Pexelizumab / 5i5k

A4DAB208_5i5k_H_L | Source PDB: 5i5k | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7101
Max Score
1.5568
Min Score
-3.7415
Total Score
-308.19
Score CDR
-0.1817
Score non-CDR
-0.7774

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYIFSNYWIQWVRQAPGQGLEWMGEILPGSGSTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDIQMTQSPSSLSASVGDRVTITCGASENIYGALNWYQQKPGKAPKLLIYGATNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQNVLNTPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7415
Maximum Score 1.5568
Average Score -0.7101
Total Score -308.1874

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

Index Residue Chain A4D Score Classification
1 Q H -1.0147 Soluble
2 V H -0.4054 Soluble
3 Q H -1.0502 Soluble
4 L H 0.0000 Buried
5 V H -0.0450 Soluble
6 Q H -0.4970 Soluble
7 S H -0.5145 Soluble
8 G H -0.5387 Soluble
9 A H 0.1276 Aggregation-prone
11 E H -0.6972 Soluble
12 V H -0.5845 Soluble
13 K H -2.0578 Soluble
14 K H -2.5897 Soluble
15 P H -2.4942 Soluble
16 G H -1.8352 Soluble
17 A H -1.5597 Soluble
18 S H -1.7167 Soluble
19 V H 0.0000 Buried
20 K H -2.0840 Soluble
21 V H 0.0000 Buried
22 S H -0.6119 Soluble
23 C H 0.0000 Buried
24 K H -0.8045 Soluble
25 A H 0.0000 Buried
26 S H -0.4174 Soluble
27 G H -0.5282 Soluble
28 Y H 0.5473 Aggregation-prone
29 I H 1.5568 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.4103 Soluble
36 N H -0.6273 Soluble
37 Y H 0.3885 Aggregation-prone
38 W H 0.2002 Aggregation-prone
39 I H 0.0000 Buried
40 Q 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 -0.4510 Soluble
45 A H -0.9728 Soluble
46 P H -0.8898 Soluble
47 G H -1.2439 Soluble
48 Q H -1.9680 Soluble
49 G H -1.4618 Soluble
50 L H 0.0000 Buried
51 E H -0.9207 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 E H -0.5948 Soluble
56 I H 0.0000 Buried
57 L H -0.5245 Soluble
58 P H 0.0000 Buried
59 G H -1.0898 Soluble
62 S H -0.7688 Soluble
63 G H -0.7155 Soluble
64 S H -0.7602 Soluble
65 T H -0.9541 Soluble
66 E H -2.0981 Soluble
67 Y H -1.9952 Soluble
68 T H -2.3240 Soluble
69 E H -3.5295 Soluble
70 N H -2.9077 Soluble
71 F H 0.0000 Buried
72 K H -3.7415 Soluble
74 D H -3.3066 Soluble
75 R H -2.7659 Soluble
76 V H -1.6313 Soluble
77 T H -1.0358 Soluble
78 M H 0.0000 Buried
79 T H -0.6168 Soluble
80 R H -1.3037 Soluble
81 D H -1.2851 Soluble
82 T H -0.8125 Soluble
83 S H -0.5710 Soluble
84 T H -0.6171 Soluble
85 S H -0.5615 Soluble
86 T H -0.7002 Soluble
87 V H 0.0000 Buried
88 Y H -0.5803 Soluble
89 M H 0.0000 Buried
90 E H -1.6040 Soluble
91 L H 0.0000 Buried
92 S H -1.6472 Soluble
93 S H -1.5687 Soluble
94 L H 0.0000 Buried
95 R H -3.2478 Soluble
96 S H -2.4993 Soluble
97 E H -2.5957 Soluble
98 D H -1.7729 Soluble
99 T H -0.9838 Soluble
100 A H 0.0000 Buried
101 V H 0.6937 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0535 Aggregation-prone
107 Y H 0.0000 Buried
108 F H 1.0646 Aggregation-prone
109 F H 1.3889 Aggregation-prone
110 G H 0.4794 Aggregation-prone
111 S H -0.0815 Soluble
111A S H -0.3139 Soluble
112A P H -0.2431 Soluble
112 N H -0.2076 Soluble
113 W H 0.7050 Aggregation-prone
114 Y H 0.5116 Aggregation-prone
115 F H 0.0000 Buried
116 D H -0.3734 Soluble
117 V H -0.2443 Soluble
118 W H -0.5746 Soluble
119 G H 0.0000 Buried
120 Q H -1.2444 Soluble
121 G H -0.4903 Soluble
122 T H 0.0000 Buried
123 L H 1.2732 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.6502 Soluble
126 V H -1.5183 Soluble
127 S H -1.2598 Soluble
128 S H -0.7054 Soluble
129 A H -0.5136 Soluble
130 S H -0.7352 Soluble
131 T H -0.8277 Soluble
132 K H -1.3369 Soluble
133 G H -1.3564 Soluble
134 P H 0.0000 Buried
135 S H -0.6030 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2826 Soluble
139 L H 0.0000 Buried
140 A H -0.6865 Soluble
141 P H -0.6358 Soluble
142 S H -0.7306 Soluble
143 S H -1.2123 Soluble
144 K H -1.9321 Soluble
145 S H -1.0401 Soluble
146 T H -1.0229 Soluble
147 S H -0.9925 Soluble
148 G H -1.0824 Soluble
149 G H -0.8769 Soluble
150 T H -0.5119 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4661 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -1.1242 Soluble
163 E H -1.6714 Soluble
164 P H -1.3059 Soluble
165 V H -0.8898 Soluble
166 T H -0.6202 Soluble
167 V H -0.3246 Soluble
168 S H -0.3402 Soluble
169 W H 0.0000 Buried
170 N H -0.6161 Soluble
171 S H -0.4925 Soluble
172 G H -0.5320 Soluble
173 A H -0.2354 Soluble
174 L H 0.0029 Aggregation-prone
175 T H -0.2080 Soluble
176 S H -0.4683 Soluble
177 G H -0.5751 Soluble
178 V H -0.0030 Soluble
179 H H -0.3578 Soluble
180 T H -0.0874 Soluble
181 F H 0.0000 Buried
182 P H -0.3345 Soluble
183 A H -0.1008 Soluble
184 V H 0.2187 Aggregation-prone
185 L H 0.5414 Aggregation-prone
186 Q H -0.0950 Soluble
187 S H -0.2648 Soluble
188 S H -0.2874 Soluble
189 G H -0.1644 Soluble
190 L H 0.0000 Buried
191 Y H 0.1757 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.0602 Soluble
199 V H -0.1256 Soluble
200 P H -0.5726 Soluble
201 S H -0.6785 Soluble
202 S H -0.7336 Soluble
203 S H -0.6374 Soluble
204 L H -0.9212 Soluble
205 G H -1.2028 Soluble
206 T H -1.1832 Soluble
207 Q H -1.5923 Soluble
208 T H -1.3128 Soluble
209 Y H 0.0000 Buried
210 I H -1.1511 Soluble
211 C H 0.0000 Buried
212 N H -1.4118 Soluble
213 V H 0.0000 Buried
214 N H -1.7331 Soluble
215 H H 0.0000 Buried
216 K H -2.7799 Soluble
217 P H -1.7915 Soluble
218 S H -1.9622 Soluble
219 N H -2.4994 Soluble
220 T H -2.0109 Soluble
221 K H -2.5945 Soluble
222 V H -1.4533 Soluble
223 D H -2.4272 Soluble
224 K H 0.0000 Buried
225 R H -2.5517 Soluble
226 V H 0.0000 Buried
227 E H -2.4831 Soluble
1 D L -2.5335 Soluble
2 I L 0.0000 Buried
3 Q L -2.1417 Soluble
4 M L 0.0000 Buried
5 T L -0.9057 Soluble
6 Q L 0.0000 Buried
7 S L -0.5225 Soluble
8 P L -0.5595 Soluble
9 S L -0.7039 Soluble
10 S L -0.4880 Soluble
11 L L -0.1039 Soluble
12 S L -0.9869 Soluble
13 A L 0.0000 Buried
14 S L -0.6973 Soluble
15 V L 0.6584 Aggregation-prone
16 G L -0.3339 Soluble
17 D L -1.3176 Soluble
18 R L -1.9575 Soluble
19 V L -0.8901 Soluble
20 T L -0.3743 Soluble
21 I L 0.0000 Buried
22 T L -0.5244 Soluble
23 C L 0.0000 Buried
24 G L -1.4303 Soluble
25 A L -1.6003 Soluble
26 S L -2.1051 Soluble
27 E L -2.7600 Soluble
28 N L -1.3080 Soluble
29 I L 0.0000 Buried
36 Y L 0.5752 Aggregation-prone
37 G L 0.1114 Aggregation-prone
38 A L 0.0000 Buried
39 L L 0.0000 Buried
40 N 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 -2.0267 Soluble
46 P L -1.4496 Soluble
47 G L -1.4864 Soluble
48 K L -2.3736 Soluble
49 A L -1.5727 Soluble
50 P L 0.0000 Buried
51 K L -1.8105 Soluble
52 L L -0.8178 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 G L -0.4763 Soluble
57 A L 0.0000 Buried
65 T L -0.8153 Soluble
66 N L -1.3543 Soluble
67 L L -0.6512 Soluble
68 A L -1.1610 Soluble
69 D L -2.0165 Soluble
70 G L -1.2966 Soluble
71 V L 0.0000 Buried
72 P L -0.8426 Soluble
74 S L -0.7093 Soluble
75 R L -1.2445 Soluble
76 F L 0.0000 Buried
77 S L -0.6364 Soluble
78 G L -0.4617 Soluble
79 S L -0.8168 Soluble
80 G L -0.7463 Soluble
83 S L -0.6061 Soluble
84 G L -0.8809 Soluble
85 T L -1.5088 Soluble
86 D L -2.1319 Soluble
87 F L 0.0000 Buried
88 T L -0.6339 Soluble
89 L L 0.0000 Buried
90 T L -0.6132 Soluble
91 I L 0.0000 Buried
92 S L -1.3869 Soluble
93 S L -0.9898 Soluble
94 L L 0.0000 Buried
95 Q L -0.4941 Soluble
96 P L -0.3704 Soluble
97 E L -1.1351 Soluble
98 D L 0.0000 Buried
99 F L -0.0008 Soluble
100 A L -0.5761 Soluble
101 T L -0.7110 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 N L 0.0000 Buried
107 V L 0.0000 Buried
108 L L 0.5399 Aggregation-prone
109 N L -1.2202 Soluble
114 T L -0.8479 Soluble
115 P L -1.2152 Soluble
116 L L 0.0000 Buried
117 T L -0.5401 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6672 Soluble
121 G L -1.2826 Soluble
122 T L 0.0000 Buried
123 K L -0.9027 Soluble
124 V L -0.2518 Soluble
125 E L -0.8188 Soluble
126 I L -0.4871 Soluble
127 K L -1.3538 Soluble
128 R L -1.7629 Soluble
129 T L -0.4046 Soluble
130 V L 1.0257 Aggregation-prone
131 A L 0.3179 Aggregation-prone
132 A L 0.1753 Aggregation-prone
133 P L 0.0092 Aggregation-prone
134 S L -0.0324 Soluble
135 V L 0.0000 Buried
136 F L 0.3208 Aggregation-prone
137 I L 0.3051 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.0409 Soluble
140 P L -0.5733 Soluble
141 S L -1.4826 Soluble
142 D L -2.7649 Soluble
143 E L -2.6888 Soluble
144 Q L 0.0000 Buried
145 L L -1.8605 Soluble
146 K L -2.6520 Soluble
147 S L -1.6011 Soluble
148 G L -1.1333 Soluble
149 T L -0.6829 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 -0.3380 Soluble
158 N L -0.6649 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1711 Soluble
162 R L -1.7516 Soluble
163 E L -2.4655 Soluble
164 A L -1.9966 Soluble
165 K L -2.1897 Soluble
166 V L -1.3609 Soluble
167 Q L -0.9408 Soluble
168 W L 0.0000 Buried
169 K L -1.2672 Soluble
170 V L 0.0000 Buried
171 D L -2.0333 Soluble
172 N L -1.6284 Soluble
173 A L -0.5743 Soluble
174 L L 0.4769 Aggregation-prone
175 Q L -0.1104 Soluble
176 S L -0.4595 Soluble
177 G L -0.8275 Soluble
178 N L -0.9581 Soluble
179 S L -1.2577 Soluble
180 Q L -1.6999 Soluble
181 E L -1.8054 Soluble
182 S L -0.4377 Soluble
183 V L -0.0759 Soluble
184 T L -0.7089 Soluble
185 E L -1.9240 Soluble
186 Q L -1.8644 Soluble
187 D L -2.0149 Soluble
188 S L -1.8966 Soluble
189 K L -2.4730 Soluble
190 D L -2.0188 Soluble
191 S L -1.9642 Soluble
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 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.3473 Soluble
201 L L -0.2659 Soluble
202 S L -0.8032 Soluble
203 K L -1.8161 Soluble
204 A L -1.4918 Soluble
205 D L -2.0138 Soluble
206 Y L 0.0000 Buried
207 E L -3.3750 Soluble
208 K L -3.3890 Soluble
209 H L -2.8428 Soluble
210 K L -2.7988 Soluble
211 V L -0.8328 Soluble
212 Y L 0.0000 Buried
213 A L -0.8173 Soluble
214 C L 0.0000 Buried
215 E L -0.9969 Soluble
216 V L 0.0000 Buried
217 T L -0.9446 Soluble
218 H L 0.0000 Buried
219 Q L -1.5206 Soluble
220 G L -0.2204 Soluble
221 L L -0.0977 Soluble
222 S L -0.4351 Soluble
223 S L -0.3328 Soluble
224 P L -0.4092 Soluble
225 V L 0.3112 Aggregation-prone
226 T L -0.2550 Soluble
227 K L -0.1917 Soluble
228 S L -0.2675 Soluble
229 F L -0.3417 Soluble
230 N L -1.5855 Soluble
231 R L -2.2668 Soluble
232 G L -2.0667 Soluble
233 E L -2.5971 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 -0.6763 3.4381 CSV PDB
4.5 -0.7256 3.4189 CSV PDB
5.0 -0.7837 3.3979 CSV PDB
5.5 -0.8387 3.3762 CSV PDB
6.0 -0.8781 3.3543 CSV PDB
6.5 -0.8925 3.3324 CSV PDB
7.0 -0.8816 3.3106 CSV PDB
7.5 -0.8541 3.2893 CSV PDB
8.0 -0.8178 3.2693 CSV PDB
8.5 -0.7756 3.2526 CSV PDB
9.0 -0.7273 3.2414 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH