Project name: efbe91f992a04b7

Chain sequence(s)	H: VQLVQSGAEVKKPGASVTVSCKASGYTFTDYYMHWVRQAPGQGLEWMGWIKPNSGGTNSAQRFQGRITMTWDTSISTAYMELSRLRSDDTAVYYCSRGGPVMNYYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPCTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRV; L: NIQMTQSPSSLSASVGDRVTITCRASQSIDSYLNWYQQKPGKAPKLLIYVASSLQSGVPSRFSGSGSGKDFTLTISSLQPEDFATYYCQQSYSIPTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:04:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:06)

• Minimal score value: -3.4859
• Maximal score value: 2.0216
• Average score: -0.6025
• Total score value: -257.2516

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	1.0925
3	Q	H	-0.2652
4	L	H	0.0000
5	V	H	0.4984
6	Q	H	-0.0638
7	S	H	-0.5338
8	G	H	-0.8009
9	A	H	-0.8110
10	E	H	-1.6479
11	V	H	-0.8022
12	K	H	-1.6192
13	K	H	-2.2965
14	P	H	-2.2737
15	G	H	-2.0555
16	A	H	-1.4677
17	S	H	-1.1017
18	V	H	0.0000
19	T	H	-0.5226
20	V	H	0.0000
21	S	H	-0.0507
22	C	H	0.0000
23	K	H	-0.1885
24	A	H	0.0000
25	S	H	0.0731
26	G	H	-0.1882
27	Y	H	0.0705
28	T	H	-0.2204
29	F	H	0.0000
30	T	H	-1.0154
31	D	H	-1.0577
32	Y	H	-0.1043
33	Y	H	0.0000
34	M	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	-0.5094
40	A	H	-0.9662
41	P	H	-0.7966
42	G	H	-1.2265
43	Q	H	-1.7976
44	G	H	-1.2217
45	L	H	0.0000
46	E	H	-0.4105
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	W	H	-0.0072
51	I	H	0.0000
52	K	H	-0.8080
53	P	H	0.0000
54	N	H	-1.6524
55	S	H	-1.1424
56	G	H	-1.0751
57	G	H	-0.8299
58	T	H	-0.5362
59	N	H	-0.8058
60	S	H	-1.2211
61	A	H	0.0000
62	Q	H	-2.5590
63	R	H	-2.8995
64	F	H	0.0000
65	Q	H	-2.4691
66	G	H	-2.0309
67	R	H	-1.6404
68	I	H	0.0000
69	T	H	-0.5894
70	M	H	0.0000
71	T	H	-0.1428
72	W	H	0.0366
73	D	H	-0.1906
74	T	H	-0.0455
75	S	H	0.4272
76	I	H	1.3704
77	S	H	0.3489
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	0.0423
81	M	H	0.0000
82	E	H	-0.6691
83	L	H	0.0000
84	S	H	-1.5307
85	R	H	-2.4782
86	L	H	0.0000
87	R	H	-2.7147
88	S	H	-1.9769
89	D	H	-2.2968
90	D	H	0.0000
91	T	H	-0.7293
92	A	H	0.0000
93	V	H	0.1844
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	S	H	0.0000
98	R	H	-0.0251
99	G	H	0.0000
100	G	H	0.0000
101	P	H	0.6421
102	V	H	0.5759
103	M	H	0.9227
104	N	H	0.9080
105	Y	H	1.9178
106	Y	H	1.7692
107	Y	H	2.0216
108	Y	H	1.7864
109	Y	H	1.1966
110	G	H	0.0000
111	M	H	0.0000
112	D	H	-0.7133
113	V	H	0.0113
114	W	H	-0.3785
115	G	H	0.0000
116	Q	H	-1.4202
117	G	H	-0.7601
118	T	H	0.0000
119	T	H	-0.2639
120	V	H	0.0000
121	T	H	-0.9754
122	V	H	0.0000
123	S	H	-1.2349
124	S	H	-1.0402
125	A	H	-0.7355
126	S	H	-0.9250
127	T	H	-1.0253
128	K	H	-1.7403
129	G	H	-1.6778
130	P	H	-0.8274
131	S	H	-0.4173
132	V	H	0.0000
133	F	H	-0.5464
134	P	H	-0.5706
135	L	H	0.0000
136	A	H	0.2796
137	P	H	0.4165
138	C	H	0.5971
146	T	H	-0.0419
147	A	H	0.3249
148	A	H	0.0000
149	L	H	0.4557
150	G	H	0.0000
151	C	H	0.0000
152	L	H	0.0000
153	V	H	0.0000
154	K	H	-0.3868
155	D	H	-0.6041
156	Y	H	0.0000
157	F	H	0.0000
158	P	H	-0.9953
159	E	H	-1.4211
160	P	H	-1.1456
161	V	H	-0.1497
162	T	H	0.2355
163	V	H	1.4259
164	S	H	0.6459
165	W	H	-0.1386
166	N	H	-0.3357
167	S	H	-0.0745
168	G	H	-0.1585
169	A	H	-0.1449
170	L	H	0.1971
171	T	H	0.0428
172	S	H	-0.2694
173	G	H	-0.5169
174	V	H	0.3106
175	H	H	-0.3261
176	T	H	0.0463
177	F	H	0.0000
178	P	H	-0.0719
179	A	H	0.3564
180	V	H	0.7748
181	L	H	1.5211
182	Q	H	0.3402
183	S	H	-0.0526
184	S	H	-0.2006
185	G	H	0.0652
186	L	H	0.0010
187	Y	H	0.3935
188	S	H	0.0000
189	L	H	0.3771
190	S	H	0.0321
191	S	H	0.0000
192	V	H	0.0000
193	V	H	0.5178
194	T	H	0.3528
195	V	H	0.2295
196	P	H	-0.1848
197	S	H	-0.2298
198	S	H	-0.2974
199	S	H	-0.3479
200	L	H	0.0052
201	G	H	-0.5484
202	T	H	-0.5841
203	K	H	-0.8593
204	T	H	-0.6730
205	Y	H	-0.4302
206	T	H	-1.2295
207	C	H	0.0000
208	N	H	-1.4502
209	V	H	0.0000
210	D	H	-2.1506
211	H	H	0.0000
212	K	H	-2.8406
213	P	H	-1.8640
214	S	H	-2.0237
215	N	H	-2.7222
216	T	H	-2.2613
217	K	H	-2.9426
218	V	H	-1.9859
219	D	H	-2.8215
220	K	H	-2.1532
221	R	H	-2.0818
222	V	H	-0.7305
1	N	L	-1.6357
2	I	L	0.0000
3	Q	L	-1.9383
4	M	L	-1.4353
5	T	L	-1.2222
6	Q	L	0.0000
7	S	L	-0.6301
8	P	L	-0.5383
9	S	L	-0.9357
10	S	L	-0.9115
11	L	L	-0.5597
12	S	L	-0.8487
13	A	L	-0.7227
14	S	L	-0.5319
15	V	L	0.6455
16	G	L	-0.6565
17	D	L	-1.5481
18	R	L	-2.2764
19	V	L	0.0000
20	T	L	-0.5144
21	I	L	0.0000
22	T	L	-0.7842
23	C	L	0.0000
24	R	L	-2.5175
25	A	L	0.0000
26	S	L	-1.7843
27	Q	L	-2.1934
28	S	L	-1.7171
29	I	L	0.0000
30	D	L	-1.9517
31	S	L	-0.7686
32	Y	L	0.4066
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.3089
39	K	L	-1.5647
40	P	L	-1.4745
41	G	L	-1.6910
42	K	L	-2.5456
43	A	L	-1.5844
44	P	L	0.0000
45	K	L	-1.5153
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.6589
50	V	L	0.4901
51	A	L	0.0000
52	S	L	-0.1311
53	S	L	0.1976
54	L	L	0.4190
55	Q	L	-0.1392
56	S	L	-0.4789
57	G	L	-0.5073
58	V	L	-0.3203
59	P	L	-0.3344
60	S	L	-0.4517
61	R	L	-0.8662
62	F	L	0.0000
63	S	L	-0.3496
64	G	L	-0.1856
65	S	L	-0.6463
66	G	L	-1.4515
67	S	L	-1.8258
68	G	L	-2.1180
69	K	L	-2.7852
70	D	L	-2.7397
71	F	L	0.0000
72	T	L	-0.7593
73	L	L	0.0000
74	T	L	-0.6323
75	I	L	0.0000
76	S	L	-1.5257
77	S	L	-1.1329
78	L	L	0.0000
79	Q	L	-0.7466
80	P	L	-0.7378
81	E	L	-1.5071
82	D	L	0.0000
83	F	L	-0.4472
84	A	L	0.0000
85	T	L	-0.9745
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	Y	L	1.3237
93	S	L	0.6820
94	I	L	0.1876
95	P	L	0.3013
96	T	L	-0.2913
97	F	L	-0.3274
98	G	L	-0.9120
99	Q	L	-1.7515
100	G	L	0.0000
101	T	L	0.0000
102	R	L	-1.9904
103	L	L	0.0000
104	E	L	-1.0844
105	I	L	-0.6203
106	K	L	-1.5554
107	R	L	-1.2132
108	T	L	0.0671
109	V	L	1.1774
110	A	L	0.4225
111	A	L	0.0377
112	P	L	-0.0355
113	S	L	-0.1348
114	V	L	0.1288
115	F	L	0.3828
116	I	L	0.4265
117	F	L	0.0000
118	P	L	0.0000
119	P	L	-0.3258
120	S	L	-1.1687
121	D	L	-2.5475
122	E	L	-2.3300
123	Q	L	0.0000
124	L	L	-1.9553
125	K	L	-2.6964
126	S	L	-1.7195
127	G	L	-1.4867
128	T	L	-1.1670
129	A	L	0.0000
130	S	L	0.0000
131	V	L	0.0000
132	V	L	0.0655
133	C	L	0.0000
134	L	L	0.0000
135	L	L	0.0000
136	N	L	-0.4657
137	N	L	-1.3117
138	F	L	0.0000
139	Y	L	0.0000
140	P	L	-1.6587
141	R	L	-3.2654
142	E	L	-3.1658
143	A	L	-2.2563
144	K	L	-2.4080
145	V	L	-1.0533
146	Q	L	-1.1662
147	W	L	0.0000
148	K	L	-0.9513
149	V	L	0.0000
150	D	L	-1.4038
151	N	L	-1.2918
152	A	L	-0.4240
153	L	L	0.4197
154	Q	L	-0.5720
155	S	L	-0.7667
156	G	L	-1.0669
157	N	L	-1.0523
158	S	L	-1.2997
159	Q	L	-1.2704
160	E	L	-1.8155
161	S	L	-0.7780
162	V	L	-0.8036
163	T	L	-1.1717
164	E	L	-2.3757
165	Q	L	-2.2022
166	D	L	-2.2999
167	S	L	-1.8458
168	K	L	-2.4259
169	D	L	-2.0256
170	S	L	-1.9851
171	T	L	0.0000
172	Y	L	0.0000
173	S	L	0.0000
174	L	L	0.0000
175	S	L	-0.3422
176	S	L	0.0000
177	T	L	0.0000
178	L	L	0.0000
179	T	L	-0.2848
180	L	L	-0.7064
181	S	L	-1.3247
182	K	L	-2.2174
183	A	L	-2.0246
184	D	L	-3.0284
185	Y	L	-2.6683
186	E	L	-3.4859
187	K	L	-3.3726
188	H	L	-2.8216
189	K	L	-2.8390
190	V	L	-1.0123
191	Y	L	0.0000
192	A	L	0.0000
193	C	L	0.0000
194	E	L	-0.9175
195	V	L	0.0000
196	T	L	-1.1559
197	H	L	0.0000
198	Q	L	-1.7444
199	G	L	-0.3039
200	L	L	-0.1687
201	S	L	-0.4601
202	S	L	-0.3855
203	P	L	-0.4014
204	V	L	0.1966
205	T	L	-0.4695
206	K	L	-0.7041
207	S	L	-0.4754
208	F	L	0.0000
209	N	L	-1.3029
210	R	L	-1.8242
211	G	L	-1.9122
212	E	L	-2.0264
213	C	L	-0.5754