	H	-2.7164
217	K	H	-2.1483
218	K	H	-2.4957
219	V	H	0.0000
220	E	H	-2.4712
221	P	H	-1.2025