Trastuzumab / 7t99

A4DAB277_7t99_C_D | Source PDB: 7t99 | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7118
Max Score
2.1286
Min Score
-3.2965
Total Score
-306.78
Score CDR
-0.5096
Score non-CDR
-0.7365

Calculation Parameters

Chain Sequence(s) VQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLCSPVTKCFNRG input.pdb
Selected Chain(s) C (Heavy), D (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 -3.2965
Maximum Score 2.1286
Average Score -0.7118
Total Score -306.781

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

Index Residue Chain A4D Score Classification
2 V C 0.6634 Aggregation-prone
3 Q C -0.1694 Soluble
4 L C 0.0000 Buried
5 V C 0.8470 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3161 Soluble
8 G C -1.0200 Soluble
9 G C -0.5939 Soluble
11 G C -0.3552 Soluble
12 L C -0.1606 Soluble
13 V C 0.0000 Buried
14 Q C -1.7234 Soluble
15 P C -1.7762 Soluble
16 G C -1.7365 Soluble
17 G C 0.0000 Buried
18 S C -1.5572 Soluble
19 L C -1.3895 Soluble
20 R C -2.3776 Soluble
21 L C 0.0000 Buried
22 S C -0.4280 Soluble
23 C C 0.0000 Buried
24 A C -0.0690 Soluble
25 A C 0.0000 Buried
26 S C -0.5237 Soluble
27 G C -0.4333 Soluble
28 F C -0.8554 Soluble
29 N C -2.0697 Soluble
30 I C 0.0000 Buried
35 K C -2.2545 Soluble
36 D C -2.7538 Soluble
37 T C 0.0000 Buried
38 Y C -0.3785 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7613 Soluble
45 A C -1.2449 Soluble
46 P C -1.0351 Soluble
47 G C -1.4779 Soluble
48 K C -2.3763 Soluble
49 G C -1.5980 Soluble
50 L C 0.0000 Buried
51 E C -0.8620 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 R C -0.5251 Soluble
56 I C 0.0000 Buried
57 Y C -0.4027 Soluble
58 P C 0.0000 Buried
59 T C -1.0256 Soluble
62 N C -0.8769 Soluble
63 G C -0.3107 Soluble
64 Y C 0.4840 Aggregation-prone
65 T C -0.4589 Soluble
66 R C -1.9393 Soluble
67 Y C -1.7070 Soluble
68 A C 0.0000 Buried
69 D C -2.6368 Soluble
70 S C -1.7394 Soluble
71 V C 0.0000 Buried
72 K C -2.8202 Soluble
74 G C -1.9023 Soluble
75 R C -2.0186 Soluble
76 F C 0.0000 Buried
77 T C -1.3815 Soluble
78 I C 0.0000 Buried
79 S C -0.1447 Soluble
80 A C -0.5771 Soluble
81 D C -1.1223 Soluble
82 T C -1.3357 Soluble
83 S C -1.4270 Soluble
84 K C -2.1682 Soluble
85 N C -1.6951 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.6515 Soluble
89 L C 0.0000 Buried
90 Q C -1.8852 Soluble
91 M C 0.0000 Buried
92 N C -2.3256 Soluble
93 S C -1.7399 Soluble
94 L C 0.0000 Buried
95 R C -2.7743 Soluble
96 A C -1.7201 Soluble
97 E C -2.3377 Soluble
98 D C 0.0000 Buried
99 T C -0.8195 Soluble
100 A C 0.0000 Buried
101 V C 0.1571 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 S C 0.0000 Buried
106 R C -0.0568 Soluble
107 W C 0.0000 Buried
108 G C -0.5423 Soluble
109 G C -1.2528 Soluble
110 D C -2.1174 Soluble
111 G C -0.9806 Soluble
112 F C -0.0409 Soluble
113 Y C 0.4520 Aggregation-prone
114 A C 0.0000 Buried
115 M C 0.0000 Buried
116 D C -0.0451 Soluble
117 Y C -0.0580 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.3621 Soluble
121 G C 0.0000 Buried
122 T C -0.0710 Soluble
123 L C -0.0448 Soluble
124 V C 0.0000 Buried
125 T C -0.5380 Soluble
126 V C 0.0000 Buried
127 S C -0.7873 Soluble
128 S C -0.8371 Soluble
129 A C -0.3955 Soluble
130 S C -0.4592 Soluble
131 T C -0.5016 Soluble
132 K C -0.9875 Soluble
133 G C -1.2903 Soluble
134 P C -0.5310 Soluble
135 S C -0.2622 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1324 Soluble
139 L C 0.0000 Buried
140 A C -1.1492 Soluble
141 P C 0.0000 Buried
142 S C -1.1817 Soluble
143 S C -1.6490 Soluble
144 K C -2.1141 Soluble
145 S C -1.3143 Soluble
146 T C -0.9988 Soluble
147 S C -0.8827 Soluble
148 G C -0.8613 Soluble
149 G C -0.7332 Soluble
150 T C -0.5090 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.3639 Soluble
160 Y C 0.0000 Buried
161 F C -0.1659 Soluble
162 P C 0.0000 Buried
163 E C -0.6231 Soluble
164 P C -0.8060 Soluble
165 V C -0.6514 Soluble
166 T C -0.5531 Soluble
167 V C -0.3378 Soluble
168 S C -0.4022 Soluble
169 W C 0.0000 Buried
170 N C -0.7728 Soluble
171 S C -0.7036 Soluble
172 G C -0.5392 Soluble
173 A C -0.2114 Soluble
174 L C 0.0215 Aggregation-prone
175 T C -0.1777 Soluble
176 S C -0.2009 Soluble
177 G C -0.2955 Soluble
178 V C 0.0862 Aggregation-prone
179 H C -0.3041 Soluble
180 T C 0.0097 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.3971 Soluble
183 A C 0.3754 Aggregation-prone
184 V C 0.5816 Aggregation-prone
185 L C 1.3225 Aggregation-prone
186 Q C 0.3362 Aggregation-prone
187 S C -0.0571 Soluble
188 S C -0.2085 Soluble
189 G C 0.0943 Aggregation-prone
190 L C 0.2350 Aggregation-prone
191 Y C 0.4983 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1175 Soluble
199 V C 0.0000 Buried
200 P C -0.5267 Soluble
201 S C -0.6768 Soluble
202 S C -0.8041 Soluble
203 S C -0.8346 Soluble
204 L C 0.0000 Buried
205 G C -1.1490 Soluble
206 T C -0.9228 Soluble
207 Q C -1.5777 Soluble
208 T C -1.2515 Soluble
209 Y C 0.0000 Buried
210 I C -1.2410 Soluble
211 C C 0.0000 Buried
212 N C -1.6365 Soluble
213 V C 0.0000 Buried
214 N C -1.8358 Soluble
215 H C 0.0000 Buried
216 K C -2.8134 Soluble
217 P C -1.6258 Soluble
218 S C -1.7614 Soluble
219 N C -2.6365 Soluble
220 T C -2.0620 Soluble
221 K C -2.7303 Soluble
222 V C -1.6783 Soluble
223 D C -2.5836 Soluble
224 K C -2.1475 Soluble
225 K C -2.3758 Soluble
226 V C 0.0000 Buried
227 E C -2.7176 Soluble
228 P C -1.9801 Soluble
229 K C -2.4580 Soluble
1 D D -2.1228 Soluble
2 I D 0.0000 Buried
3 Q D -2.1329 Soluble
4 M D 0.0000 Buried
5 T D -1.4157 Soluble
6 Q D 0.0000 Buried
7 S D -0.8130 Soluble
8 P D -0.7493 Soluble
9 S D -1.0655 Soluble
10 S D -1.0882 Soluble
11 L D -0.7725 Soluble
12 S D -1.0542 Soluble
13 A D -1.2697 Soluble
14 S D -1.2399 Soluble
15 V D -0.1314 Soluble
16 G D -0.8818 Soluble
17 D D -2.1433 Soluble
18 R D -2.4303 Soluble
19 V D 0.0000 Buried
20 T D -0.5290 Soluble
21 I D 0.0000 Buried
22 T D -0.8085 Soluble
23 C D 0.0000 Buried
24 R D -2.8653 Soluble
25 A D 0.0000 Buried
26 S D -2.2428 Soluble
27 Q D -2.8445 Soluble
28 D D -2.9061 Soluble
29 V D 0.0000 Buried
36 N D -1.8857 Soluble
37 T D -0.6853 Soluble
38 A D -0.0470 Soluble
39 V D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -1.2819 Soluble
44 Q D 0.0000 Buried
45 K D -2.4592 Soluble
46 P D -1.7001 Soluble
47 G D -1.9239 Soluble
48 K D -2.7434 Soluble
49 A D -1.7471 Soluble
50 P D 0.0000 Buried
51 K D -1.8289 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 1.1662 Aggregation-prone
56 S D 0.5738 Aggregation-prone
57 A D 0.0000 Buried
65 S D 0.7337 Aggregation-prone
66 F D 2.1286 Aggregation-prone
67 L D 1.5076 Aggregation-prone
68 Y D 0.6258 Aggregation-prone
69 S D 0.0379 Aggregation-prone
70 G D -0.3890 Soluble
71 V D -0.2586 Soluble
72 P D -0.2771 Soluble
74 S D -0.3413 Soluble
75 R D -0.7518 Soluble
76 F D 0.0000 Buried
77 S D 0.1161 Aggregation-prone
78 G D 0.1403 Aggregation-prone
79 S D -0.4931 Soluble
80 R D -1.5780 Soluble
83 S D -1.3248 Soluble
84 G D -1.8319 Soluble
85 T D -2.2623 Soluble
86 D D -1.9668 Soluble
87 F D 0.0000 Buried
88 T D -0.7199 Soluble
89 L D 0.0000 Buried
90 T D -0.6028 Soluble
91 I D 0.0000 Buried
92 S D -1.3368 Soluble
93 S D -1.1701 Soluble
94 L D 0.0000 Buried
95 Q D -1.1912 Soluble
96 P D -2.1115 Soluble
97 E D -2.7795 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 T D 0.0000 Buried
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.4313 Aggregation-prone
108 Y D 0.4928 Aggregation-prone
109 T D 0.1594 Aggregation-prone
114 T D -0.5255 Soluble
115 P D -0.9411 Soluble
116 P D 0.0000 Buried
117 T D -0.5277 Soluble
118 F D -0.4889 Soluble
119 G D -1.1601 Soluble
120 Q D -1.7592 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -2.2145 Soluble
124 V D 0.0000 Buried
125 E D -2.0928 Soluble
126 I D 0.0000 Buried
127 K D -1.8474 Soluble
128 R D -1.0693 Soluble
129 T D 0.1105 Aggregation-prone
130 V D 1.1107 Aggregation-prone
131 A D 0.2431 Aggregation-prone
132 A D 0.1270 Aggregation-prone
133 P D 0.0000 Buried
134 S D -0.1187 Soluble
135 V D 0.0000 Buried
136 F D 0.1804 Aggregation-prone
137 I D 0.2157 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5038 Soluble
140 P D -0.8151 Soluble
141 S D -1.5909 Soluble
142 D D -2.8508 Soluble
143 E D -2.8066 Soluble
144 Q D 0.0000 Buried
145 L D -2.1913 Soluble
146 K D -2.8289 Soluble
147 S D -1.7366 Soluble
148 G D -1.3718 Soluble
149 T D -0.9741 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.9249 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.6663 Soluble
162 R D -3.1989 Soluble
163 E D -3.2723 Soluble
164 A D -2.3153 Soluble
165 K D -2.5821 Soluble
166 V D -1.1993 Soluble
167 Q D -0.7727 Soluble
168 W D 0.0000 Buried
169 K D -0.6389 Soluble
170 V D 0.0000 Buried
171 D D -1.8942 Soluble
172 N D -1.6716 Soluble
173 A D -0.5008 Soluble
174 L D 0.3715 Aggregation-prone
175 Q D -0.6951 Soluble
177 G D -0.9233 Soluble
178 N D -0.8258 Soluble
179 S D -1.2024 Soluble
180 Q D -1.4493 Soluble
181 E D -2.1769 Soluble
182 S D -0.9908 Soluble
183 V D -0.7603 Soluble
184 T D -1.0407 Soluble
185 E D -2.1897 Soluble
186 Q D 0.0000 Buried
187 D D -2.1951 Soluble
188 S D -2.4390 Soluble
189 K D -2.8580 Soluble
190 D D -2.3693 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6999 Soluble
199 L D 0.0000 Buried
200 T D -0.4252 Soluble
201 L D -0.6282 Soluble
202 S D -1.3025 Soluble
203 K D -2.1592 Soluble
204 A D -1.8133 Soluble
205 D D -2.4811 Soluble
206 Y D 0.0000 Buried
207 E D -3.1999 Soluble
208 K D -3.2965 Soluble
209 H D -2.6147 Soluble
210 K D -2.5957 Soluble
211 V D -1.0741 Soluble
212 Y D 0.0000 Buried
213 A D -0.4674 Soluble
214 C D 0.0000 Buried
215 E D -0.6758 Soluble
216 V D 0.0000 Buried
217 T D -1.0780 Soluble
218 H D 0.0000 Buried
219 Q D -1.2175 Soluble
220 G D -0.0082 Soluble
221 L D 0.3022 Aggregation-prone
222 C D 0.5062 Aggregation-prone
223 S D 0.0700 Aggregation-prone
224 P D -0.3224 Soluble
225 V D 0.1213 Aggregation-prone
226 T D -0.3230 Soluble
227 K D -0.4183 Soluble
228 C D 0.1835 Aggregation-prone
229 F D -0.3903 Soluble
230 N D -1.6580 Soluble
231 R D -1.8847 Soluble
232 G D -1.1344 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 -0.7065 3.7675 CSV PDB
4.5 -0.7501 3.7675 CSV PDB
5.0 -0.7997 3.7675 CSV PDB
5.5 -0.8457 3.7675 CSV PDB
6.0 -0.8772 3.7675 CSV PDB
6.5 -0.8855 3.7675 CSV PDB
7.0 -0.8708 3.7675 CSV PDB
7.5 -0.8407 3.7675 CSV PDB
8.0 -0.8016 3.7675 CSV PDB
8.5 -0.7554 3.7673 CSV PDB
9.0 -0.7016 3.7669 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH