Trastuzumab / 4ub0

A4DAB277_4ub0_H_L | Source PDB: 4ub0 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7448
Max Score
2.1395
Min Score
-3.5278
Total Score
-319.51
Score CDR
-0.6186
Score non-CDR
-0.7603

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVCPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPCDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGES 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 -3.5278
Maximum Score 2.1395
Average Score -0.7448
Total Score -319.5085

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

Index Residue Chain A4D Score Classification
1 E H -2.1276 Soluble
2 V H -1.3397 Soluble
3 Q H -1.2243 Soluble
4 L H 0.0000 Buried
5 V H 0.8639 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4094 Soluble
8 G H -0.9191 Soluble
9 G H -0.4737 Soluble
11 G H -0.0272 Soluble
12 L H -0.0605 Soluble
13 V H 0.0000 Buried
14 Q H -1.6278 Soluble
15 P H -1.7859 Soluble
16 G H -1.5180 Soluble
17 G H -1.2612 Soluble
18 S H -1.6121 Soluble
19 L H -1.4256 Soluble
20 R H -2.4436 Soluble
21 L H 0.0000 Buried
22 S H -0.4714 Soluble
23 C H 0.0000 Buried
24 A H -0.1425 Soluble
25 A H 0.0000 Buried
26 S H -1.2847 Soluble
27 G H -1.5576 Soluble
28 F H -1.6239 Soluble
29 N H -2.6265 Soluble
30 I H 0.0000 Buried
35 K H -3.1749 Soluble
36 D H -3.2193 Soluble
37 T H 0.0000 Buried
38 Y H -0.4405 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 -0.8090 Soluble
45 A H -1.1905 Soluble
46 P H -1.0312 Soluble
47 G H -1.4924 Soluble
48 K H -2.4035 Soluble
49 G H -1.6719 Soluble
50 L H 0.0000 Buried
51 E H -1.1230 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H -0.5360 Soluble
56 I H 0.0000 Buried
57 Y H -0.3916 Soluble
58 P H 0.0000 Buried
59 T H -1.2999 Soluble
62 N H -0.9266 Soluble
63 G H -0.3207 Soluble
64 Y H 0.5669 Aggregation-prone
65 T H -0.4175 Soluble
66 R H -1.9779 Soluble
67 Y H -1.8364 Soluble
68 A H 0.0000 Buried
69 D H -2.8047 Soluble
70 S H -1.7464 Soluble
71 V H 0.0000 Buried
72 K H -2.8258 Soluble
74 G H -1.8418 Soluble
75 R H -1.6820 Soluble
76 F H 0.0000 Buried
77 T H -1.4684 Soluble
78 I H 0.0000 Buried
79 S H -0.2272 Soluble
80 A H -0.8056 Soluble
81 D H -1.5338 Soluble
82 T H -1.8744 Soluble
83 S H -1.6732 Soluble
84 K H -2.2698 Soluble
85 N H -1.9199 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7216 Soluble
89 L H 0.0000 Buried
90 Q H -2.0331 Soluble
91 M H 0.0000 Buried
92 N H -2.1794 Soluble
93 S H -1.4558 Soluble
94 L H 0.0000 Buried
95 R H -2.4183 Soluble
96 A H -1.7438 Soluble
97 E H -2.2521 Soluble
98 D H 0.0000 Buried
99 T H -0.7472 Soluble
100 A H 0.0000 Buried
101 V H -0.0226 Soluble
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 -0.1542 Soluble
107 W H 0.0000 Buried
108 G H -1.0257 Soluble
109 G H -1.2952 Soluble
110 D H -2.1481 Soluble
111 G H -1.0424 Soluble
112 F H -0.1711 Soluble
113 Y H 0.3995 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.0486 Soluble
117 Y H -0.0322 Soluble
118 W H -0.3122 Soluble
119 G H 0.0000 Buried
120 Q H -1.3033 Soluble
121 G H 0.0000 Buried
122 T H -0.0061 Soluble
123 L H 0.0685 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4371 Soluble
126 V H 0.0000 Buried
127 S H -0.8243 Soluble
128 S H -0.7426 Soluble
129 A H -0.5421 Soluble
130 S H -0.6861 Soluble
131 T H -0.8453 Soluble
132 K H -1.7106 Soluble
133 G H -1.6989 Soluble
134 P H 0.0000 Buried
135 S H -0.6817 Soluble
136 V H 0.0000 Buried
137 C H 0.0000 Buried
138 P H -1.1383 Soluble
139 L H 0.0000 Buried
140 A H -0.7904 Soluble
141 P H 0.0000 Buried
142 S H -0.3304 Soluble
143 S H -0.3825 Soluble
144 G H -0.6514 Soluble
145 T H -0.4819 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.4725 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.4613 Soluble
159 P H -0.7588 Soluble
160 V H -0.5826 Soluble
161 T H -0.6783 Soluble
162 V H -0.3411 Soluble
163 S H -0.4741 Soluble
164 W H 0.0000 Buried
165 N H -0.7452 Soluble
166 S H -0.6840 Soluble
167 G H -0.5939 Soluble
168 A H -0.2620 Soluble
169 L H -0.0258 Soluble
170 T H -0.1824 Soluble
171 S H -0.1901 Soluble
172 G H -0.2339 Soluble
173 V H 0.1455 Aggregation-prone
174 H H -0.3475 Soluble
175 T H -0.1777 Soluble
176 F H 0.0000 Buried
177 P H -0.4802 Soluble
178 A H 0.1352 Aggregation-prone
179 V H 0.3623 Aggregation-prone
180 L H 1.0645 Aggregation-prone
181 Q H 0.2349 Aggregation-prone
182 S H -0.0892 Soluble
183 S H -0.2269 Soluble
184 G H -0.0247 Soluble
185 L H 0.0301 Aggregation-prone
186 Y H 0.3338 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1347 Soluble
194 V H 0.0000 Buried
195 P H -0.4946 Soluble
196 S H -0.5588 Soluble
197 S H -0.6177 Soluble
198 S H -0.6319 Soluble
199 L H -0.8666 Soluble
200 G H -1.0540 Soluble
201 T H -0.8749 Soluble
202 Q H -1.3154 Soluble
203 T H -1.3427 Soluble
204 Y H 0.0000 Buried
205 I H -1.4340 Soluble
206 C H 0.0000 Buried
207 N H -1.6273 Soluble
208 V H 0.0000 Buried
209 N H -2.3766 Soluble
210 H H 0.0000 Buried
211 K H -2.8186 Soluble
212 P H -1.6914 Soluble
213 S H -1.9896 Soluble
214 N H -2.7162 Soluble
215 T H -2.2661 Soluble
216 K H -2.9003 Soluble
217 V H -1.8830 Soluble
218 D H -2.7038 Soluble
219 K H -2.2457 Soluble
220 K H -2.7463 Soluble
221 V H 0.0000 Buried
222 E H -2.4454 Soluble
223 P H -1.4262 Soluble
1 D L -2.4832 Soluble
2 I L 0.0000 Buried
3 Q L -2.3314 Soluble
4 M L 0.0000 Buried
5 T L -1.4476 Soluble
6 Q L -1.2456 Soluble
7 S L -0.8430 Soluble
8 P L -0.5381 Soluble
9 S L -0.8849 Soluble
10 S L -0.7500 Soluble
11 L L -0.4734 Soluble
12 S L -0.6900 Soluble
13 A L -1.0351 Soluble
14 S L -1.0426 Soluble
15 V L -0.4065 Soluble
16 G L -0.9740 Soluble
17 D L -2.0231 Soluble
18 R L -2.3950 Soluble
19 V L 0.0000 Buried
20 T L -0.6544 Soluble
21 I L 0.0000 Buried
22 T L -0.8097 Soluble
23 C L 0.0000 Buried
24 R L -2.6287 Soluble
25 A L -2.3865 Soluble
26 S L -2.2069 Soluble
27 Q L -2.8343 Soluble
28 D L -2.6472 Soluble
29 V L 0.0000 Buried
36 N L -1.8646 Soluble
37 T L -0.9518 Soluble
38 A L -0.0451 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 -2.0537 Soluble
46 P L -1.6787 Soluble
47 G L -1.7197 Soluble
48 K L -2.6025 Soluble
49 A L -1.6455 Soluble
50 P L 0.0000 Buried
51 K L -1.6025 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.1654 Aggregation-prone
56 S L 0.4287 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.6553 Aggregation-prone
66 F L 2.1395 Aggregation-prone
67 L L 1.5407 Aggregation-prone
68 Y L 0.7033 Aggregation-prone
69 S L 0.0932 Aggregation-prone
70 G L -0.3799 Soluble
71 V L -0.2283 Soluble
72 P L -0.2766 Soluble
74 S L -0.3637 Soluble
75 R L -0.7123 Soluble
76 F L 0.0000 Buried
77 S L 0.1582 Aggregation-prone
78 G L 0.0938 Aggregation-prone
79 S L -0.6182 Soluble
80 R L -1.7311 Soluble
83 S L -1.2447 Soluble
84 G L -1.6394 Soluble
85 T L -2.1242 Soluble
86 D L -1.6397 Soluble
87 F L 0.0000 Buried
88 T L -0.7958 Soluble
89 L L 0.0000 Buried
90 T L -0.6089 Soluble
91 I L 0.0000 Buried
92 S L -1.4014 Soluble
93 S L -1.2300 Soluble
94 L L 0.0000 Buried
95 Q L -1.1087 Soluble
96 P L -1.8018 Soluble
97 E L -2.3402 Soluble
98 D L 0.0000 Buried
99 F L -1.2834 Soluble
100 A L 0.0000 Buried
101 T L -0.9187 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 0.5016 Aggregation-prone
108 Y L 0.6541 Aggregation-prone
109 T L 0.0877 Aggregation-prone
114 T L -0.4659 Soluble
115 P L -0.9506 Soluble
116 P L 0.0000 Buried
117 T L -0.6904 Soluble
118 F L -0.5461 Soluble
119 G L 0.0000 Buried
120 Q L -1.9224 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.4977 Soluble
124 V L 0.0000 Buried
125 E L -1.3247 Soluble
126 I L 0.0000 Buried
127 K L -1.4002 Soluble
128 R L -0.9820 Soluble
129 T L -0.1945 Soluble
130 V L 0.2207 Aggregation-prone
131 A L 0.0620 Aggregation-prone
132 A L -0.1466 Soluble
133 P L 0.0000 Buried
134 S L -0.1292 Soluble
135 V L 0.0000 Buried
136 F L -0.0140 Soluble
137 I L 0.0449 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3786 Soluble
140 P L -0.7100 Soluble
141 C L -1.3834 Soluble
142 D L -2.7376 Soluble
143 E L -2.7128 Soluble
144 Q L 0.0000 Buried
145 L L -2.1032 Soluble
146 K L -2.6757 Soluble
147 S L -1.7300 Soluble
148 G L -1.2789 Soluble
149 T L -0.8784 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L -0.3875 Soluble
158 N L -0.8662 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6415 Soluble
162 R L -2.6679 Soluble
163 E L -3.0449 Soluble
164 A L -2.3465 Soluble
165 K L -2.5575 Soluble
166 V L 0.0000 Buried
167 Q L -0.8601 Soluble
168 W L 0.0000 Buried
169 K L -0.6310 Soluble
170 V L 0.0000 Buried
171 D L -1.7579 Soluble
172 N L -1.4817 Soluble
173 A L -0.2831 Soluble
174 L L 0.5978 Aggregation-prone
175 Q L -0.1515 Soluble
176 S L -0.4466 Soluble
177 G L -0.8935 Soluble
178 N L -0.8054 Soluble
179 S L -1.1542 Soluble
180 Q L -1.3843 Soluble
181 E L -2.0001 Soluble
182 S L -0.8914 Soluble
183 V L -0.8452 Soluble
184 T L 0.0000 Buried
185 E L -2.2355 Soluble
186 Q L 0.0000 Buried
187 D L -2.2263 Soluble
188 S L -2.3652 Soluble
189 K L -2.6848 Soluble
190 D L -1.8102 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6171 Soluble
199 L L 0.0000 Buried
200 T L -0.4101 Soluble
201 L L -0.6166 Soluble
202 S L -1.0431 Soluble
203 K L -2.0841 Soluble
204 A L -1.8536 Soluble
205 D L -2.5424 Soluble
206 Y L 0.0000 Buried
207 E L -3.4803 Soluble
208 K L -3.5278 Soluble
209 H L -2.7384 Soluble
210 K L -2.7150 Soluble
211 V L -1.1046 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9062 Soluble
216 V L 0.0000 Buried
217 T L -1.2942 Soluble
218 H L 0.0000 Buried
219 Q L -1.7392 Soluble
220 G L -0.4864 Soluble
221 L L -0.2730 Soluble
222 S L -0.4793 Soluble
223 S L -0.4513 Soluble
224 P L -0.6149 Soluble
225 V L -0.0651 Soluble
226 T L -0.5406 Soluble
227 K L -0.7227 Soluble
228 S L -0.5349 Soluble
229 F L -0.8541 Soluble
230 N L -1.7136 Soluble
231 R L -2.4638 Soluble
232 G L -2.1864 Soluble
233 E L -2.5571 Soluble
234 S L -1.4807 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
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 -0.7507 3.68 CSV PDB
4.5 -0.796 3.68 CSV PDB
5.0 -0.8487 3.68 CSV PDB
5.5 -0.8992 3.68 CSV PDB
6.0 -0.9362 3.68 CSV PDB
6.5 -0.9502 3.68 CSV PDB
7.0 -0.9407 3.68 CSV PDB
7.5 -0.9158 3.68 CSV PDB
8.0 -0.8824 3.6799 CSV PDB
8.5 -0.8423 3.6798 CSV PDB
9.0 -0.7951 3.6795 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH