Trastuzumab / 7t97

A4DAB277_7t97_C_D | Source PDB: 7t97 | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7171
Max Score
2.2161
Min Score
-3.7214
Total Score
-309.81
Score CDR
-0.59
Score non-CDR
-0.7327

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSACTKCPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7214
Maximum Score 2.2161
Average Score -0.7171
Total Score -309.8079

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

Index Residue Chain A4D Score Classification
1 E C -2.1996 Soluble
2 V C -1.5733 Soluble
3 Q C -1.4741 Soluble
4 L C 0.0000 Buried
5 V C 0.6603 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.4610 Soluble
8 G C -0.8787 Soluble
9 G C -0.4991 Soluble
11 G C -0.4154 Soluble
12 L C 0.0789 Aggregation-prone
13 V C 0.0000 Buried
14 Q C -1.5622 Soluble
15 P C -1.8134 Soluble
16 G C -1.5091 Soluble
17 G C -1.1601 Soluble
18 S C -1.3814 Soluble
19 L C -1.2673 Soluble
20 R C -2.3039 Soluble
21 L C 0.0000 Buried
22 S C -0.5237 Soluble
23 C C 0.0000 Buried
24 A C -0.2165 Soluble
25 A C 0.0000 Buried
26 S C -1.3152 Soluble
27 G C -1.5857 Soluble
28 F C -1.5480 Soluble
29 N C -2.3469 Soluble
30 I C 0.0000 Buried
35 K C -2.5309 Soluble
36 D C -2.9347 Soluble
37 T C 0.0000 Buried
38 Y C -0.4575 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 -0.8523 Soluble
45 A C -1.2269 Soluble
46 P C -0.9869 Soluble
47 G C -1.4713 Soluble
48 K C -2.3832 Soluble
49 G C -1.6335 Soluble
50 L C 0.0000 Buried
51 E C -1.1098 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 R C -0.6169 Soluble
56 I C 0.0000 Buried
57 Y C -0.4428 Soluble
58 P C 0.0000 Buried
59 T C -1.1143 Soluble
62 N C -0.8138 Soluble
63 G C -0.2857 Soluble
64 Y C 0.5163 Aggregation-prone
65 T C -0.4647 Soluble
66 R C -1.9850 Soluble
67 Y C -1.8141 Soluble
68 A C 0.0000 Buried
69 D C -2.8442 Soluble
70 S C -1.7762 Soluble
71 V C 0.0000 Buried
72 K C -2.8291 Soluble
74 G C -1.7279 Soluble
75 R C -1.3115 Soluble
76 F C 0.0000 Buried
77 T C -1.2464 Soluble
78 I C 0.0000 Buried
79 S C -0.2879 Soluble
80 A C -0.9211 Soluble
81 D C -1.4503 Soluble
82 T C -1.5348 Soluble
83 S C -1.5415 Soluble
84 K C -2.2431 Soluble
85 N C -1.7202 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C 0.0000 Buried
89 L C 0.0000 Buried
90 Q C -1.6697 Soluble
91 M C 0.0000 Buried
92 N C -1.5170 Soluble
93 S C -1.3127 Soluble
94 L C 0.0000 Buried
95 R C -2.4585 Soluble
96 A C -1.7882 Soluble
97 E C -2.2776 Soluble
98 D C 0.0000 Buried
99 T C -0.7447 Soluble
100 A C 0.0000 Buried
101 V C 0.0961 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 -0.3639 Soluble
107 W C 0.0000 Buried
108 G C -0.5138 Soluble
109 G C -1.4324 Soluble
110 D C -2.1114 Soluble
111 G C -1.0284 Soluble
112 F C -0.1613 Soluble
113 Y C 0.3420 Aggregation-prone
114 A C 0.0000 Buried
115 M C 0.0000 Buried
116 D C -0.1855 Soluble
117 Y C -0.3768 Soluble
118 W C -0.5164 Soluble
119 G C 0.0000 Buried
120 Q C -1.4302 Soluble
121 G C -0.6127 Soluble
122 T C -0.0455 Soluble
123 L C 0.2641 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.4740 Soluble
126 V C 0.0000 Buried
127 S C -0.8603 Soluble
128 S C -0.5179 Soluble
129 A C -0.0921 Soluble
130 C C 0.2624 Aggregation-prone
131 T C -0.2224 Soluble
132 K C -1.0383 Soluble
133 C C -0.8437 Soluble
134 P C 0.0000 Buried
135 S C -0.1878 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.0885 Soluble
139 L C 0.0000 Buried
140 A C -1.3058 Soluble
141 P C 0.0000 Buried
142 S C -1.2584 Soluble
143 S C -0.9995 Soluble
144 K C -1.2843 Soluble
145 S C 0.0000 Buried
146 T C -0.7598 Soluble
147 S C -0.7637 Soluble
148 G C -0.8212 Soluble
149 G C -0.8904 Soluble
150 T C -0.5926 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 -0.4475 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.5881 Soluble
164 P C -0.6239 Soluble
165 V C -0.5053 Soluble
166 T C -0.4760 Soluble
167 V C -0.3054 Soluble
168 S C -0.4195 Soluble
169 W C 0.0000 Buried
170 N C -0.8661 Soluble
171 S C -0.7431 Soluble
172 G C -0.6152 Soluble
173 A C -0.2776 Soluble
174 L C -0.0319 Soluble
175 T C -0.1875 Soluble
176 S C -0.1758 Soluble
177 G C -0.1910 Soluble
178 V C 0.1647 Aggregation-prone
179 H C -0.2793 Soluble
180 T C -0.1229 Soluble
181 F C 0.0000 Buried
182 P C -0.4404 Soluble
183 A C 0.1859 Aggregation-prone
184 V C 0.4508 Aggregation-prone
185 L C 1.0126 Aggregation-prone
186 Q C 0.1463 Aggregation-prone
187 S C -0.2467 Soluble
188 S C -0.2476 Soluble
189 G C -0.0026 Soluble
190 L C 0.1241 Aggregation-prone
191 Y C 0.2963 Aggregation-prone
192 S C 0.1817 Aggregation-prone
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 -0.1305 Soluble
199 V C 0.0000 Buried
200 P C -0.6290 Soluble
201 S C -0.5960 Soluble
202 S C -0.6039 Soluble
203 S C 0.0000 Buried
204 L C -0.8501 Soluble
205 G C -1.0817 Soluble
206 T C -0.8238 Soluble
207 Q C -1.4441 Soluble
208 T C -1.2123 Soluble
209 Y C 0.0000 Buried
210 I C -1.3183 Soluble
211 C C 0.0000 Buried
212 N C -1.5749 Soluble
213 V C 0.0000 Buried
214 N C -1.6218 Soluble
215 H C 0.0000 Buried
216 K C -2.6347 Soluble
217 P C -1.5376 Soluble
218 S C -1.6687 Soluble
219 N C -2.3466 Soluble
220 T C -1.9134 Soluble
221 K C -2.5783 Soluble
222 V C -1.6467 Soluble
223 D C -2.5948 Soluble
224 K C -2.2438 Soluble
225 K C -2.4370 Soluble
226 V C 0.0000 Buried
227 E C -2.8324 Soluble
228 P C -2.0561 Soluble
229 K C -2.2309 Soluble
1 D D -2.4649 Soluble
2 I D 0.0000 Buried
3 Q D -2.3060 Soluble
4 M D 0.0000 Buried
5 T D -1.3679 Soluble
6 Q D 0.0000 Buried
7 S D -0.9168 Soluble
8 P D -0.7023 Soluble
9 S D -0.9645 Soluble
10 S D -0.9006 Soluble
11 L D -0.6090 Soluble
12 S D -0.8535 Soluble
13 A D -0.9589 Soluble
14 S D -0.9251 Soluble
15 V D -0.1596 Soluble
16 G D -0.8848 Soluble
17 D D -1.8618 Soluble
18 R D -2.3335 Soluble
19 V D 0.0000 Buried
20 T D -0.6093 Soluble
21 I D 0.0000 Buried
22 T D -0.7326 Soluble
23 C D 0.0000 Buried
24 R D -2.7792 Soluble
25 A D 0.0000 Buried
26 S D -2.2535 Soluble
27 Q D -2.8732 Soluble
28 D D -2.8922 Soluble
29 V D 0.0000 Buried
36 N D -1.8766 Soluble
37 T D -0.7050 Soluble
38 A D -0.0221 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 0.0000 Buried
44 Q D -1.2758 Soluble
45 K D -1.5634 Soluble
46 P D -1.3660 Soluble
47 G D -1.7597 Soluble
48 K D -2.5213 Soluble
49 A D -1.6124 Soluble
50 P D 0.0000 Buried
51 K D -1.5128 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 1.2191 Aggregation-prone
56 S D 0.5617 Aggregation-prone
57 A D 0.0000 Buried
65 S D 0.7218 Aggregation-prone
66 F D 2.2161 Aggregation-prone
67 L D 1.4741 Aggregation-prone
68 Y D 0.6340 Aggregation-prone
69 S D -0.0009 Soluble
70 G D -0.4767 Soluble
71 V D 0.0000 Buried
72 P D -0.3495 Soluble
74 S D -0.4151 Soluble
75 R D -0.7729 Soluble
76 F D 0.0000 Buried
77 S D 0.0851 Aggregation-prone
78 G D 0.1105 Aggregation-prone
79 S D -0.5681 Soluble
80 R D -1.5425 Soluble
83 S D -1.2110 Soluble
84 G D -1.7500 Soluble
85 T D -2.1727 Soluble
86 D D -1.7712 Soluble
87 F D 0.0000 Buried
88 T D -0.7294 Soluble
89 L D 0.0000 Buried
90 T D -0.6499 Soluble
91 I D 0.0000 Buried
92 S D -1.4980 Soluble
93 S D -1.2343 Soluble
94 L D 0.0000 Buried
95 Q D -0.9657 Soluble
96 P D -1.5797 Soluble
97 E D -1.7358 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 T D -0.9450 Soluble
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 0.4974 Aggregation-prone
108 Y D 0.6669 Aggregation-prone
109 T D 0.2492 Aggregation-prone
114 T D -0.5038 Soluble
115 P D -1.0579 Soluble
116 P D 0.0000 Buried
117 T D -0.6548 Soluble
118 F D -0.5300 Soluble
119 G D 0.0000 Buried
120 Q D -1.8806 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.7187 Soluble
124 V D 0.0000 Buried
125 E D -1.4153 Soluble
126 I D 0.0000 Buried
127 K D -1.3776 Soluble
128 R D -0.9988 Soluble
129 T D -0.1932 Soluble
130 V D 0.2551 Aggregation-prone
131 A D -0.0357 Soluble
132 A D -0.0954 Soluble
133 P D 0.0000 Buried
134 S D -0.1731 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.7524 Soluble
140 P D -0.8063 Soluble
141 S D -1.7628 Soluble
142 D D -2.9114 Soluble
143 E D -2.7911 Soluble
144 Q D 0.0000 Buried
145 L D -2.2125 Soluble
146 K D -2.8620 Soluble
147 S D -1.8323 Soluble
148 G D -1.5311 Soluble
149 T D -1.3039 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 -0.7791 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.6667 Soluble
162 R D -2.6819 Soluble
163 E D -3.0723 Soluble
164 A D -2.2629 Soluble
165 K D -2.4128 Soluble
166 V D -1.0712 Soluble
167 Q D -0.5606 Soluble
168 W D 0.0000 Buried
169 K D -0.5400 Soluble
170 V D 0.0000 Buried
171 D D -2.0332 Soluble
172 N D -1.3815 Soluble
173 A D -0.3415 Soluble
174 L D 0.6681 Aggregation-prone
175 Q D -0.1977 Soluble
177 G D -0.8696 Soluble
178 N D -0.8525 Soluble
179 S D -1.0105 Soluble
180 Q D -1.2161 Soluble
181 E D -1.4865 Soluble
182 S D -0.7933 Soluble
183 V D -0.6527 Soluble
184 T D 0.0000 Buried
185 E D -1.7741 Soluble
186 Q D 0.0000 Buried
187 D D -1.9468 Soluble
188 S D -2.0908 Soluble
189 K D -2.5573 Soluble
190 D D -1.9270 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 -0.5801 Soluble
199 L D 0.0000 Buried
200 T D -0.4883 Soluble
201 L D -0.7807 Soluble
202 S D -1.1793 Soluble
203 K D -2.1460 Soluble
204 A D -2.0280 Soluble
205 D D -2.9262 Soluble
206 Y D 0.0000 Buried
207 E D -3.5195 Soluble
208 K D -3.7214 Soluble
209 H D -3.1678 Soluble
210 K D -3.1450 Soluble
211 V D -1.6173 Soluble
212 Y D 0.0000 Buried
213 A D -0.8231 Soluble
214 C D 0.0000 Buried
215 E D -0.7448 Soluble
216 V D 0.0000 Buried
217 T D -1.2527 Soluble
218 H D 0.0000 Buried
219 Q D -1.7060 Soluble
220 G D -0.4208 Soluble
221 L D -0.2151 Soluble
222 S D -0.4375 Soluble
223 S D -0.4376 Soluble
224 P D -0.6047 Soluble
225 V D -0.0877 Soluble
226 T D -0.4705 Soluble
227 K D -0.8358 Soluble
228 S D -0.7846 Soluble
229 F D 0.0000 Buried
230 N D -2.0326 Soluble
231 R D -2.3206 Soluble
232 G D -1.4225 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
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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 -0.7475 3.835 CSV PDB
4.5 -0.7916 3.835 CSV PDB
5.0 -0.8414 3.835 CSV PDB
5.5 -0.8874 3.835 CSV PDB
6.0 -0.9188 3.835 CSV PDB
6.5 -0.927 3.835 CSV PDB
7.0 -0.9123 3.835 CSV PDB
7.5 -0.8829 3.835 CSV PDB
8.0 -0.8453 3.8349 CSV PDB
8.5 -0.8007 3.8348 CSV PDB
9.0 -0.7489 3.8344 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH