Trastuzumab / 8ti4

A4DAB277_8ti4_H_L | Source PDB: 8ti4 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7255
Max Score
2.0813
Min Score
-3.2152
Total Score
-309.79
Score CDR
-0.578
Score non-CDR
-0.7437

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVCPLAPSTSGGTAELGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKGQPKAAPSVRLFPPCSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) H (Heavy), L (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 -3.2152
Maximum Score 2.0813
Average Score -0.7255
Total Score -309.7888

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

Index Residue Chain A4D Score Classification
1 E H -2.1705 Soluble
2 V H -1.5022 Soluble
3 Q H -1.3260 Soluble
4 L H 0.0000 Buried
5 V H 0.9464 Aggregation-prone
6 E H 0.0754 Aggregation-prone
7 S H -0.3194 Soluble
8 G H -0.6983 Soluble
9 G H 0.0540 Aggregation-prone
11 G H 0.4159 Aggregation-prone
12 L H 0.9437 Aggregation-prone
13 V H -0.2677 Soluble
14 Q H -1.4051 Soluble
15 P H -1.9484 Soluble
16 G H -1.5710 Soluble
17 G H -1.1559 Soluble
18 S H -1.4026 Soluble
19 L H -1.0120 Soluble
20 R H -2.1042 Soluble
21 L H 0.0000 Buried
22 S H -0.3709 Soluble
23 C H 0.0000 Buried
24 A H -0.1227 Soluble
25 A H 0.0000 Buried
26 S H -1.2015 Soluble
27 G H -1.5521 Soluble
28 F H -1.4912 Soluble
29 N H -2.2235 Soluble
30 I H 0.0000 Buried
35 K H -2.4565 Soluble
36 D H -2.8137 Soluble
37 T H 0.0000 Buried
38 Y H -0.3182 Soluble
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.6923 Soluble
45 A H -1.0370 Soluble
46 P H -0.8289 Soluble
47 G H -1.4670 Soluble
48 K H -2.4150 Soluble
49 G H -1.6991 Soluble
50 L H 0.0000 Buried
51 E H -1.2586 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H -0.6136 Soluble
56 I H 0.0000 Buried
57 Y H -0.3569 Soluble
58 P H -0.9580 Soluble
59 T H -1.0904 Soluble
62 N H -0.8319 Soluble
63 G H -0.3560 Soluble
64 Y H 0.4964 Aggregation-prone
65 T H -0.4587 Soluble
66 R H -1.9467 Soluble
67 Y H -1.7244 Soluble
68 A H -1.9416 Soluble
69 D H -2.6947 Soluble
70 S H -1.7706 Soluble
71 V H 0.0000 Buried
72 K H -2.8592 Soluble
74 G H -1.8357 Soluble
75 R H -1.9237 Soluble
76 F H 0.0000 Buried
77 T H -1.1664 Soluble
78 I H 0.0000 Buried
79 S H -0.1645 Soluble
80 A H -0.8705 Soluble
81 D H -1.4433 Soluble
82 T H -1.5625 Soluble
83 S H -1.5285 Soluble
84 K H -2.2411 Soluble
85 N H -1.7568 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5694 Soluble
89 L H 0.0000 Buried
90 Q H -1.3642 Soluble
91 M H 0.0000 Buried
92 N H -1.8930 Soluble
93 S H -1.5463 Soluble
94 L H 0.0000 Buried
95 R H -2.9136 Soluble
96 A H -1.9871 Soluble
97 E H -2.4312 Soluble
98 D H 0.0000 Buried
99 T H -0.5291 Soluble
100 A H 0.0000 Buried
101 V H 0.6740 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H -0.0385 Soluble
107 W H 0.0000 Buried
108 G H -0.4454 Soluble
109 G H -1.3564 Soluble
110 D H -2.0293 Soluble
111 G H -0.8851 Soluble
112 F H 0.0440 Aggregation-prone
113 Y H 0.5698 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.2252 Soluble
117 Y H -0.4606 Soluble
118 W H -0.5919 Soluble
119 G H 0.0000 Buried
120 Q H -1.4486 Soluble
121 G H -0.4099 Soluble
122 T H 0.5141 Aggregation-prone
123 L H 1.6004 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.1157 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.9497 Soluble
128 S H -0.9282 Soluble
129 A H -0.5397 Soluble
130 S H -0.6530 Soluble
131 T H -0.8658 Soluble
132 K H -1.2640 Soluble
133 G H -1.4616 Soluble
134 P H 0.0000 Buried
135 S H -0.7234 Soluble
136 V H 0.0000 Buried
137 C H 0.0000 Buried
138 P H -1.3756 Soluble
