Project name: 22485848111cc9e

Chain sequence(s)	A: SPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFP; B: SPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFP
Selected Chain(s)	A,B
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:50)

• Minimal score value: -5.3907
• Maximal score value: 4.0356
• Average score: -0.2118
• Total score value: -189.5328

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
55	S	A	0.2791
56	P	A	0.6073
57	A	A	1.7046
58	I	A	3.0960
59	P	A	2.4142
60	V	A	2.4901
61	I	A	3.8655
62	I	A	4.0356
63	T	A	2.5343
64	A	A	2.5303
65	V	A	3.0996
66	Y	A	2.1560
67	S	A	0.0000
68	V	A	1.9658
69	V	A	1.5271
70	F	A	0.0000
71	V	A	0.0000
72	V	A	1.6151
73	G	A	0.0000
74	L	A	1.5434
75	V	A	1.9492
76	G	A	1.3051
77	N	A	0.0000
78	S	A	1.1576
79	L	A	1.2314
80	V	A	0.0000
81	M	A	1.1703
82	F	A	1.4835
83	V	A	0.0000
84	I	A	0.0000
85	I	A	1.6131
86	R	A	-0.6252
87	Y	A	-0.4215
88	T	A	-0.8628
89	K	A	-1.9071
90	M	A	-0.9286
91	K	A	-0.6430
92	T	A	-0.5048
93	A	A	0.0000
94	T	A	0.0000
95	N	A	0.0000
96	I	A	0.0000
97	Y	A	0.0000
98	I	A	0.0000
99	F	A	0.7372
100	N	A	0.0000
101	L	A	0.0000
102	A	A	0.0000
103	L	A	0.7148
104	A	A	0.0000
105	D	A	0.0000
106	A	A	0.0000
107	L	A	0.6210
108	V	A	0.0000
109	T	A	0.0000
110	T	A	0.3449
111	T	A	0.0000
112	M	A	0.0000
113	P	A	0.0000
114	F	A	0.6448
115	Q	A	0.4314
116	S	A	0.8302
117	T	A	0.0000
118	V	A	1.0109
119	Y	A	1.6373
120	L	A	2.4273
121	M	A	1.5536
122	N	A	-0.2014
123	S	A	-0.1318
124	W	A	0.0000
125	P	A	-0.2924
126	F	A	0.0000
127	G	A	-0.5285
128	D	A	-0.3762
129	V	A	1.6698
130	L	A	1.4121
131	C	A	0.0000
132	K	A	1.5585
133	I	A	2.1122
134	V	A	1.0571
135	L	A	0.7501
136	S	A	0.0000
137	I	A	0.4301
138	D	A	-0.9324
139	Y	A	0.0000
140	Y	A	0.3611
141	N	A	0.0000
142	M	A	-0.0833
143	F	A	0.0000
144	T	A	0.0000
145	S	A	0.0000
146	I	A	0.0000
147	F	A	1.0465
148	T	A	0.0000
149	L	A	0.0000
150	T	A	1.0837
151	M	A	0.7144
152	M	A	0.0000
153	S	A	0.0000
154	V	A	1.3608
155	D	A	0.0000
156	R	A	0.0000
157	Y	A	1.2987
158	I	A	1.3514
159	A	A	0.0000
160	V	A	0.0000
161	C	A	0.6075
162	H	A	0.2234
163	P	A	0.2442
164	V	A	0.8765
165	K	A	-0.8532
166	A	A	0.0971
167	L	A	0.6131
168	D	A	-0.7424
169	F	A	0.1592
170	R	A	-1.9898
171	T	A	-1.6432
172	P	A	-0.9535
173	L	A	-1.2726
174	K	A	-1.9160
175	A	A	0.0000
176	K	A	-1.2677
177	I	A	0.5240
178	I	A	0.7491
179	N	A	0.0000
180	I	A	2.5457
181	C	A	2.3226
182	I	A	0.0000
183	W	A	2.3243
184	L	A	3.0835
185	L	A	2.6981
186	S	A	0.0000
187	S	A	1.6573
188	S	A	1.0632
189	V	A	1.1520
190	G	A	0.0000
191	I	A	2.4098
192	S	A	1.5583
193	A	A	0.0000
194	I	A	2.6990
195	V	A	2.5499
196	L	A	1.1284
197	G	A	0.0000
198	G	A	-0.4511
199	T	A	-1.2998
200	K	A	-2.0587
201	V	A	-0.8345
202	R	A	-2.8374
203	E	A	-3.1196
204	D	A	-2.5395
205	V	A	-0.9059
206	D	A	-1.7223
207	V	A	-1.1642
208	I	A	-0.8500
209	E	A	-1.5307
210	C	A	-0.8330
211	S	A	-0.9126
212	L	A	0.0000
213	Q	A	-1.3265
214	F	A	0.0000
215	P	A	-2.0233
216	D	A	-3.3426
217	D	A	-3.1344
218	D	A	-2.3721
219	Y	A	-1.3681
220	S	A	-0.4695
221	W	A	0.8268
222	W	A	0.8374
223	D	A	0.5608
224	L	A	1.5486
225	F	A	1.9438
226	M	A	1.2352
227	K	A	1.2248
228	I	A	2.0385
229	C	A	1.6588
230	V	A	0.0000
231	F	A	2.0523
232	I	A	2.4364
233	F	A	2.8774
234	A	A	0.0000
235	F	A	2.2301
236	V	A	2.4732
237	I	A	3.1962
238	P	A	0.0000
239	V	A	0.0000
240	L	A	3.3118
241	I	A	3.3023
242	I	A	0.0000
243	I	A	3.2346
244	V	A	2.9877
245	C	A	0.0000
246	Y	A	0.0000
247	T	A	1.6440
248	L	A	1.7446
249	M	A	0.0000
250	I	A	1.2944
251	L	A	1.2029
252	R	A	0.3313
253	L	A	0.0000
254	K	A	-0.7451
255	S	A	0.1110
256	V	A	0.6960
257	R	A	-0.4021
258	L	A	0.4624
259	L	A	1.2697
260	S	A	0.1182
261	G	A	-0.5018
1002	N	A	-0.9968
1003	I	A	-0.8096
1004	F	A	-0.8320
1005	E	A	-1.1984
1006	M	A	0.0000
1007	L	A	0.0000
1008	R	A	-1.1536
1009	I	A	0.2910
1010	D	A	-0.5639
1011	E	A	-0.8251
1012	G	A	-0.8686
1013	L	A	-1.4401
1014	R	A	-2.3393
1015	L	A	-1.4735
1016	K	A	-1.6558
1017	I	A	0.0000
1018	Y	A	-1.2950
1019	K	A	-2.3422
1020	D	A	-2.4737
1021	T	A	-1.8244
1022	E	A	-2.7700
1023	G	A	-2.3706
1024	Y	A	-1.7168
1025	Y	A	-1.1180
1026	T	A	0.0000
1027	I	A	0.0000
1028	G	A	0.0000
1029	I	A	0.0000
1030	G	A	-0.8083
1031	H	A	-0.2223
1032	L	A	-0.1105
1033	L	A	0.0000
1034	T	A	-0.8514
1035	K	A	-2.1130
1036	S	A	-1.0598
1037	P	A	-0.7166
1038	S	A	-0.5518
1039	L	A	-0.3098
1040	N	A	-1.5120
1041	A	A	-1.2220
1042	A	A	0.0000
1043	K	A	-1.8774
1044	S	A	-2.0783
1045	E	A	-2.0493
1046	L	A	0.0000
1047	D	A	-2.4284
1048	K	A	-2.7043
1049	A	A	-1.6643
1050	I	A	-1.3033
1051	G	A	-1.5922
1052	R	A	-2.1688
1053	N	A	-2.3470
1054	T	A	0.0000
1055	N	A	-1.9083
1056	G	A	0.0000
1057	V	A	-0.3073
1058	I	A	0.0000
1059	T	A	-1.8920
1060	K	A	-3.1037
1061	D	A	-3.4259
1062	E	A	-2.3834
1063	A	A	0.0000
1064	E	A	-3.3039
1065	K	A	-3.6095
1066	L	A	0.0000
1067	F	A	0.0000
1068	N	A	-3.1308
1069	Q	A	-3.0538
1070	D	A	-2.2766
1071	V	A	-1.7207
1072	D	A	-2.9271
1073	A	A	-1.9179
1074	A	A	0.0000
1075	V	A	-1.8453
1076	R	A	-2.7662
1077	G	A	-2.0671
1078	I	A	0.0000
1079	L	A	-2.0616
1080	R	A	-2.7580
1081	N	A	-2.1269
1082	A	A	-1.3584
1083	K	A	-2.0186
1084	L	A	0.0000
1085	K	A	-2.4222
1086	P	A	-1.8177
1087	V	A	0.0000
1088	Y	A	-1.5950
1089	D	A	-2.3225
1090	S	A	-1.7837
1091	L	A	0.0000
1092	D	A	-0.8941
1093	A	A	-0.4412
1094	V	A	0.0000
1095	R	A	0.0000
1096	R	A	-0.9391
1097	A	A	0.0000
1098	A	A	0.0000
1099	L	A	0.0000
1100	I	A	0.0000
1101	N	A	0.0000
1102	M	A	0.0000
1103	V	A	0.0000
1104	F	A	-0.0262
1105	Q	A	-0.3034
1106	M	A	-0.0266
1107	G	A	-0.3959
1108	E	A	-1.2128
1109	T	A	-0.7288
1110	G	A	-0.4841
1111	V	A	0.0000
1112	A	A	0.0000
1113	G	A	-0.8366
1114	F	A	-0.8283
1115	T	A	-1.3636
1116	N	A	-1.9731
1117	S	A	0.0000
1118	L	A	0.0000
1119	R	A	-3.1830
1120	M	A	0.0000
1121	L	A	0.0000
1122	Q	A	-2.7411
1123	Q	A	-2.6881
1124	K	A	-2.7580
1125	R	A	-2.7595
1126	W	A	-2.2119
1127	D	A	-2.4866
1128	E	A	-1.9155
1129	A	A	0.0000
1130	A	A	-1.1130
1131	V	A	0.3045
1132	N	A	-0.6254
1133	L	A	0.0000
1134	A	A	-1.0955
1135	K	A	-1.9873
1136	S	A	-1.9319
1137	R	A	-2.9658
1138	W	A	0.0000
1139	Y	A	-2.3667
1140	N	A	-2.9371
1141	Q	A	-2.4489
1142	T	A	-1.8537
1143	P	A	-2.1358
1144	N	A	-2.2573
1145	R	A	0.0000
1146	A	A	0.0000
1147	K	A	-2.2083
1148	R	A	-1.7598
1149	V	A	0.0000
1150	I	A	0.0000
1151	T	A	-1.4936
1152	T	A	0.0000
1153	F	A	0.0000
1154	R	A	-2.3147
1155	T	A	-1.1281
1156	G	A	0.0000
1157	T	A	0.0000
1158	W	A	0.0000
1159	D	A	-2.2003
1160	A	A	-1.5031
1161	Y	A	-1.4235
263	R	A	-3.0188
264	E	A	-3.6789
265	K	A	-4.0020
266	D	A	-4.1286
267	R	A	-4.0315
268	N	A	-3.2862
269	L	A	-2.4772
270	R	A	-3.4174
271	R	A	-2.5740
272	I	A	-1.4268
273	T	A	0.0000
274	R	A	-2.0340
275	L	A	0.0000
276	V	A	0.0000
277	L	A	0.1034
278	V	A	0.2511
279	V	A	0.0000
280	V	A	0.0000
281	A	A	1.1539
282	V	A	1.2741
283	F	A	0.0000
284	V	A	1.3942
285	V	A	2.1224
286	C	A	0.0000
287	W	A	1.1719
288	T	A	1.2103
289	P	A	1.4091
290	I	A	1.7186
291	H	A	0.0000
292	I	A	2.0778
293	F	A	1.5825
294	I	A	1.4820
295	L	A	1.9204
296	V	A	1.9970
297	E	A	-0.1632
298	A	A	0.9423
299	L	A	1.6203
300	G	A	0.0975
301	S	A	-0.2712
307	A	A	0.4845
308	A	A	0.7779
309	L	A	1.7734
310	S	A	1.1996
311	S	A	1.3091
312	Y	A	1.7548
313	Y	A	1.9443
314	F	A	2.5238
315	C	A	0.0000
316	I	A	1.3391
317	A	A	1.6715
318	L	A	1.2553
319	G	A	0.9131
320	Y	A	0.6237
321	T	A	0.7229
322	N	A	0.0000
323	S	A	0.0000
324	S	A	0.0000
325	L	A	0.9426
326	N	A	0.0000
327	P	A	0.0000
328	I	A	1.7163
329	L	A	1.5525
330	Y	A	0.0000
331	A	A	0.0000
332	F	A	1.9500
333	L	A	0.6996
334	D	A	0.0000
335	E	A	-1.6182
336	N	A	-1.4875
337	F	A	0.0000
338	K	A	-1.3221
339	R	A	-2.7283
340	C	A	0.0000
341	F	A	0.0000
342	R	A	-1.8458
343	D	A	-2.0133
344	F	A	-0.2276
345	C	A	-0.1479
346	F	A	-0.8752
347	P	A	-0.8963
55	S	B	0.2109
56	P	B	0.4052
57	A	B	1.4990
58	I	B	2.8329
59	P	B	2.1532
60	V	B	2.3375
61	I	B	3.4882
62	I	B	3.7177
63	T	B	2.2996
64	A	B	2.0686
65	V	B	2.7227
66	Y	B	1.9696
67	S	B	0.0000
68	V	B	1.6616
69	V	B	1.3486
70	F	B	0.0000
71	V	B	0.0000
72	V	B	1.6999
73	G	B	0.0000
74	L	B	1.6451
75	V	B	2.2690
76	G	B	1.4128
77	N	B	0.0000
78	S	B	1.3117
79	L	B	1.6081
80	V	B	0.0000
81	M	B	1.1457
82	F	B	1.5913
83	V	B	0.0000
84	I	B	0.0000
85	I	B	1.0460
86	R	B	-0.8887
87	Y	B	-0.6574
88	T	B	-1.1000
89	K	B	-1.9569
90	M	B	0.0000
91	K	B	-0.9045
92	T	B	-0.5499
93	A	B	0.0000
94	T	B	0.0000
95	N	B	0.0000
96	I	B	0.0000
97	Y	B	0.0000
98	I	B	0.0000
99	F	B	0.7898
100	N	B	0.0000
101	L	B	0.0000
102	A	B	0.0000
103	L	B	0.7297
104	A	B	0.0000
105	D	B	0.0000
106	A	B	0.0000
107	L	B	0.6301
108	V	B	0.0000
109	T	B	0.0000
110	T	B	0.3539
111	T	B	0.0000
112	M	B	0.0000
113	P	B	0.0000
114	F	B	0.6632
115	Q	B	0.5396
116	S	B	0.9063
117	T	B	0.0000
118	V	B	1.0786
119	Y	B	1.9647
120	L	B	2.5531
121	M	B	1.6532
122	N	B	0.1284
123	S	B	-0.1592
124	W	B	0.0000
125	P	B	-0.3032
126	F	B	0.0000
127	G	B	-0.4069
128	D	B	-0.2814
129	V	B	1.7182
130	L	B	1.3647
131	C	B	0.0000
132	K	B	1.2982
133	I	B	1.8243
134	V	B	0.8531
135	L	B	0.4631
136	S	B	0.0000
137	I	B	0.3375
138	D	B	-0.8666
139	Y	B	0.0000
140	Y	B	0.5776
141	N	B	0.0000
142	M	B	-0.0363
143	F	B	0.0000
144	T	B	0.0000
145	S	B	0.0000
146	I	B	0.0000
147	F	B	1.0825
148	T	B	0.0000
149	L	B	0.0000
150	T	B	0.0000
151	M	B	0.5726
152	M	B	0.0000
153	S	B	0.0000
154	V	B	0.8051
155	D	B	0.0000
156	R	B	0.0000
157	Y	B	0.7695
158	I	B	0.4348
159	A	B	0.3756
160	V	B	0.0000
161	C	B	0.3583
162	H	B	0.1667
163	P	B	0.3677
164	V	B	1.0398
165	K	B	-0.9114
166	A	B	-0.0542
167	L	B	0.6132
168	D	B	-1.3302
169	F	B	-0.5522
170	R	B	-0.5077
171	T	B	-0.2863
172	P	B	0.0828
173	L	B	0.9182
174	K	B	-0.3220
175	A	B	0.0000
176	K	B	0.4370
177	I	B	1.5436
178	I	B	1.4086
179	N	B	0.0000
180	I	B	2.7397
181	C	B	2.5065
182	I	B	0.0000
183	W	B	2.2110
184	L	B	3.1098
185	L	B	2.7277
186	S	B	0.0000
187	S	B	1.6581
188	S	B	1.0622
189	V	B	1.1999
190	G	B	0.0000
191	I	B	2.3322
192	S	B	1.5711
193	A	B	0.0000
194	I	B	2.4150
195	V	B	2.4868
196	L	B	1.2373
197	G	B	0.0000
198	G	B	-0.3579
199	T	B	-1.2560
200	K	B	-2.1198
201	V	B	-0.9500
202	R	B	-3.0651
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