Project name: 218

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGELTGGYMHWVRQAPGKGLEWVGLIIGDEVTIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARFFTKNGEFVAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT; L: DIQMTQSPSSLSASVGDRVTITCKLQKLTGNDGSIMWYQQKPGKAPKVLIYGPTGKKPSGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCQLSKDGTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:08:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:21)

• Minimal score value: -3.5755
• Maximal score value: 1.0962
• Average score: -0.8113
• Total score value: -357.7693

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	-2.0219
2	V	H	-1.4246
3	Q	H	-1.1988
4	L	H	0.0000
5	V	H	1.0295
6	E	H	0.0000
7	S	H	-0.1978
8	G	H	-0.7727
9	G	H	-0.4788
10	G	H	-0.2503
11	L	H	-0.0489
12	V	H	0.0000
13	Q	H	-1.7496
14	P	H	-1.9893
15	G	H	-1.6285
16	G	H	-1.2867
17	S	H	-1.3398
18	L	H	-1.0214
19	R	H	-1.6812
20	L	H	0.0000
21	S	H	-0.2547
22	C	H	0.0000
23	A	H	-0.1005
24	A	H	0.0000
25	S	H	-1.1601
26	G	H	-1.5472
27	E	H	-2.4992
28	L	H	0.0000
29	T	H	-1.3583
30	G	H	-0.7496
31	G	H	0.0000
32	Y	H	0.8489
33	M	H	0.0000
34	H	H	0.4269
35	W	H	0.0000
36	V	H	0.0000
37	R	H	0.0000
38	Q	H	-0.7127
39	A	H	-1.1538
40	P	H	-0.9870
41	G	H	-1.4726
42	K	H	-2.3210
43	G	H	-1.5056
44	L	H	0.0000
45	E	H	-0.7450
46	W	H	0.0000
47	V	H	0.0000
48	G	H	0.0000
49	L	H	0.8968
50	I	H	0.0000
51	I	H	0.2896
52	G	H	-1.3095
53	D	H	-2.7401
54	E	H	-2.2300
55	V	H	0.0604
56	T	H	0.4635
57	I	H	1.0962
58	Y	H	-0.4059
59	D	H	-1.2295
60	P	H	-2.0138
61	K	H	-2.5573
62	F	H	0.0000
63	Q	H	-2.5411
64	D	H	-2.9584
65	R	H	-2.1289
66	A	H	0.0000
67	T	H	-0.7974
68	I	H	0.0000
69	S	H	-0.9099
70	A	H	-1.8259
71	D	H	-2.4885
72	N	H	-3.0397
73	S	H	-2.1431
74	K	H	-2.7565
75	N	H	-2.3271
76	T	H	0.0000
77	A	H	0.0000
78	Y	H	-0.4238
79	L	H	0.0000
80	Q	H	-0.9899
81	M	H	0.0000
82	N	H	-1.7166
83	S	H	-1.6311
84	L	H	0.0000
85	R	H	-2.9697
86	A	H	-2.0497
87	E	H	-2.4428
88	D	H	0.0000
89	T	H	-0.8372
90	A	H	0.0000
91	V	H	0.1300
92	Y	H	0.0000
93	Y	H	0.0000
94	C	H	0.0000
95	A	H	0.0000
96	R	H	0.0000
97	F	H	0.4667
98	F	H	0.0000
99	T	H	-1.2556
100	K	H	-2.5684
101	N	H	-2.4469
102	G	H	-1.8301
103	E	H	-1.6889
104	F	H	-0.8259
105	V	H	-0.2062
106	A	H	0.1961
107	V	H	0.0000
108	W	H	-0.5315
109	G	H	0.0000
110	Q	H	-1.3653
111	G	H	-0.5776
112	T	H	-0.0159
113	L	H	0.0936
114	V	H	0.0000
115	T	H	0.0000
116	V	H	0.0000
117	S	H	-1.0931
118	S	H	-0.7053
119	A	H	-0.4677
120	S	H	-0.5909
121	T	H	-0.7637
122	K	H	-1.2614
123	G	H	-1.3453
124	P	H	0.0000
125	S	H	-0.3941
126	V	H	0.0000
127	F	H	0.0000
128	P	H	-1.1291
129	L	H	0.0000
130	A	H	-1.1172
131	P	H	0.0000
132	S	H	-0.9877
133	S	H	-0.8349
134	K	H	-1.2723
135	S	H	0.0000
136	T	H	-0.7546
137	S	H	-0.7559
138	G	H	-0.8122
139	G	H	-0.8808
140	T	H	-0.5963
141	A	H	0.0000
142	A	H	0.0000
143	L	H	0.0000
144	G	H	0.0000
145	C	H	0.0000
146	L	H	0.0000
147	V	H	0.0000
148	K	H	0.0000
149	D	H	-0.3218
150	Y	H	0.0000
151	F	H	0.0000
152	P	H	0.0000
153	E	H	-0.5505
154	P	H	-0.6692
155	V	H	-0.6670
156	T	H	-0.5660
157	V	H	-0.3622
158	S	H	-0.3817
159	W	H	0.0000
160	N	H	-0.7313
161	S	H	-0.6444
162	G	H	-0.4374
163	A	H	-0.1937
164	L	H	0.0632
165	T	H	-0.1125
166	S	H	-0.1268
167	G	H	-0.1202
168	V	H	0.2262
169	H	H	-0.3073
170	T	H	-0.1837
171	F	H	0.0000
172	P	H	-0.2815
173	A	H	0.2321
174	V	H	0.4467
175	L	H	0.9790
176	Q	H	0.1548
177	S	H	-0.1298
178	S	H	-0.2159
179	G	H	0.0432
180	L	H	0.1181
181	Y	H	0.4261
182	S	H	0.0000
183	L	H	0.0000
184	S	H	0.0000
185	S	H	0.0000
186	V	H	0.0000
187	V	H	0.0000
188	T	H	-0.0920
189	V	H	0.0000
190	P	H	-0.5395
191	S	H	-0.5823
192	S	H	-0.5858
193	S	H	-0.5580
194	L	H	-0.7437
195	G	H	-0.9432
196	T	H	-0.6857
197	Q	H	-1.1063
198	T	H	-1.0701
199	Y	H	0.0000
200	I	H	-1.2826
201	C	H	0.0000
202	N	H	-1.4676
203	V	H	0.0000
204	N	H	-1.8911
205	H	H	0.0000
206	K	H	-2.7161
207	P	H	-1.5833
208	S	H	-1.8688
209	N	H	-2.5644
210	T	H	-2.0364
211	K	H	-2.6627
212	V	H	-1.5987
213	D	H	-2.5194
214	K	H	-2.1259
215	K	H	-2.5219
216	V	H	0.0000
217	E	H	-2.7584
218	P	H	-1.7204
219	K	H	-2.1173
220	S	H	-1.5546
221	C	H	-1.2505
222	D	H	-2.6368
223	K	H	-2.7392
224	T	H	-1.8917
225	H	H	-1.9282
226	T	H	-0.8596
1	D	L	-2.2953
2	I	L	-1.7210
3	Q	L	-2.2583
4	M	L	0.0000
5	T	L	-1.2535
6	Q	L	0.0000
7	S	L	-0.6939
8	P	L	-0.5847
9	S	L	-0.9719
10	S	L	-1.0818
11	L	L	-0.8172
12	S	L	-1.1821
13	A	L	0.0000
14	S	L	-0.8412
15	V	L	-0.0083
16	G	L	-0.8018
17	D	L	-1.6941
18	R	L	-2.3421
19	V	L	0.0000
20	T	L	-0.6196
21	I	L	0.0000
22	T	L	-0.7374
23	C	L	0.0000
24	K	L	-2.1267
25	L	L	0.0000
26	Q	L	-2.6598
27	K	L	-2.3051
28	L	L	-1.0575
29	T	L	-1.2462
30	G	L	-1.4303
31	N	L	-2.2510
32	D	L	-2.5263
33	G	L	-1.8003
34	S	L	-1.1477
35	I	L	0.0000
36	M	L	-0.1922
37	W	L	0.0000
38	Y	L	0.0000
39	Q	L	0.0000
40	Q	L	0.0000
41	K	L	-1.9616
42	P	L	-1.5200
43	G	L	-1.6568
44	K	L	-2.6066
45	A	L	-1.7227
46	P	L	0.0000
47	K	L	-1.5435
48	V	L	0.0000
49	L	L	0.0000
50	I	L	0.0000
51	Y	L	-0.6348
52	G	L	-0.6998
53	P	L	-0.9348
54	T	L	-0.9067
55	G	L	-1.1978
56	K	L	-1.9306
57	K	L	-1.4827
58	P	L	0.0000
59	S	L	-0.7024
60	G	L	-0.6239
61	V	L	-0.5540
62	P	L	-0.4411
63	S	L	-0.5417
64	R	L	-0.7444
65	F	L	0.0000
66	S	L	-0.7079
67	G	L	-0.7274
68	S	L	-0.9696
69	G	L	-1.3927
70	S	L	-1.4439
71	G	L	-1.6450
72	T	L	-1.8894
73	D	L	-2.4751
74	Y	L	0.0000
75	T	L	-0.7910
76	L	L	0.0000
77	T	L	-0.5850
78	I	L	0.0000
79	S	L	-1.2976
80	S	L	-1.1730
81	L	L	0.0000
82	Q	L	-1.0338
83	P	L	-1.1319
84	E	L	-1.7314
85	D	L	0.0000
86	F	L	-0.8232
87	A	L	0.0000
88	T	L	0.0000
89	Y	L	0.0000
90	Y	L	0.0000
91	C	L	0.0000
92	Q	L	0.0000
93	L	L	0.0000
94	S	L	-1.2064
95	K	L	-2.2495
96	D	L	-1.2370
97	G	L	0.0000
98	T	L	-0.9128
99	F	L	-0.3575
100	G	L	0.0000
101	Q	L	-1.6490
102	G	L	0.0000
103	T	L	0.0000
104	K	L	-2.0560
105	V	L	0.0000
106	E	L	-1.5257
107	I	L	0.0000
108	K	L	-1.5978
109	R	L	-1.1066
110	T	L	-0.1907
111	V	L	0.2167
112	A	L	-0.1173
113	A	L	-0.1412
114	P	L	0.0000
115	S	L	-0.2499
116	V	L	0.0000
117	F	L	0.0000
118	I	L	0.0000
119	F	L	0.0000
120	P	L	-0.5808
121	P	L	0.0000
122	S	L	-1.7363
123	D	L	-3.0140
124	E	L	-2.8637
125	Q	L	0.0000
126	L	L	-2.2055
127	K	L	-2.7909
128	S	L	-1.7552
129	G	L	-1.2697
130	T	L	-0.8523
131	A	L	0.0000
132	S	L	0.0000
133	V	L	0.0000
134	V	L	0.0000
135	C	L	0.0000
136	L	L	0.0000
137	L	L	0.0000
138	N	L	0.0000
139	N	L	-0.9302
140	F	L	0.0000
141	Y	L	0.0000
142	P	L	-1.8686
143	R	L	-3.1496
144	E	L	-3.2905
145	A	L	-2.3727
146	K	L	-2.6061
147	V	L	-1.1307
148	Q	L	-0.6744
149	W	L	0.0000
150	K	L	-0.4914
151	V	L	0.0000
152	D	L	-1.5073
153	N	L	-1.1552
154	A	L	-0.1436
155	L	L	0.7213
156	Q	L	-0.1855
157	S	L	-0.4117
158	G	L	-0.9089
159	N	L	-0.8239
160	S	L	-1.1328
161	Q	L	-1.4553
162	E	L	-1.6672
163	S	L	-0.8000
164	V	L	-0.7087
165	T	L	-1.2024
166	E	L	-2.3155
167	Q	L	0.0000
168	D	L	-1.9246
169	S	L	-1.9725
170	K	L	-2.2247
171	D	L	-1.6682
172	S	L	-1.8239
173	T	L	0.0000
174	Y	L	0.0000
175	S	L	0.0000
176	L	L	0.0000
177	S	L	0.0000
178	S	L	0.0000
179	T	L	-0.6281
180	L	L	0.0000
181	T	L	-0.4520
182	L	L	-0.6202
183	S	L	-1.1891
184	K	L	-1.9897
185	A	L	-1.8687
186	D	L	-2.4627
187	Y	L	0.0000
188	E	L	-3.5644
189	K	L	-3.5755
190	H	L	-2.9231
191	K	L	-3.1501
192	V	L	-1.7245
193	Y	L	0.0000
194	A	L	0.0000
195	C	L	0.0000
196	E	L	-0.7068
197	V	L	0.0000
198	T	L	-1.2426
199	H	L	0.0000
200	Q	L	-1.7857
201	G	L	-0.4554
202	L	L	-0.2661
203	S	L	-0.4720
204	S	L	-0.4256
205	P	L	-0.5437
206	V	L	0.0558
207	T	L	-0.4077
208	K	L	-0.7845
209	S	L	-0.7385
210	F	L	0.0000
211	N	L	-1.9865
212	R	L	-2.6214
213	G	L	-2.1606
214	E	L	-2.1622
215	C	L	-1.0594