Fresolimumab / 4kxz

A4DAB120_4kxz_Q_P | Source PDB: 4kxz | Chains: Q, P | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6584
Max Score
2.311
Min Score
-3.9013
Total Score
-283.13
Score CDR
0.2021
Score non-CDR
-0.7666

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) Q (Heavy), P (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 -3.9013
Maximum Score 2.311
Average Score -0.6584
Total Score -283.127

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

Index Residue Chain A4D Score Classification
1 Q Q -0.6850 Soluble
2 V Q 0.8213 Aggregation-prone
3 Q Q -0.1917 Soluble
4 L Q 0.0000 Buried
5 V Q 0.3253 Aggregation-prone
6 Q Q 0.0000 Buried
7 S Q -0.5401 Soluble
8 G Q -0.5009 Soluble
9 A Q -0.0501 Soluble
11 E Q -0.6242 Soluble
12 V Q 0.0130 Aggregation-prone
13 K Q -1.3393 Soluble
14 K Q -2.2416 Soluble
15 P Q -2.0211 Soluble
16 G Q -1.5501 Soluble
17 S Q -1.2569 Soluble
18 S Q -1.4003 Soluble
19 V Q 0.0000 Buried
20 K Q -2.1995 Soluble
21 V Q 0.0000 Buried
22 S Q -0.6487 Soluble
23 C Q 0.0000 Buried
24 K Q -0.9614 Soluble
25 A Q 0.0000 Buried
26 S Q -0.0534 Soluble
27 G Q 0.0693 Aggregation-prone
28 Y Q 1.4331 Aggregation-prone
29 T Q 0.0000 Buried
30 F Q 0.0000 Buried
35 S Q 0.8810 Aggregation-prone
36 S Q 0.2856 Aggregation-prone
37 N Q 0.5328 Aggregation-prone
38 V Q 0.0000 Buried
39 I Q 0.0000 Buried
40 S Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q -0.3911 Soluble
44 Q Q -0.6376 Soluble
45 A Q -0.9827 Soluble
46 P Q -0.9826 Soluble
47 G Q -1.2491 Soluble
48 Q Q -1.8739 Soluble
49 G Q -1.3054 Soluble
50 L Q 0.0000 Buried
51 E Q -0.5624 Soluble
52 W Q 0.0000 Buried
53 M Q 0.0000 Buried
54 G Q 0.0000 Buried
55 G Q 0.0000 Buried
56 V Q 0.0000 Buried
57 I Q 1.6008 Aggregation-prone
58 P Q 0.8294 Aggregation-prone
59 I Q 2.2612 Aggregation-prone
62 V Q 2.3110 Aggregation-prone
63 D Q 0.2942 Aggregation-prone
64 I Q 1.8452 Aggregation-prone
65 A Q 0.5800 Aggregation-prone
66 N Q -0.2712 Soluble
67 Y Q -1.0242 Soluble
68 A Q 0.0000 Buried
69 Q Q -2.6971 Soluble
70 R Q -2.5511 Soluble
71 F Q 0.0000 Buried
72 K Q -2.7191 Soluble
74 G Q -1.8841 Soluble
75 R Q -1.6102 Soluble
76 V Q 0.0000 Buried
77 T Q -1.0434 Soluble
78 I Q 0.0000 Buried
79 T Q -0.3597 Soluble
80 A Q -0.3725 Soluble
81 D Q -1.7274 Soluble
82 E Q -1.9013 Soluble
83 S Q -1.3235 Soluble
84 T Q -1.1740 Soluble
85 S Q -0.9138 Soluble
86 T Q 0.0000 Buried
87 T Q 0.0000 Buried
88 Y Q -0.7584 Soluble
89 M Q 0.0000 Buried
90 E Q -1.7505 Soluble
91 L Q 0.0000 Buried
92 S Q -1.2169 Soluble
93 S Q -1.1870 Soluble
94 L Q 0.0000 Buried
95 R Q -2.8103 Soluble
96 S Q -2.2302 Soluble
97 E Q -2.4766 Soluble
98 D Q 0.0000 Buried
99 T Q -0.8421 Soluble
100 A Q 0.0000 Buried
101 V Q 0.3163 Aggregation-prone
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 S Q 0.0000 Buried
107 T Q 0.0000 Buried
108 L Q 0.6805 Aggregation-prone
109 G Q 0.5736 Aggregation-prone
110 L Q 1.8254 Aggregation-prone
111 V Q 1.5941 Aggregation-prone
112 L Q 0.7845 Aggregation-prone
113 D Q 0.0000 Buried
114 A Q 0.0000 Buried
115 M Q 0.0000 Buried
116 D Q -0.2054 Soluble
117 Y Q 0.4262 Aggregation-prone
118 W Q -0.1815 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.1187 Soluble
121 G Q -0.4742 Soluble
122 T Q 0.0000 Buried
123 L Q 0.7196 Aggregation-prone
124 V Q 0.0000 Buried
125 T Q -0.5370 Soluble
126 V Q 0.0000 Buried
127 S Q -0.9471 Soluble
128 S Q -0.9308 Soluble
129 A Q -0.5669 Soluble
130 S Q -0.5783 Soluble
131 T Q -0.7170 Soluble
132 K Q -1.1960 Soluble
133 G Q -1.3330 Soluble
134 P Q -0.5859 Soluble
135 S Q -0.4303 Soluble
136 V Q 0.0000 Buried
137 F Q 0.0000 Buried
138 P Q -1.3423 Soluble
139 L Q 0.0000 Buried
140 A Q 0.0000 Buried
141 P Q -0.3292 Soluble
142 C Q 0.0307 Aggregation-prone
143 S Q -0.3083 Soluble
144 E Q -2.0218 Soluble
145 S Q -1.2301 Soluble
146 T Q -0.8372 Soluble
147 A Q -0.5342 Soluble
148 A Q 0.0000 Buried
149 L Q 0.0000 Buried
150 G Q 0.0000 Buried
151 C Q 0.0000 Buried
152 L Q 0.0000 Buried
153 V Q 0.0000 Buried
154 K Q 0.0000 Buried
155 D Q -0.4226 Soluble
156 Y Q 0.0000 Buried
157 F Q 0.0000 Buried
158 P Q -0.8857 Soluble
159 E Q -1.0837 Soluble
160 P Q -1.0476 Soluble
161 V Q -0.8062 Soluble
162 T Q -0.6645 Soluble
163 V Q -0.2208 Soluble
164 S Q -0.4845 Soluble
165 W Q 0.0000 Buried
166 N Q -1.0462 Soluble
167 S Q -0.7910 Soluble
168 G Q -0.5485 Soluble
169 A Q -0.2432 Soluble
170 L Q -0.0635 Soluble
171 T Q -0.1599 Soluble
172 S Q -0.1568 Soluble
173 G Q -0.1510 Soluble
174 V Q 0.1740 Aggregation-prone
175 H Q -0.3282 Soluble
176 T Q 0.0114 Aggregation-prone
177 F Q 0.0000 Buried
178 P Q -0.3523 Soluble
179 A Q 0.1079 Aggregation-prone
180 V Q 0.5395 Aggregation-prone
181 L Q 0.9195 Aggregation-prone
182 Q Q 0.2100 Aggregation-prone
183 S Q -0.1344 Soluble
184 S Q -0.2174 Soluble
185 G Q -0.0052 Soluble
186 L Q 0.0099 Aggregation-prone
187 Y Q 0.2124 Aggregation-prone
188 S Q 0.1423 Aggregation-prone
189 L Q 0.0000 Buried
190 S Q 0.0000 Buried
191 S Q 0.0000 Buried
192 V Q 0.0000 Buried
193 V Q 0.0000 Buried
194 T Q -0.0996 Soluble
195 V Q 0.0000 Buried
196 P Q -0.5943 Soluble
197 S Q -0.7458 Soluble
198 S Q -0.7925 Soluble
199 S Q -0.7664 Soluble
200 L Q -0.8535 Soluble
201 G Q -1.1320 Soluble
202 T Q -1.0885 Soluble
203 K Q -1.8485 Soluble
204 T Q -1.4640 Soluble
205 Y Q 0.0000 Buried
206 T Q -1.6779 Soluble
207 C Q 0.0000 Buried
208 N Q -1.7507 Soluble
209 V Q 0.0000 Buried
210 D Q -1.9386 Soluble
211 H Q 0.0000 Buried
212 K Q -2.7927 Soluble
213 P Q -1.6917 Soluble
214 S Q -1.8026 Soluble
215 N Q -2.5786 Soluble
216 T Q -2.0666 Soluble
217 K Q -2.7197 Soluble
218 V Q -1.7182 Soluble
219 D Q -2.7656 Soluble
220 K Q -2.3978 Soluble
221 R Q -2.7255 Soluble
222 V Q 0.0000 Buried
223 H Q -2.2181 Soluble
224 H Q -1.7679 Soluble
225 H Q -1.7322 Soluble
1 E P -1.8858 Soluble
2 T P 0.0000 Buried
3 V P 0.6808 Aggregation-prone
4 L P 0.0000 Buried
5 T P -0.8116 Soluble
6 Q P 0.0000 Buried
7 S P -0.8823 Soluble
8 P P -0.4709 Soluble
9 G P -0.8040 Soluble
10 T P -0.4949 Soluble
11 L P -0.1997 Soluble
12 S P -0.5859 Soluble
13 L P -1.0963 Soluble
14 S P -1.6014 Soluble
15 P P -1.9994 Soluble
16 G P -2.2424 Soluble
17 E P -2.8867 Soluble
18 R P -3.0903 Soluble
19 A P 0.0000 Buried
20 T P -0.6347 Soluble
21 L P 0.0000 Buried
22 S P -0.9282 Soluble
23 C P 0.0000 Buried
24 R P -2.2800 Soluble
25 A P 0.0000 Buried
26 S P -0.8077 Soluble
27 Q P -1.4069 Soluble
28 S P -1.2334 Soluble
29 L P 0.0000 Buried
30 G P -0.5375 Soluble
36 S P -0.6020 Soluble
37 S P -0.0661 Soluble
38 Y P 0.3268 Aggregation-prone
39 L P 0.0000 Buried
40 A P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P 0.0000 Buried
45 K P -1.6283 Soluble
46 P P -1.4671 Soluble
47 G P -1.4952 Soluble
48 Q P -2.1107 Soluble
49 A P -1.2984 Soluble
50 P P 0.0000 Buried
51 R P -1.2642 Soluble
52 L P 0.0000 Buried
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P 0.2903 Aggregation-prone
56 G P -0.0114 Soluble
57 A P 0.0000 Buried
65 S P -0.5343 Soluble
66 S P -0.6032 Soluble
67 R P -1.4076 Soluble
68 A P 0.0000 Buried
69 P P -0.7491 Soluble
70 G P -0.8887 Soluble
71 I P -0.9816 Soluble
72 P P -1.2136 Soluble
74 D P -2.3356 Soluble
75 R P -2.0560 Soluble
76 F P 0.0000 Buried
77 S P -0.8883 Soluble
78 G P -0.4572 Soluble
79 S P -0.6817 Soluble
80 G P -1.1236 Soluble
83 S P -0.9010 Soluble
84 G P -1.1723 Soluble
85 T P -1.7275 Soluble
86 D P -2.2263 Soluble
87 F P 0.0000 Buried
88 T P -0.7685 Soluble
89 L P 0.0000 Buried
90 T P -0.8084 Soluble
91 I P 0.0000 Buried
92 S P -2.5097 Soluble
93 R P -3.4320 Soluble
94 L P 0.0000 Buried
95 E P -2.4787 Soluble
96 P P -1.6681 Soluble
97 E P -2.3861 Soluble
98 D P 0.0000 Buried
99 F P 0.0000 Buried
100 A P 0.0000 Buried
101 V P -0.1911 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 Q P 0.0000 Buried
106 Q P 0.0000 Buried
107 Y P 0.0000 Buried
108 A P -0.5912 Soluble
109 D P -1.6715 Soluble
114 S P -1.2628 Soluble
115 P P -1.3108 Soluble
116 I P 0.0000 Buried
117 T P 0.0000 Buried
118 F P 0.1131 Aggregation-prone
119 G P 0.0000 Buried
120 Q P -1.3134 Soluble
121 G P 0.0000 Buried
122 T P 0.0000 Buried
123 R P -0.3968 Soluble
124 L P 0.0000 Buried
125 E P 0.0000 Buried
126 I P -0.7932 Soluble
127 K P -1.5485 Soluble
128 R P -1.0008 Soluble
129 T P -0.0516 Soluble
130 V P 0.6834 Aggregation-prone
131 A P 0.2316 Aggregation-prone
132 A P -0.0792 Soluble
133 P P 0.0000 Buried
134 S P -0.2294 Soluble
135 V P 0.0000 Buried
136 F P 0.0000 Buried
137 I P 0.0000 Buried
138 F P 0.0000 Buried
139 P P 0.0000 Buried
140 P P 0.0000 Buried
141 S P 0.0000 Buried
142 D P -3.3022 Soluble
143 E P -3.2624 Soluble
144 Q P 0.0000 Buried
145 L P -2.4127 Soluble
146 K P -2.9601 Soluble
147 S P -1.8145 Soluble
148 G P -1.6572 Soluble
149 T P -1.2794 Soluble
150 A P 0.0000 Buried
151 S P 0.0000 Buried
152 V P 0.0000 Buried
153 V P 0.0000 Buried
154 C P 0.0000 Buried
155 L P 0.0000 Buried
156 L P 0.0000 Buried
157 N P 0.0000 Buried
158 N P -0.8586 Soluble
159 F P 0.0000 Buried
160 Y P 0.0000 Buried
161 P P -1.6500 Soluble
162 R P -3.0366 Soluble
163 E P -3.1722 Soluble
164 A P -2.3042 Soluble
165 K P -2.3241 Soluble
166 V P -1.0871 Soluble
167 Q P -0.7384 Soluble
168 W P 0.0000 Buried
169 K P -0.7354 Soluble
170 V P 0.0000 Buried
171 D P -1.8147 Soluble
172 N P -1.4204 Soluble
173 A P -0.4343 Soluble
174 L P 0.2923 Aggregation-prone
175 Q P -0.2971 Soluble
176 S P -0.5557 Soluble
177 G P -0.8515 Soluble
178 N P -0.7527 Soluble
179 S P -0.9354 Soluble
180 Q P -1.0480 Soluble
181 E P -1.3182 Soluble
182 S P -0.5376 Soluble
183 V P -0.6991 Soluble
184 T P -1.2120 Soluble
185 E P -2.3070 Soluble
186 Q P -1.9385 Soluble
187 D P -2.1599 Soluble
188 S P -1.8181 Soluble
189 K P -2.3110 Soluble
190 D P -1.7242 Soluble
191 S P -1.7479 Soluble
192 T P 0.0000 Buried
193 Y P 0.0000 Buried
194 S P 0.0000 Buried
195 L P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 T P -0.5136 Soluble
199 L P 0.0000 Buried
200 T P -0.2430 Soluble
201 L P -0.7506 Soluble
202 S P -1.2544 Soluble
203 K P -2.4977 Soluble
204 A P -2.1575 Soluble
205 D P -3.2173 Soluble
206 Y P 0.0000 Buried
207 E P -3.9013 Soluble
208 K P -3.8062 Soluble
209 H P -3.3943 Soluble
210 K P -3.2408 Soluble
211 V P -1.6739 Soluble
212 Y P 0.0000 Buried
213 A P 0.0000 Buried
214 C P 0.0000 Buried
215 E P -0.7646 Soluble
216 V P 0.0000 Buried
217 T P -1.2631 Soluble
218 H P 0.0000 Buried
219 Q P -1.5479 Soluble
220 G P -0.3983 Soluble
221 L P -0.2561 Soluble
222 S P -0.4818 Soluble
223 S P -0.4463 Soluble
224 P P -0.5463 Soluble
225 V P -0.0453 Soluble
226 T P -0.5666 Soluble
227 K P -0.9334 Soluble
228 S P -0.7775 Soluble
229 F P 0.0000 Buried
230 N P -1.8901 Soluble
231 R P -2.3471 Soluble
232 G P -1.4085 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 -0.7255 3.768 CSV PDB
4.5 -0.7735 3.5627 CSV PDB
5.0 -0.8298 3.3445 CSV PDB
5.5 -0.8832 3.1356 CSV PDB
6.0 -0.9215 2.9252 CSV PDB
6.5 -0.9362 2.7148 CSV PDB
7.0 -0.929 2.5061 CSV PDB
7.5 -0.9083 2.3839 CSV PDB
8.0 -0.8803 2.3839 CSV PDB
8.5 -0.8464 2.3839 CSV PDB
9.0 -0.8057 2.3839 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH