Timigutuzumab / 5xhg

A4DAB266_5xhg_D_C | Source PDB: 5xhg | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7411
Max Score
2.2389
Min Score
-3.5688
Total Score
-318.66
Score CDR
-0.5824
Score non-CDR
-0.7605

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALKSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.5688
Maximum Score 2.2389
Average Score -0.7411
Total Score -318.6556

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

Index Residue Chain A4D Score Classification
1 E D -2.1524 Soluble
2 V D -1.5067 Soluble
3 Q D -1.1066 Soluble
4 L D 0.0000 Buried
5 V D 1.3605 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.2455 Soluble
8 G D -0.8822 Soluble
9 G D -0.4785 Soluble
11 G D -0.1218 Soluble
12 L D 0.1537 Aggregation-prone
13 V D -0.5543 Soluble
14 Q D -1.5888 Soluble
15 P D -1.8393 Soluble
16 G D -1.5238 Soluble
17 G D -1.1689 Soluble
18 S D -1.2708 Soluble
19 L D -1.1275 Soluble
20 R D -2.1194 Soluble
21 L D 0.0000 Buried
22 S D -0.3238 Soluble
23 C D 0.0000 Buried
24 A D 0.0060 Aggregation-prone
25 A D -0.5622 Soluble
26 S D -1.0163 Soluble
27 G D -1.4855 Soluble
28 F D -1.4822 Soluble
29 N D -2.3437 Soluble
30 I D 0.0000 Buried
35 K D -2.5802 Soluble
36 D D -2.5177 Soluble
37 T D 0.0000 Buried
38 Y D -0.3293 Soluble
39 I D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.8512 Soluble
45 A D -1.1478 Soluble
46 P D -1.0029 Soluble
47 G D -1.5017 Soluble
48 K D -2.4026 Soluble
49 G D -1.6620 Soluble
50 L D 0.0000 Buried
51 E D -1.1355 Soluble
52 W D 0.0000 Buried
53 V D 0.0000 Buried
54 A D 0.0000 Buried
55 R D -0.6230 Soluble
56 I D 0.0000 Buried
57 Y D -0.3519 Soluble
58 P D -1.0270 Soluble
59 T D -1.1519 Soluble
62 N D -0.9402 Soluble
63 G D -0.3423 Soluble
64 Y D 0.5143 Aggregation-prone
65 T D -0.4568 Soluble
66 R D -2.0115 Soluble
67 Y D -1.8754 Soluble
68 A D 0.0000 Buried
69 D D -2.8654 Soluble
70 S D -1.7843 Soluble
71 V D 0.0000 Buried
72 K D -2.8951 Soluble
74 G D -1.7873 Soluble
75 R D -1.3898 Soluble
76 F D 0.0000 Buried
77 T D -1.1262 Soluble
78 I D 0.0000 Buried
79 S D -0.1083 Soluble
80 A D -0.8881 Soluble
81 D D -1.4478 Soluble
82 T D -1.7039 Soluble
83 S D -1.5963 Soluble
84 K D -2.2488 Soluble
85 N D -1.8400 Soluble
86 T D -0.8685 Soluble
87 A D 0.0000 Buried
88 Y D -0.5343 Soluble
89 L D 0.0000 Buried
90 Q D -1.2781 Soluble
91 M D 0.0000 Buried
92 N D -1.4608 Soluble
93 S D -1.4001 Soluble
94 L D 0.0000 Buried
95 R D -2.9001 Soluble
96 A D -1.9998 Soluble
97 E D -2.4682 Soluble
98 D D 0.0000 Buried
99 T D -0.7718 Soluble
100 A D 0.0000 Buried
101 V D 0.2466 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
105 S D 0.0000 Buried
106 R D -0.0187 Soluble
107 W D 0.0000 Buried
108 G D -0.3914 Soluble
109 G D -1.2413 Soluble
110 D D -1.9774 Soluble
111 G D -0.9542 Soluble
112 F D -0.0148 Soluble
113 Y D 0.5201 Aggregation-prone
114 A D 0.0000 Buried
115 M D 0.0000 Buried
116 D D -0.1854 Soluble
117 Y D -0.3074 Soluble
118 W D -0.3028 Soluble
119 G D 0.0411 Aggregation-prone
121 G D -0.3018 Soluble
122 T D 0.1341 Aggregation-prone
123 L D 0.3127 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3964 Soluble
126 V D 0.0000 Buried
127 S D -1.0097 Soluble
128 S D -0.6404 Soluble
129 A D -0.4581 Soluble
130 S D -0.5699 Soluble
131 T D -0.7989 Soluble
132 K D -1.2779 Soluble
133 G D -1.3994 Soluble
134 P D 0.0000 Buried
135 S D -0.2553 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.0477 Soluble
139 L D 0.0000 Buried
140 A D -0.7990 Soluble
141 P D 0.0000 Buried
142 S D -0.6946 Soluble
143 S D -1.2040 Soluble
144 K D -1.7869 Soluble
145 S D -1.2089 Soluble
146 T D -0.9388 Soluble
147 S D -0.9107 Soluble
148 G D -0.8054 Soluble
149 G D -0.6245 Soluble
150 T D -0.4428 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.3764 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.6501 Soluble
164 P D -0.7686 Soluble
165 V D -0.7349 Soluble
166 T D -0.6304 Soluble
167 V D -0.3834 Soluble
168 S D -0.4547 Soluble
169 W D 0.0000 Buried
170 N D -0.8561 Soluble
171 S D -0.7274 Soluble
172 G D -0.6101 Soluble
173 A D -0.2865 Soluble
174 L D -0.0517 Soluble
175 T D -0.1996 Soluble
176 S D -0.1844 Soluble
177 G D -0.2126 Soluble
178 V D 0.1651 Aggregation-prone
179 H D -0.3015 Soluble
180 T D 0.0222 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.3281 Soluble
183 A D 0.2028 Aggregation-prone
184 V D 0.5315 Aggregation-prone
185 L D 1.1540 Aggregation-prone
186 Q D 0.2603 Aggregation-prone
187 S D -0.2068 Soluble
188 S D -0.2046 Soluble
189 G D 0.0879 Aggregation-prone
190 L D 0.1171 Aggregation-prone
191 Y D 0.4325 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1461 Soluble
199 V D 0.0000 Buried
200 P D -0.5153 Soluble
201 S D -0.7842 Soluble
202 S D -0.7583 Soluble
203 S D 0.0000 Buried
204 L D -0.9761 Soluble
205 G D -1.1091 Soluble
206 T D -0.8868 Soluble
207 Q D -1.5350 Soluble
208 T D -1.3512 Soluble
209 Y D 0.0000 Buried
210 I D -1.2967 Soluble
211 C D 0.0000 Buried
212 N D -1.5197 Soluble
213 V D 0.0000 Buried
214 N D -2.1364 Soluble
215 H D 0.0000 Buried
216 K D -2.8114 Soluble
217 P D -1.6162 Soluble
218 S D -1.8746 Soluble
219 N D -2.6599 Soluble
220 T D -2.1738 Soluble
221 K D -2.7627 Soluble
222 V D -1.7045 Soluble
223 D D -2.5572 Soluble
224 K D -1.9527 Soluble
225 K D -2.4157 Soluble
226 V D 0.0000 Buried
227 E D -2.4980 Soluble
228 P D -1.3349 Soluble
1 D C -2.4196 Soluble
2 I C 0.0000 Buried
3 Q C -2.2805 Soluble
4 M C 0.0000 Buried
5 T C -1.4283 Soluble
6 Q C 0.0000 Buried
7 S C -0.8941 Soluble
8 P C -0.6572 Soluble
9 S C -0.9181 Soluble
10 S C -0.8297 Soluble
11 L C -0.5667 Soluble
12 S C -0.8842 Soluble
13 A C 0.0000 Buried
14 S C -0.8085 Soluble
15 V C 0.0736 Aggregation-prone
16 G C -0.7883 Soluble
17 D C -1.6449 Soluble
18 R C -2.2807 Soluble
19 V C 0.0000 Buried
20 T C -0.6215 Soluble
21 I C 0.0000 Buried
22 T C -0.7894 Soluble
23 C C 0.0000 Buried
24 R C -2.8559 Soluble
25 A C 0.0000 Buried
26 S C -2.1306 Soluble
27 Q C -2.6743 Soluble
28 D C -2.7763 Soluble
29 V C 0.0000 Buried
36 N C -1.9438 Soluble
37 T C -1.0427 Soluble
38 A C -0.0846 Soluble
39 V C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -1.7810 Soluble
46 P C -1.6147 Soluble
47 G C -1.6033 Soluble
48 K C -2.4408 Soluble
49 A C -1.4393 Soluble
50 P C 0.0000 Buried
51 K C -1.6472 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 1.1993 Aggregation-prone
56 S C 0.4972 Aggregation-prone
57 A C 0.0000 Buried
65 S C 0.6550 Aggregation-prone
66 F C 2.2389 Aggregation-prone
67 L C 1.5448 Aggregation-prone
68 Y C 0.6510 Aggregation-prone
69 S C 0.0388 Aggregation-prone
70 G C -0.4636 Soluble
71 V C 0.0000 Buried
72 P C -0.3126 Soluble
74 S C -0.3498 Soluble
75 R C -0.7105 Soluble
76 F C 0.0000 Buried
77 S C 0.1818 Aggregation-prone
78 G C 0.0663 Aggregation-prone
79 S C -0.7357 Soluble
80 R C -1.9027 Soluble
83 S C -1.5002 Soluble
84 G C -1.9236 Soluble
85 T C -2.3062 Soluble
86 D C -2.1544 Soluble
87 F C 0.0000 Buried
88 T C -0.8494 Soluble
89 L C 0.0000 Buried
90 T C -0.6007 Soluble
91 I C 0.0000 Buried
92 S C -1.3774 Soluble
93 S C -1.1861 Soluble
94 L C 0.0000 Buried
95 Q C -0.7935 Soluble
96 P C -0.7830 Soluble
97 E C -1.3756 Soluble
98 D C 0.0000 Buried
99 F C -0.5952 Soluble
100 A C 0.0000 Buried
101 T C -0.9865 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 H C 0.4339 Aggregation-prone
108 Y C 0.6247 Aggregation-prone
109 T C 0.1911 Aggregation-prone
114 T C -0.5071 Soluble
115 P C -0.9582 Soluble
116 P C 0.0000 Buried
117 T C -0.7225 Soluble
118 F C -0.5424 Soluble
119 G C 0.0000 Buried
120 Q C -1.8993 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -1.6888 Soluble
124 V C 0.0000 Buried
125 E C -1.2465 Soluble
126 I C -0.9188 Soluble
127 K C -1.6310 Soluble
128 R C -1.1237 Soluble
129 T C -0.2220 Soluble
130 V C 0.2430 Aggregation-prone
131 A C -0.0849 Soluble
132 A C -0.0796 Soluble
133 P C -0.0552 Soluble
135 V C 0.1612 Aggregation-prone
136 F C 0.2923 Aggregation-prone
137 I C 0.1838 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.7263 Soluble
140 P C -0.8123 Soluble
141 S C -1.4460 Soluble
142 D C -2.7517 Soluble
143 E C -2.3736 Soluble
144 Q C 0.0000 Buried
145 L C -1.9357 Soluble
146 K C -2.6474 Soluble
147 S C -1.6239 Soluble
148 G C -1.3507 Soluble
149 T C -1.1266 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C -0.2509 Soluble
158 N C -0.7732 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7931 Soluble
162 R C -2.8044 Soluble
163 E C -3.1815 Soluble
164 A C -2.3160 Soluble
165 K C -2.1980 Soluble
166 V C -1.0492 Soluble
167 Q C -0.7227 Soluble
168 W C 0.0000 Buried
169 K C -0.7473 Soluble
171 D C -1.9899 Soluble
172 N C -1.6283 Soluble
173 A C -0.4146 Soluble
174 L C 0.4339 Aggregation-prone
175 K C -0.8743 Soluble
176 S C -0.8829 Soluble
177 G C -1.4625 Soluble
178 N C -1.8392 Soluble
179 S C -1.6552 Soluble
180 Q C -1.6112 Soluble
181 E C -1.9512 Soluble
182 S C -0.8697 Soluble
183 V C -0.9207 Soluble
184 T C -1.1830 Soluble
185 E C -2.2822 Soluble
186 Q C -1.8560 Soluble
187 D C -1.8289 Soluble
188 S C -1.8015 Soluble
189 K C -2.1933 Soluble
190 D C -1.6033 Soluble
191 S C -1.7290 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.8253 Soluble
199 L C 0.0000 Buried
200 T C -0.7004 Soluble
201 L C -0.8473 Soluble
202 S C -1.0234 Soluble
203 K C -1.9916 Soluble
204 A C -1.8247 Soluble
205 D C -2.5645 Soluble
206 Y C 0.0000 Buried
207 E C -3.4399 Soluble
208 K C -3.5688 Soluble
209 H C -3.1897 Soluble
210 K C -3.1726 Soluble
211 V C -1.4366 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.7671 Soluble
216 V C 0.0000 Buried
217 T C -1.1995 Soluble
218 H C 0.0000 Buried
219 Q C -1.7091 Soluble
220 G C -0.4241 Soluble
221 L C -0.2286 Soluble
222 S C -0.4548 Soluble
223 S C -0.4421 Soluble
224 P C -0.5841 Soluble
225 V C -0.0513 Soluble
226 T C -0.4936 Soluble
227 K C -0.6494 Soluble
228 S C -0.6353 Soluble
229 F C -1.0113 Soluble
230 N C -1.7741 Soluble
231 R C -2.3261 Soluble
232 G C -2.0929 Soluble
233 E C -2.1267 Soluble
234 C C -0.7505 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 -0.7698 3.8085 CSV PDB
4.5 -0.8135 3.8085 CSV PDB
5.0 -0.8638 3.8085 CSV PDB
5.5 -0.911 3.8085 CSV PDB
6.0 -0.9435 3.8085 CSV PDB
6.5 -0.9518 3.8085 CSV PDB
7.0 -0.9361 3.8085 CSV PDB
7.5 -0.9046 3.8085 CSV PDB
8.0 -0.8645 3.8085 CSV PDB
8.5 -0.818 3.8084 CSV PDB
9.0 -0.7647 3.808 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH