Project name: 114

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGSPLSGAYMHWVRQAPGKGLEWVGLISASLGGSTATIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARLYVDSAGTLVGVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT; L: DIQMTQSPSSLSASVGDRVTITCKLSSPGSGTILWYQQKPGKAPKVLIYGKVSGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCAYMHRGITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:08:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:14)

• Minimal score value: -3.3336
• Maximal score value: 1.5455
• Average score: -0.6968
• Total score value: -308.0004

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	-2.1967
2	V	H	-1.5121
3	Q	H	-1.3711
4	L	H	0.0000
5	V	H	1.1679
6	E	H	0.0000
7	S	H	-0.3249
8	G	H	-0.8588
9	G	H	-0.5090
10	G	H	-0.3286
11	L	H	-0.1042
12	V	H	0.0000
13	Q	H	-1.6877
14	P	H	-1.8336
15	G	H	-1.4981
16	G	H	-1.2062
17	S	H	-1.3906
18	L	H	-1.2132
19	R	H	-2.1145
20	L	H	0.0000
21	S	H	-0.3805
22	C	H	0.0000
23	A	H	-0.0582
24	A	H	0.0000
25	S	H	-1.1078
26	G	H	-1.4470
27	S	H	-0.9557
28	P	H	-0.9945
29	L	H	0.0000
30	S	H	-0.3748
31	G	H	0.2375
32	A	H	0.0000
33	Y	H	0.9719
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	-0.6920
40	A	H	-1.1515
41	P	H	-0.9830
42	G	H	-1.4831
43	K	H	-2.2971
44	G	H	-1.4817
45	L	H	0.0000
46	E	H	-0.7326
47	W	H	0.0000
48	V	H	0.0000
49	G	H	0.0000
50	L	H	0.0000
51	I	H	0.0000
52	S	H	0.0000
53	A	H	0.0000
54	S	H	0.3115
55	L	H	0.9417
56	G	H	-0.1106
57	G	H	-0.6169
58	S	H	-0.3467
59	T	H	-0.2427
60	A	H	0.0986
61	T	H	0.2588
62	I	H	0.0586
63	Y	H	-0.9911
64	D	H	-1.6495
65	P	H	-1.9048
66	K	H	-2.6041
67	F	H	0.0000
68	Q	H	-2.6650
69	D	H	-2.9885
70	R	H	-2.1517
71	A	H	0.0000
72	T	H	-0.9756
73	I	H	0.0000
74	S	H	-0.4269
75	A	H	-1.0170
76	D	H	-1.9175
77	N	H	-2.4490
78	S	H	-1.9670
79	K	H	-2.5762
80	N	H	-1.9807
81	T	H	0.0000
82	A	H	0.0000
83	Y	H	0.0000
84	L	H	0.0000
85	Q	H	-1.2749
86	M	H	0.0000
87	N	H	-1.7506
88	S	H	-1.4785
89	L	H	0.0000
90	R	H	-2.5730
91	A	H	-1.8553
92	E	H	-2.3152
93	D	H	0.0000
94	T	H	-0.7828
95	A	H	0.0000
96	V	H	0.1603
97	Y	H	0.0000
98	Y	H	0.0000
99	C	H	0.0000
100	A	H	0.0000
101	R	H	0.0000
102	L	H	0.9902
103	Y	H	1.2563
104	V	H	1.5455
105	D	H	0.2170
106	S	H	-0.1873
107	A	H	-0.1692
108	G	H	-0.0527
109	T	H	0.0313
110	L	H	0.0000
111	V	H	0.8085
112	G	H	0.4566
113	V	H	-0.3462
114	W	H	-0.3575
115	G	H	0.0000
116	Q	H	-1.2628
117	G	H	0.0000
118	T	H	0.0280
119	L	H	0.0857
120	V	H	0.0000
121	T	H	-0.5036
122	V	H	0.0000
123	S	H	-1.0092
124	S	H	-0.7143
125	A	H	-0.4741
126	S	H	-0.5847
127	T	H	-0.7845
128	K	H	-1.2794
129	G	H	-1.3682
130	P	H	-0.6164
131	S	H	-0.4215
132	V	H	0.0000
133	F	H	0.0000
134	P	H	-1.1257
135	L	H	0.0000
136	A	H	-1.1033
137	P	H	0.0000
138	S	H	-0.8696
139	S	H	-0.6316
140	K	H	-1.1307
141	S	H	0.0000
142	T	H	-0.7365
143	S	H	-0.7835
144	G	H	-0.8372
145	G	H	-0.8979
146	T	H	-0.6049
147	A	H	0.0000
148	A	H	0.0000
149	L	H	0.0000
150	G	H	0.0000
151	C	H	0.0000
152	L	H	0.0000
153	V	H	0.0000
154	K	H	0.0000
155	D	H	-0.3499
156	Y	H	0.0000
157	F	H	0.0000
158	P	H	0.0000
159	E	H	-0.4991
160	P	H	-0.6130
161	V	H	-0.7139
162	T	H	-0.6333
163	V	H	-0.4108
164	S	H	-0.3979
165	W	H	0.0000
166	N	H	-0.7087
167	S	H	-0.6276
168	G	H	-0.4900
169	A	H	-0.2484
170	L	H	-0.0189
171	T	H	-0.1882
172	S	H	-0.1926
173	G	H	-0.2280
174	V	H	0.1272
175	H	H	-0.2887
176	T	H	-0.1639
177	F	H	0.0000
178	P	H	-0.2215
179	A	H	0.2837
180	V	H	0.5823
181	L	H	1.1668
182	Q	H	0.2955
183	S	H	-0.1047
184	S	H	-0.2119
185	G	H	0.0422
186	L	H	0.1435
187	Y	H	0.4939
188	S	H	0.0000
189	L	H	0.0000
190	S	H	0.0000
191	S	H	0.0000
192	V	H	0.0000
193	V	H	0.0000
194	T	H	-0.1309
195	V	H	0.0000
196	P	H	-0.5206
197	S	H	-0.5559
198	S	H	-0.5425
199	S	H	-0.5670
200	L	H	-0.6863
201	G	H	-1.0189
202	T	H	-0.7006
203	Q	H	-1.1553
204	T	H	-1.1006
205	Y	H	0.0000
206	I	H	-1.1221
207	C	H	0.0000
208	N	H	-1.3959
209	V	H	0.0000
210	N	H	-2.0557
211	H	H	0.0000
212	K	H	-2.7576
213	P	H	-1.6098
214	S	H	-1.8649
215	N	H	-2.5977
216	T	H	-2.0952
217	K	H	-2.6971
218	V	H	-1.5027
219	D	H	-2.2430
220	K	H	-1.9574
221	K	H	-2.3941
222	V	H	0.0000
223	E	H	-2.7345
224	P	H	-1.5943
225	K	H	-1.8924
226	S	H	-1.4485
227	C	H	-1.0813
228	D	H	-2.5480
229	K	H	-2.7543
230	T	H	-1.7555
231	H	H	-1.7788
232	T	H	-0.8237
1	D	L	-1.9144
2	I	L	-1.2357
3	Q	L	-1.7605
4	M	L	0.0000
5	T	L	-1.1228
6	Q	L	0.0000
7	S	L	-0.6693
8	P	L	-0.5638
9	S	L	-0.7551
10	S	L	-0.7706
11	L	L	-0.6133
12	S	L	-1.0275
13	A	L	-1.0824
14	S	L	-0.9317
15	V	L	-0.2116
16	G	L	-0.8563
17	D	L	-1.8676
18	R	L	-2.3632
19	V	L	0.0000
20	T	L	-0.6647
21	I	L	0.0000
22	T	L	-0.7004
23	C	L	0.0000
24	K	L	-1.8941
25	L	L	0.0000
26	S	L	-1.2974
27	S	L	-1.0852
28	P	L	-0.9183
29	G	L	-0.7539
30	S	L	-0.6684
31	G	L	-0.9549
32	T	L	-0.2044
33	I	L	0.0186
34	L	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	-1.7675
40	P	L	-1.4520
41	G	L	-1.7494
42	K	L	-2.5182
43	A	L	-1.6202
44	P	L	0.0000
45	K	L	-1.3113
46	V	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.1428
50	G	L	-1.0958
51	K	L	-1.8864
52	V	L	-0.8145
53	S	L	-0.7394
54	G	L	-0.6938
55	V	L	-0.5032
56	P	L	-0.5267
57	S	L	-0.7240
58	R	L	-0.7945
59	F	L	0.0000
60	S	L	-0.8327
61	G	L	-0.8508
62	S	L	-0.8686
63	G	L	-1.2288
64	S	L	-1.1199
65	G	L	-1.2310
66	T	L	-1.4590
67	D	L	-2.0391
68	Y	L	-1.1508
69	T	L	-0.7563
70	L	L	0.0000
71	T	L	-0.6725
72	I	L	0.0000
73	S	L	-1.3095
74	S	L	-1.2061
75	L	L	0.0000
76	Q	L	-1.0438
77	P	L	-1.5226
78	E	L	-1.9907
79	D	L	0.0000
80	F	L	0.0000
81	A	L	0.0000
82	T	L	-0.7178
83	Y	L	0.0000
84	Y	L	0.0000
85	C	L	0.0000
86	A	L	0.0000
87	Y	L	0.0000
88	M	L	-0.7763
89	H	L	-1.8644
90	R	L	-2.2315
91	G	L	-1.1801
92	I	L	0.0000
93	T	L	-0.8506
94	F	L	-0.2557
95	G	L	0.0000
96	Q	L	-1.4869
97	G	L	0.0000
98	T	L	0.0000
99	K	L	-1.2733
100	V	L	0.0000
101	E	L	-1.2568
102	I	L	0.0000
103	K	L	-1.4541
104	R	L	-0.8830
105	T	L	-0.1629
106	V	L	0.1478
107	A	L	-0.1459
108	A	L	-0.1637
109	P	L	0.0000
110	S	L	-0.2527
111	V	L	0.0000
112	F	L	0.0000
113	I	L	0.0000
114	F	L	0.0000
115	P	L	-0.5381
116	P	L	0.0000
117	S	L	0.0000
118	D	L	-2.9987
119	E	L	-2.8563
120	Q	L	0.0000
121	L	L	-2.2174
122	K	L	-2.8009
123	S	L	-1.7644
124	G	L	-1.2858
125	T	L	-0.9744
126	A	L	0.0000
127	S	L	0.0000
128	V	L	0.0000
129	V	L	0.0000
130	C	L	0.0000
131	L	L	0.0000
132	L	L	0.0000
133	N	L	0.0000
134	N	L	-0.8740
135	F	L	0.0000
136	Y	L	0.0000
137	P	L	-1.8223
138	R	L	-3.1295
139	E	L	-3.3021
140	A	L	-2.3709
141	K	L	-2.4301
142	V	L	-0.9935
143	Q	L	-0.5461
144	W	L	0.0000
145	K	L	-0.4957
146	V	L	0.0000
147	D	L	-1.7428
148	N	L	-1.4518
149	A	L	-0.2690
150	L	L	0.6595
151	Q	L	-0.2082
152	S	L	-0.4159
153	G	L	-0.8741
154	N	L	-0.7892
155	S	L	-0.9736
156	Q	L	-1.1155
157	E	L	-1.3698
158	S	L	-0.7065
159	V	L	-0.6324
160	T	L	-1.0043
161	E	L	-1.9701
162	Q	L	0.0000
163	D	L	-1.8267
164	S	L	-2.1057
165	K	L	-2.4244
166	D	L	-1.5736
167	S	L	0.0000
168	T	L	0.0000
169	Y	L	0.0000
170	S	L	0.0000
171	L	L	0.0000
172	S	L	0.0000
173	S	L	0.0000
174	T	L	-0.5485
175	L	L	0.0000
176	T	L	-0.3589
177	L	L	-0.5257
178	S	L	-1.0562
179	K	L	-1.8438
180	A	L	-1.6370
181	D	L	-2.0662
182	Y	L	0.0000
183	E	L	-3.2163
184	K	L	-3.3336
185	H	L	-2.7063
186	K	L	-2.9810
187	V	L	-1.5877
188	Y	L	0.0000
189	A	L	0.0000
190	C	L	0.0000
191	E	L	-0.5359
192	V	L	0.0000
193	T	L	-1.1829
194	H	L	0.0000
195	Q	L	-1.8177
196	G	L	-0.5026
197	L	L	-0.2694
198	S	L	-0.4635
199	S	L	-0.4184
200	P	L	-0.5254
201	V	L	0.1273
202	T	L	-0.3007
203	K	L	-0.6689
204	S	L	-0.6581
205	F	L	0.0000
206	N	L	-1.6639
207	R	L	-2.2812
208	G	L	-1.7784
209	E	L	-1.9717
210	C	L	-0.7486