139 L H 0.0000 Buried
140 A H -0.7665 Soluble
141 P H -0.6734 Soluble
142 S H -0.4996 Soluble
143 T H -0.5202 Soluble
144 S H -0.6702 Soluble
145 G H -0.8117 Soluble
146 G H -0.6327 Soluble
147 T H -0.5575 Soluble
148 A H 0.0000 Buried
149 E H -0.6560 Soluble
150 L H 0.0000 Buried
151 G H 0.0000 Buried
152 C H 0.0000 Buried
153 L H 0.0000 Buried
154 V H 0.0000 Buried
155 K H -0.4634 Soluble
156 D H -0.6151 Soluble
157 Y H 0.0000 Buried
158 F H 0.0000 Buried
159 P H -0.6517 Soluble
160 E H -0.9460 Soluble
161 P H -1.0082 Soluble
162 V H -0.7647 Soluble
163 T H -0.6171 Soluble
164 V H -0.3715 Soluble
165 S H -0.4181 Soluble
166 W H 0.0000 Buried
167 N H -0.8022 Soluble
168 S H -0.7014 Soluble
169 G H -0.5361 Soluble
170 A H -0.2423 Soluble
171 L H 0.0438 Aggregation-prone
172 T H -0.1356 Soluble
173 S H -0.1735 Soluble
174 G H -0.2365 Soluble
175 V H 0.2049 Aggregation-prone
176 H H -0.1025 Soluble
177 T H -0.0238 Soluble
178 F H 0.0000 Buried
179 P H -0.2089 Soluble
180 A H 0.1834 Aggregation-prone
181 V H 0.0000 Buried
182 L H 1.0521 Aggregation-prone
183 Q H 0.3124 Aggregation-prone
184 S H -0.1170 Soluble
185 S H -0.1538 Soluble
186 G H 0.0440 Aggregation-prone
187 L H 0.0574 Aggregation-prone
188 Y H 0.2554 Aggregation-prone
189 S H 0.0000 Buried
190 L H 0.0000 Buried
191 S H 0.0000 Buried
192 S H 0.0000 Buried
193 V H 0.0000 Buried
194 V H 0.0000 Buried
195 T H -0.3727 Soluble
196 V H 0.0000 Buried
197 P H -0.6535 Soluble
198 S H -0.6387 Soluble
199 S H -0.6917 Soluble
200 S H -0.6216 Soluble
201 L H -0.8378 Soluble
202 G H -1.1687 Soluble
203 T H -0.9891 Soluble
204 Q H -1.3331 Soluble
205 T H -1.1846 Soluble
206 Y H 0.0000 Buried
207 I H -1.4915 Soluble
208 C H 0.0000 Buried
209 N H -1.6489 Soluble
210 V H 0.0000 Buried
211 N H -1.9381 Soluble
212 H H 0.0000 Buried
213 K H -2.8032 Soluble
214 P H -1.7146 Soluble
215 S H -1.8766 Soluble
216 N H -2.6159 Soluble
217 T H -2.1466 Soluble
218 K H -2.7267 Soluble
219 V H -1.6991 Soluble
220 D H -2.7860 Soluble
221 K H -2.3615 Soluble
222 R H -2.8630 Soluble
223 V H 0.0000 Buried
224 E H -2.6359 Soluble
225 P H -1.2435 Soluble
1 D L -2.1875 Soluble
2 I L 0.0000 Buried
3 Q L -2.1341 Soluble
4 M L 0.0000 Buried
5 T L -1.4036 Soluble
6 Q L 0.0000 Buried
7 S L -0.9281 Soluble
8 P L -0.6891 Soluble
9 S L -0.9655 Soluble
10 S L -0.9857 Soluble
11 L L -0.5493 Soluble
12 S L -0.6910 Soluble
13 A L 0.0000 Buried
14 S L -0.3643 Soluble
15 V L 0.3950 Aggregation-prone
16 G L -0.7077 Soluble
17 D L -1.5578 Soluble
18 R L -2.2451 Soluble
19 V L 0.0000 Buried
20 T L -0.6500 Soluble
21 I L 0.0000 Buried
22 T L -0.7817 Soluble
23 C L 0.0000 Buried
24 R L -2.7742 Soluble
25 A L 0.0000 Buried
26 S L -2.0460 Soluble
27 Q L -2.6265 Soluble
28 D L -2.7005 Soluble
29 V L 0.0000 Buried
36 N L -1.8962 Soluble
37 T L -0.9731 Soluble
38 A L -0.0701 Soluble
39 V L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.7878 Soluble
46 P L -1.2225 Soluble
47 G L -1.6835 Soluble
48 K L -2.6741 Soluble
49 A L -1.7606 Soluble
50 P L 0.0000 Buried
51 K L -1.8938 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.0759 Aggregation-prone
56 S L 0.5754 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.6882 Aggregation-prone
66 F L 2.0813 Aggregation-prone
67 L L 1.2677 Aggregation-prone
68 Y L 0.5280 Aggregation-prone
69 S L 0.0287 Aggregation-prone
70 G L -0.4091 Soluble
71 V L -0.2690 Soluble
72 P L -0.3008 Soluble
74 S L -0.3807 Soluble
75 R L -0.7463 Soluble
76 F L 0.0000 Buried
77 S L 0.0382 Aggregation-prone
78 G L 0.0559 Aggregation-prone
79 S L -0.5560 Soluble
80 R L -1.5259 Soluble
83 S L -1.3089 Soluble
84 G L -1.8248 Soluble
85 T L -2.2097 Soluble
86 D L -1.9871 Soluble
87 F L 0.0000 Buried
88 T L -0.7451 Soluble
89 L L 0.0000 Buried
90 T L -0.6200 Soluble
91 I L 0.0000 Buried
92 S L -1.3067 Soluble
93 S L -1.0953 Soluble
94 L L 0.0000 Buried
95 Q L -0.9213 Soluble
96 P L -0.9415 Soluble
97 E L -1.9661 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0709 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 H L 0.4964 Aggregation-prone
108 Y L 0.6095 Aggregation-prone
109 T L 0.1826 Aggregation-prone
114 T L -0.4576 Soluble
115 P L -0.9346 Soluble
116 P L 0.0000 Buried
117 T L -0.8213 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.9787 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.8290 Soluble
124 V L 0.0000 Buried
125 E L -0.9004 Soluble
126 I L 0.0863 Aggregation-prone
127 K L -1.1263 Soluble
128 G L -1.4607 Soluble
129 Q L -1.7852 Soluble
130 P L -1.4363 Soluble
131 K L -1.8290 Soluble
132 A L -1.1797 Soluble
133 A L -0.7624 Soluble
134 P L 0.0000 Buried
135 S L -0.4127 Soluble
136 V L 0.0000 Buried
137 R L -0.6304 Soluble
138 L L -0.4259 Soluble
139 F L 0.0000 Buried
140 P L -0.0656 Soluble
141 P L -0.6242 Soluble
142 C L 0.0000 Buried
143 S L -1.7495 Soluble
144 E L -2.7505 Soluble
145 E L -2.3619 Soluble
146 L L -2.2981 Soluble
147 Q L -2.5275 Soluble
148 A L -2.1144 Soluble
149 N L -2.9520 Soluble
150 K L -3.0726 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L 0.0000 Buried
159 D L -1.9001 Soluble
160 F L 0.0000 Buried
161 Y L -1.3949 Soluble
162 P L -1.1580 Soluble
163 G L -1.0158 Soluble
164 A L -0.1577 Soluble
165 V L -0.0426 Soluble
166 T L -0.0753 Soluble
167 V L 0.1321 Aggregation-prone
168 A L -0.3586 Soluble
169 W L 0.0000 Buried
170 K L -0.9041 Soluble
171 A L 0.0000 Buried
172 D L -1.2989 Soluble
173 S L -0.8916 Soluble
174 S L -0.8046 Soluble
175 P L -0.9002 Soluble
176 V L -0.8551 Soluble
177 K L -1.6230 Soluble
178 A L -0.8123 Soluble
179 G L -0.5417 Soluble
180 V L -0.1608 Soluble
181 E L -0.1849 Soluble
182 T L 0.0221 Aggregation-prone
183 T L 0.0050 Aggregation-prone
184 T L -0.3774 Soluble
185 P L -0.5665 Soluble
186 S L -1.2916 Soluble
187 K L -2.7452 Soluble
188 Q L -2.2105 Soluble
189 S L -1.6440 Soluble
190 N L -2.2699 Soluble
191 N L -2.7937 Soluble
192 K L -2.4836 Soluble
193 Y L -1.7704 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.6497 Soluble
201 L L 0.0000 Buried
202 T L -2.0661 Soluble
203 P L -2.6261 Soluble
204 E L -3.2152 Soluble
205 Q L -2.3678 Soluble
206 W L 0.0000 Buried
207 K L -3.1176 Soluble
208 S L -2.4096 Soluble
209 H L -2.3661 Soluble
210 R L -2.4914 Soluble
211 S L -1.4925 Soluble
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -0.9375 Soluble
216 V L 0.0000 Buried
217 T L -0.6514 Soluble
218 H L 0.0000 Buried
219 E L -2.1786 Soluble
220 G L -1.4056 Soluble
221 S L -0.8256 Soluble
222 T L -0.6860 Soluble
223 V L -0.5774 Soluble
224 E L -1.7743 Soluble
225 K L -1.4398 Soluble
226 T L -0.8090 Soluble
227 V L -0.3031 Soluble
228 A L -0.8709 Soluble
229 P L -1.0712 Soluble
230 T L -0.5409 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
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 -0.714 3.6653 CSV PDB
4.5 -0.7544 3.6653 CSV PDB
5.0 -0.801 3.6653 CSV PDB
5.5 -0.8444 3.6653 CSV PDB
6.0 -0.8741 3.6653 CSV PDB
6.5 -0.8818 3.6653 CSV PDB
7.0 -0.8675 3.6653 CSV PDB
7.5 -0.8389 3.6653 CSV PDB
8.0 -0.8025 3.6652 CSV PDB
8.5 -0.7603 3.6651 CSV PDB
9.0 -0.7125 3.6648 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH