Project name: parental_tigit

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGTAFYADSVKDRFTISRDNRKNSLYLQMNELRAEDTAVYYCARSTYYYDSSGYDYYFDPWGPGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQHIRSSLAWYQQKPGKAPKLLIYGASSRATGIPDRFSGSGSGTDFTLTISSLQPEDFATYYCQHTYITPYTFGQGTKVEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.4339
• Maximal score value: 2.0169
• Average score: -0.6358
• Total score value: -147.499

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
0	Q	H	-1.2684
1	V	H	-0.6401
2	Q	H	-0.6363
3	L	H	0.0000
4	V	H	1.3494
5	E	H	0.0000
6	S	H	-0.1301
7	G	H	-0.7597
8	G	H	0.1536
9	G	H	0.9353
10	V	H	1.5562
11	V	H	0.0000
12	Q	H	-1.9684
13	P	H	-2.4324
14	G	H	-2.7612
15	E	H	-2.7181
16	S	H	-2.0173
17	L	H	-1.1901
18	K	H	-1.9275
19	I	H	0.0000
20	S	H	-0.3248
21	C	H	0.0000
22	A	H	0.0189
23	A	H	0.0000
24	S	H	-0.5216
25	G	H	-0.8179
26	F	H	-0.2568
27	T	H	-0.1743
28	F	H	0.0000
29	S	H	-0.8973
30	S	H	-0.1885
31	Y	H	0.1585
32	G	H	-0.1093
33	M	H	0.0000
34	H	H	0.0000
35	W	H	0.0000
36	V	H	0.0000
37	R	H	0.0000
38	Q	H	-0.7130
39	A	H	-1.0439
40	P	H	-0.9821
41	G	H	-1.5032
42	K	H	-2.3861
43	G	H	-1.6196
44	L	H	0.0000
45	E	H	-1.2016
46	W	H	0.0000
47	V	H	0.0000
48	S	H	0.0000
49	A	H	0.0000
50	I	H	0.0000
51	S	H	-0.2281
52	G	H	-0.5053
53	S	H	-0.7392
54	G	H	-0.8586
55	G	H	-0.7282
56	T	H	-0.0993
57	A	H	0.5960
58	F	H	1.1995
59	Y	H	-0.2830
60	A	H	0.0000
61	D	H	-2.4736
62	S	H	-1.7306
63	V	H	0.0000
64	K	H	-2.9872
65	D	H	-3.2337
66	R	H	-2.3061
67	F	H	0.0000
68	T	H	-0.8185
69	I	H	0.0000
70	S	H	-0.4056
71	R	H	-1.2990
72	D	H	-2.1448
73	N	H	-2.6142
74	R	H	-3.2764
75	K	H	-3.2178
76	N	H	-2.3706
77	S	H	-1.2950
78	L	H	0.0000
79	Y	H	-0.4495
80	L	H	0.0000
81	Q	H	-1.1051
82	M	H	0.0000
83	N	H	-2.6668
84	E	H	-3.4339
85	L	H	0.0000
86	R	H	-3.1680
87	A	H	-1.9287
88	E	H	-2.3273
89	D	H	0.0000
90	T	H	-0.4207
91	A	H	0.0000
92	V	H	0.8984
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.3960
98	S	H	0.0000
99	T	H	0.3739
100	Y	H	1.7047
101	Y	H	1.9321
102	Y	H	1.2217
103	D	H	-0.7912
104	S	H	-0.8365
105	S	H	-0.5454
106	G	H	-0.1167
107	Y	H	1.5297
108	D	H	1.2759
109	Y	H	1.6372
110	Y	H	0.4438
111	F	H	0.0000
112	D	H	-1.0461
113	P	H	-0.8439
114	W	H	-0.5816
115	G	H	0.0000
116	P	H	-0.3630
117	G	H	0.1845
118	T	H	0.7500
119	L	H	1.7413
120	V	H	0.0000
121	T	H	0.3740
122	V	H	0.0000
123	S	H	-0.6606
124	S	H	-0.5978
125	D	L	-1.9889
126	I	L	0.0000
127	Q	L	-2.1779
128	M	L	0.0000
129	T	L	-1.2799
130	Q	L	0.0000
131	S	L	-0.7297
132	P	L	-0.5967
133	S	L	-0.9557
134	S	L	-1.1317
135	L	L	-0.6512
136	S	L	-0.7034
137	A	L	0.0000
138	S	L	-0.1501
139	V	L	0.7144
140	G	L	-0.7123
141	D	L	-1.6735
142	R	L	-2.3452
143	V	L	0.0000
144	T	L	-0.6347
145	I	L	0.0000
146	T	L	-0.9495
147	C	L	0.0000
148	R	L	-3.0424
149	A	L	0.0000
150	S	L	-2.2535
151	Q	L	-2.8575
152	H	L	-2.5604
153	I	L	0.0000
154	R	L	-2.5871
155	S	L	-1.4374
156	S	L	-0.3678
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-1.1042
162	Q	L	-1.7143
163	K	L	-2.2366
164	P	L	-1.4905
165	G	L	-1.6715
166	K	L	-2.5823
167	A	L	-1.6197
168	P	L	0.0000
169	K	L	-2.2420
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	0.0271
174	G	L	-0.7086
175	A	L	0.0000
176	S	L	-0.7533
177	S	L	-0.7827
178	R	L	-1.6404
179	A	L	-0.9637
180	T	L	-0.6066
181	G	L	-0.9206
182	I	L	0.0000
183	P	L	-1.3916
184	D	L	-2.3108
185	R	L	-1.6226
186	F	L	0.0000
187	S	L	-1.0311
188	G	L	-0.5712
189	S	L	-0.8410
190	G	L	-1.4468
191	S	L	-1.8385
192	G	L	-2.4368
193	T	L	-2.6686
194	D	L	-3.1641
195	F	L	0.0000
196	T	L	-0.9106
197	L	L	0.0000
198	T	L	-0.6128
199	I	L	0.0000
200	S	L	-1.6868
201	S	L	-1.2948
202	L	L	0.0000
203	Q	L	-0.7790
204	P	L	-0.6486
205	E	L	-1.8860
206	D	L	0.0000
207	F	L	-0.5811
208	A	L	0.0000
209	T	L	-1.2844
210	Y	L	0.0000
211	Y	L	0.0000
212	C	L	0.0000
213	Q	L	0.0000
214	H	L	0.0000
215	T	L	1.2383
216	Y	L	1.5259
217	I	L	2.0169
218	T	L	0.9220
219	P	L	0.0355
220	Y	L	0.2395
221	T	L	-0.3931
222	F	L	-0.4480
223	G	L	0.0000
224	Q	L	-1.5876
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1542
228	V	L	0.0000
229	E	L	-0.9090
230	I	L	0.9381
231	K	L	-0.7855