Project name: 166

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGDVSIGSYYMHWVRQAPGKGLEWVGLISGITIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCAREELKDGSLVSVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT; L: DIQMTQSPSSLSASVGDRVTITCKAQGVKGYDIYWYQQKPGKAPKVLIYGPDMKLPEGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCSLKRPGKLVFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:11:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:09)

• Minimal score value: -3.4181
• Maximal score value: 2.0246
• Average score: -0.7833
• Total score value: -345.4225

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	-2.4899
2	V	H	-1.7911
3	Q	H	-1.5208
4	L	H	0.0000
5	V	H	0.6955
6	E	H	0.0000
7	S	H	-0.3756
8	G	H	-0.6726
9	G	H	-0.3992
10	G	H	-0.3056
11	L	H	-0.0885
12	V	H	0.0000
13	Q	H	-1.7511
14	P	H	-1.9760
15	G	H	-1.6154
16	G	H	-1.2879
17	S	H	-1.2420
18	L	H	-0.8591
19	R	H	-1.4091
20	L	H	0.0000
21	S	H	-0.3004
22	C	H	0.0000
23	A	H	-0.2120
24	A	H	0.0000
25	S	H	-1.4420
26	G	H	-2.1871
27	D	H	-2.5231
28	V	H	0.0000
29	S	H	-1.4013
30	I	H	0.0000
31	G	H	-1.0640
32	S	H	-0.4994
33	Y	H	0.4016
34	Y	H	0.8408
35	M	H	0.0000
36	H	H	0.0000
37	W	H	0.0000
38	V	H	0.0000
39	R	H	0.0000
40	Q	H	-0.7310
41	A	H	-1.1496
42	P	H	-0.9825
43	G	H	-1.4959
44	K	H	-2.3187
45	G	H	-1.5001
46	L	H	0.0000
47	E	H	-0.7307
48	W	H	0.0000
49	V	H	0.0000
50	G	H	0.0000
51	L	H	0.0000
52	I	H	0.9845
53	S	H	0.6557
54	G	H	0.6258
55	I	H	2.0246
56	T	H	1.2452
57	I	H	0.8925
58	Y	H	-0.6276
59	D	H	-1.2790
60	P	H	-1.7728
61	K	H	-2.4825
62	F	H	0.0000
63	Q	H	-2.4945
64	D	H	-2.8055
65	R	H	0.0000
66	A	H	0.0000
67	T	H	-0.7484
68	I	H	0.0000
69	S	H	-0.1483
70	A	H	-1.0770
71	D	H	-1.9639
72	N	H	-2.5216
73	S	H	-1.9988
74	K	H	-2.5604
75	N	H	-1.9829
76	T	H	-1.2192
77	A	H	0.0000
78	Y	H	0.0000
79	L	H	0.0000
80	Q	H	-0.8660
81	M	H	0.0000
82	N	H	-1.5889
83	S	H	-1.5554
84	L	H	0.0000
85	R	H	-2.9232
86	A	H	-2.0254
87	E	H	-2.4258
88	D	H	0.0000
89	T	H	-0.8214
90	A	H	0.0000
91	V	H	0.1413
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	E	H	0.0000
98	E	H	-0.1516
99	L	H	0.0973
100	K	H	-1.9500
101	D	H	-2.3649
102	G	H	-1.4951
103	S	H	-0.6159
104	L	H	0.0000
105	V	H	0.0000
106	S	H	-0.2433
107	V	H	-0.3033
108	W	H	-0.4901
109	G	H	0.0000
110	Q	H	-1.4585
111	G	H	-0.6639
112	T	H	-0.0578
113	L	H	0.1900
114	V	H	0.0000
115	T	H	0.0000
116	V	H	0.0000
117	S	H	-1.1019
118	S	H	-0.7255
119	A	H	-0.5023
120	S	H	-0.6356
121	T	H	-0.8011
122	K	H	-1.3123
123	G	H	-1.4563
124	P	H	0.0000
125	S	H	-0.4098
126	V	H	0.0000
127	F	H	0.0000
128	P	H	-1.1213
129	L	H	0.0000
130	A	H	-1.3511
131	P	H	0.0000
132	S	H	-1.1536
133	S	H	-0.8335
134	K	H	-1.5123
135	S	H	0.0000
136	T	H	-0.8538
137	S	H	-0.8345
138	G	H	-0.8302
139	G	H	-0.8950
140	T	H	-0.6173
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	-0.3877
150	Y	H	0.0000
151	F	H	0.0000
152	P	H	0.0000
153	E	H	-0.5903
154	P	H	-0.8685
155	V	H	-0.9056
156	T	H	-0.8163
157	V	H	-0.5338
158	S	H	-0.4742
159	W	H	0.0000
160	N	H	-0.7295
161	S	H	-0.6377
162	G	H	-0.4296
163	A	H	-0.2059
164	L	H	0.0378
165	T	H	-0.1359
166	S	H	-0.1427
167	G	H	-0.1239
168	V	H	0.1929
169	H	H	-0.2922
170	T	H	-0.1866
171	F	H	0.0000
172	P	H	-0.2914
173	A	H	0.2570
174	V	H	0.6092
175	L	H	1.1675
176	Q	H	0.3044
177	S	H	-0.1832
178	S	H	-0.1991
179	G	H	0.0612
180	L	H	0.1266
181	Y	H	0.4562
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	-0.1005
189	V	H	0.0000
190	P	H	-0.5482
191	S	H	-0.5945
192	S	H	-0.5782
193	S	H	-0.5364
194	L	H	-0.7598
195	G	H	-0.9404
196	T	H	-0.6465
197	Q	H	-1.0243
198	T	H	-1.0207
199	Y	H	0.0000
200	I	H	-1.2129
201	C	H	0.0000
202	N	H	-1.6209
203	V	H	0.0000
204	N	H	-2.5395
205	H	H	0.0000
206	K	H	-2.9128
207	P	H	-1.6971
208	S	H	-1.9170
209	N	H	-2.6849
210	T	H	-2.2167
211	K	H	-2.9375
212	V	H	-1.7693
213	D	H	-2.6257
214	K	H	-2.1725
215	K	H	-2.4570
216	V	H	0.0000
217	E	H	-2.8450
218	P	H	-1.9165
219	K	H	-2.4365
220	S	H	-1.5596
221	C	H	-1.0975
222	D	H	-2.5699
223	K	H	-2.6881
224	T	H	-1.8529
225	H	H	-1.8845
226	T	H	-0.8765
1	D	L	-2.2542
2	I	L	-1.7391
3	Q	L	-2.1466
4	M	L	0.0000
5	T	L	-1.1656
6	Q	L	0.0000
7	S	L	-0.6614
8	P	L	-0.6343
9	S	L	-0.9385
10	S	L	-1.0649
11	L	L	-0.7804
12	S	L	-1.2910
13	A	L	0.0000
14	S	L	-1.0786
15	V	L	-0.1959
16	G	L	-0.7869
17	D	L	-1.8547
18	R	L	-2.3257
19	V	L	0.0000
20	T	L	-0.5923
21	I	L	0.0000
22	T	L	-0.6765
23	C	L	0.0000
24	K	L	-1.9328
25	A	L	0.0000
26	Q	L	-2.6416
27	G	L	-1.9822
28	V	L	-1.6490
29	K	L	-2.2958
30	G	L	-1.2712
31	Y	L	-0.8477
32	D	L	-1.2198
33	I	L	0.0000
34	Y	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	-1.8967
40	P	L	-1.4980
41	G	L	-1.6296
42	K	L	-2.5940
43	A	L	-1.6815
44	P	L	0.0000
45	K	L	-1.5597
46	V	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	G	L	0.0000
51	P	L	-1.8175
52	D	L	-2.4469
53	M	L	0.0000
54	K	L	-1.8884
55	L	L	-0.9809
56	P	L	0.0000
57	E	L	-2.0427
58	G	L	-1.2422
59	V	L	-0.8868
60	P	L	-0.5316
61	S	L	-0.3929
62	R	L	-0.7465
63	F	L	0.0000
64	S	L	-0.4759
65	G	L	-0.7598
66	S	L	-1.1431
67	G	L	-1.4001
68	S	L	-1.6157
69	G	L	-1.6892
70	T	L	-1.9897
71	D	L	-2.4145
72	Y	L	0.0000
73	T	L	-0.7380
74	L	L	0.0000
75	T	L	-0.5996
76	I	L	0.0000
77	S	L	-1.2784
78	S	L	-1.1622
79	L	L	0.0000
80	Q	L	-1.0433
81	P	L	-1.4117
82	E	L	-2.0825
83	D	L	0.0000
84	F	L	-1.0275
85	A	L	0.0000
86	T	L	0.0000
87	Y	L	0.0000
88	Y	L	0.0000
89	C	L	0.0000
90	S	L	0.0000
91	L	L	0.0000
92	K	L	-0.8826
93	R	L	-1.2588
94	P	L	-0.8109
95	G	L	-0.2260
96	K	L	-0.7221
97	L	L	0.0000
98	V	L	-0.4399
99	F	L	-0.3076
100	G	L	0.0000
101	Q	L	-1.6208
102	G	L	0.0000
103	T	L	0.0000
104	K	L	-2.0897
105	V	L	0.0000
106	E	L	-1.6703
107	I	L	0.0000
108	K	L	-1.9767
109	R	L	-1.2723
110	T	L	-0.3007
111	V	L	0.1076
112	A	L	-0.1155
113	A	L	-0.1095
114	P	L	0.0000
115	S	L	-0.2328
116	V	L	0.0000
117	F	L	0.0000
118	I	L	0.0000
119	F	L	0.0000
120	P	L	-0.7006
121	P	L	-0.8788
122	S	L	-1.8140
123	D	L	-3.0563
124	E	L	-2.8257
125	Q	L	0.0000
126	L	L	-2.1777
127	K	L	-2.7788
128	S	L	-1.7426
129	G	L	-1.2523
130	T	L	-0.9763
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	-0.7934
140	F	L	0.0000
141	Y	L	0.0000
142	P	L	-1.9287
143	R	L	-3.1586
144	E	L	-3.3054
145	A	L	-2.3941
146	K	L	-2.4267
147	V	L	-1.0447
148	Q	L	-0.5148
149	W	L	0.0000
150	K	L	-0.4705
151	V	L	0.0000
152	D	L	-1.6421
153	N	L	-1.2109
154	A	L	-0.2100
155	L	L	0.6948
156	Q	L	-0.3899
157	S	L	-0.6773
158	G	L	-1.3045
159	N	L	-1.6643
160	S	L	-1.3853
161	Q	L	-1.2299
162	E	L	-1.3271
163	S	L	-0.7357
164	V	L	-0.7397
165	T	L	-1.1726
166	E	L	-2.3176
167	Q	L	0.0000
168	D	L	-1.8415
169	S	L	-2.0878
170	K	L	-2.4588
171	D	L	-1.6884
172	S	L	-1.8487
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	-0.6402
180	L	L	0.0000
181	T	L	-0.6182
182	L	L	-0.7058
183	S	L	-1.0661
184	K	L	-1.7905
185	A	L	-1.6559
186	D	L	-2.2306
187	Y	L	0.0000
188	E	L	-3.1710
189	K	L	-3.4181
190	H	L	-2.9375
191	K	L	-3.1916
192	V	L	-1.7586
193	Y	L	0.0000
194	A	L	0.0000
195	C	L	0.0000
196	E	L	-0.5576
197	V	L	0.0000
198	T	L	-1.1973
199	H	L	0.0000
200	Q	L	-1.7750
201	G	L	-0.4353
202	L	L	-0.2255
203	S	L	-0.4536
204	S	L	-0.4263
205	P	L	-0.5617
206	V	L	0.0046
207	T	L	-0.3724
208	K	L	-0.8265
209	S	L	-0.7748
210	F	L	0.0000
211	N	L	-1.9604
212	R	L	-2.8092
213	G	L	-2.2191
214	E	L	-2.1676
215	C	L	-1.0622