Trastuzumab / 1fvc

A4DAB277_1fvc_B_A | Source PDB: 1fvc | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.661
Max Score
2.258
Min Score
-3.0355
Total Score
-151.36
Score CDR
-0.5827
Score non-CDR
-0.6812

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRT input.pdb
Selected Chain(s) B (Heavy), A (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.0355
Maximum Score 2.258
Average Score -0.661
Total Score -151.3584

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E B -1.9263 Soluble
2 V B -0.8659 Soluble
3 Q B -0.8723 Soluble
4 L B 0.0000 Buried
5 V B 0.9798 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.2283 Soluble
8 G B -0.6960 Soluble
9 G B 0.1529 Aggregation-prone
11 G B 0.7109 Aggregation-prone
12 L B 1.4316 Aggregation-prone
13 V B 0.1230 Aggregation-prone
14 Q B -1.0007 Soluble
15 P B -1.4587 Soluble
16 G B -1.3290 Soluble
17 G B -0.8908 Soluble
18 S B -1.1143 Soluble
19 L B -0.7196 Soluble
20 R B -1.6050 Soluble
21 L B 0.0000 Buried
22 S B -0.2426 Soluble
23 C B 0.0000 Buried
24 A B -0.1084 Soluble
25 A B -0.5127 Soluble
26 S B -0.8317 Soluble
27 G B -1.1369 Soluble
28 F B -0.9675 Soluble
29 N B -1.6352 Soluble
30 I B 0.0000 Buried
35 K B -2.4408 Soluble
36 D B -2.7410 Soluble
37 T B 0.0000 Buried
38 Y B -0.1849 Soluble
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.7433 Soluble
45 A B -1.1281 Soluble
46 P B -0.8254 Soluble
47 G B -1.4633 Soluble
48 K B -2.4438 Soluble
49 G B -1.7010 Soluble
50 L B 0.0000 Buried
51 E B -1.3521 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 R B -0.5230 Soluble
56 I B 0.0000 Buried
57 Y B -0.4971 Soluble
58 P B 0.0000 Buried
59 T B -1.3222 Soluble
62 N B -1.1878 Soluble
63 G B -0.4869 Soluble
64 Y B 0.4380 Aggregation-prone
65 T B -0.4788 Soluble
66 R B -1.9645 Soluble
67 Y B -1.8352 Soluble
68 A B -2.0621 Soluble
69 D B -2.6891 Soluble
70 S B -1.7505 Soluble
71 V B 0.0000 Buried
72 K B -2.8683 Soluble
74 G B -1.7799 Soluble
75 R B -1.6061 Soluble
76 F B 0.0000 Buried
77 T B -1.0224 Soluble
78 I B 0.0000 Buried
79 S B -0.1201 Soluble
80 A B -0.6155 Soluble
81 D B -1.3093 Soluble
82 T B -1.6539 Soluble
83 S B -1.4847 Soluble
84 K B -2.1092 Soluble
85 N B -1.5665 Soluble
86 T B -0.8165 Soluble
87 A B 0.0000 Buried
88 Y B -0.4423 Soluble
89 L B 0.0000 Buried
90 Q B -1.0540 Soluble
91 M B 0.0000 Buried
92 N B -1.4480 Soluble
93 S B -1.2347 Soluble
94 L B 0.0000 Buried
95 R B -2.1498 Soluble
96 A B -1.6832 Soluble
97 E B -2.2139 Soluble
98 D B 0.0000 Buried
99 T B -0.2800 Soluble
100 A B 0.0000 Buried
101 V B 0.6976 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 S B 0.0000 Buried
106 R B -0.1321 Soluble
107 W B 0.0000 Buried
108 G B -0.5301 Soluble
109 G B -1.2965 Soluble
110 D B -2.0688 Soluble
111 G B -1.0760 Soluble
112 F B -0.2085 Soluble
113 Y B 0.3082 Aggregation-prone
114 A B 0.0000 Buried
115 M B 0.0000 Buried
116 D B -0.0803 Soluble
117 Y B -0.1057 Soluble
118 W B -0.1101 Soluble
119 G B 0.0000 Buried
120 Q B -1.2697 Soluble
121 G B -0.3640 Soluble
122 T B 0.4823 Aggregation-prone
123 L B 1.5302 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.4951 Aggregation-prone
126 V B 0.0000 Buried
127 S B -0.7279 Soluble
128 S B -0.4156 Soluble
1 D A -2.1422 Soluble
2 I A 0.0000 Buried
3 Q A -2.3888 Soluble
4 M A 0.0000 Buried
5 T A -1.4088 Soluble
6 Q A 0.0000 Buried
7 S A -0.7926 Soluble
8 P A -0.6530 Soluble
9 S A -0.8437 Soluble
10 S A -0.9054 Soluble
11 L A -0.6746 Soluble
12 S A -1.3402 Soluble
13 A A -1.1889 Soluble
14 S A -0.9818 Soluble
15 V A -0.0505 Soluble
16 G A -0.9637 Soluble
17 D A -1.8244 Soluble
18 R A -2.4397 Soluble
19 V A 0.0000 Buried
20 T A -0.5200 Soluble
21 I A 0.0000 Buried
22 T A -0.7711 Soluble
23 C A 0.0000 Buried
24 R A -2.8317 Soluble
25 A A 0.0000 Buried
26 S A -2.3091 Soluble
27 Q A -3.0355 Soluble
28 D A -2.9542 Soluble
29 V A 0.0000 Buried
36 N A -1.9713 Soluble
37 T A -1.0063 Soluble
38 A A -0.0742 Soluble
39 V A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.7609 Soluble
46 P A -1.3137 Soluble
47 G A -1.6461 Soluble
48 K A -2.5762 Soluble
49 A A -1.5481 Soluble
50 P A 0.0000 Buried
51 K A -1.1023 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 1.1785 Aggregation-prone
56 S A 0.4393 Aggregation-prone
57 A A 0.0000 Buried
65 S A 0.7330 Aggregation-prone
66 F A 2.2580 Aggregation-prone
67 L A 1.6259 Aggregation-prone
68 Y A 0.8040 Aggregation-prone
69 S A 0.1096 Aggregation-prone
70 G A -0.3557 Soluble
71 V A -0.0989 Soluble
72 P A -0.2282 Soluble
74 S A -0.3219 Soluble
75 R A -0.7982 Soluble
76 F A 0.0000 Buried
77 S A 0.0635 Aggregation-prone
78 G A -0.0087 Soluble
79 S A -0.7498 Soluble
80 R A -1.8564 Soluble
83 S A -1.2818 Soluble
84 G A -1.8275 Soluble
85 T A -2.2365 Soluble
86 D A -1.8446 Soluble
87 F A 0.0000 Buried
88 T A -0.8255 Soluble
89 L A 0.0000 Buried
90 T A -0.6244 Soluble
91 I A 0.0000 Buried
92 S A -1.3952 Soluble
93 S A -1.3074 Soluble
94 L A 0.0000 Buried
95 Q A -1.1817 Soluble
96 P A -1.0475 Soluble
97 E A -1.8818 Soluble
98 D A 0.0000 Buried
99 F A -0.7652 Soluble
100 A A 0.0000 Buried
101 T A -1.0116 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 H A 0.2602 Aggregation-prone
108 Y A 0.6003 Aggregation-prone
109 T A 0.1502 Aggregation-prone
114 T A -0.5874 Soluble
115 P A -1.2062 Soluble
116 P A 0.0000 Buried
117 T A -0.9040 Soluble
118 F A -0.7988 Soluble
119 G A 0.0000 Buried
120 Q A -1.8244 Soluble
121 G A -1.2680 Soluble
122 T A 0.0000 Buried
123 K A -1.5140 Soluble
124 V A 0.0000 Buried
125 E A -1.6530 Soluble
126 I A -1.2168 Soluble
127 K A -2.4258 Soluble
128 R A -2.6820 Soluble
129 T A -1.3762 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6816 3.9289 CSV PDB
4.5 -0.7236 3.9289 CSV PDB
5.0 -0.7709 3.9289 CSV PDB
5.5 -0.8155 3.9289 CSV PDB
6.0 -0.8487 3.9289 CSV PDB
6.5 -0.8644 3.9289 CSV PDB
7.0 -0.8636 3.9289 CSV PDB
7.5 -0.8524 3.9289 CSV PDB
8.0 -0.8349 3.9289 CSV PDB
8.5 -0.8112 3.9287 CSV PDB
9.0 -0.7801 3.9284 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH