Ravulizumab / 5i5k

A4DAB220_5i5k_X_Y | Source PDB: 5i5k | Chains: X, Y | Done
99.13
Yes
10 Å
Yes
Avg A4D Score
-0.7228
Max Score
2.1827
Min Score
-3.6945
Total Score
-313.7
Score CDR
-0.1203
Score non-CDR
-0.7995

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYIFSNYWIQWVRQAPGQGLEWMGEILPGSGSTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDIQMTQSPSSLSASVGDRVTITCGASENIYGALNWYQQKPGKAPKLLIYGATNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQNVLNTPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) X (Heavy), Y (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 -3.6945
Maximum Score 2.1827
Average Score -0.7228
Total Score -313.7033

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

Index Residue Chain A4D Score Classification
1 Q X -1.0356 Soluble
2 V X -0.2540 Soluble
3 Q X -1.0581 Soluble
4 L X 0.0000 Buried
5 V X -0.0625 Soluble
6 Q X -0.3810 Soluble
7 S X -0.4972 Soluble
8 G X -0.3531 Soluble
9 A X 0.2007 Aggregation-prone
11 E X -0.4994 Soluble
12 V X -0.3166 Soluble
13 K X -1.9519 Soluble
14 K X -2.5678 Soluble
15 P X -2.4913 Soluble
16 G X -1.8316 Soluble
17 A X -1.5263 Soluble
18 S X -1.6883 Soluble
19 V X 0.0000 Buried
20 K X -1.7371 Soluble
21 V X 0.0000 Buried
22 S X -0.5473 Soluble
23 C X 0.0000 Buried
24 K X -0.8528 Soluble
25 A X 0.0000 Buried
26 S X -0.4372 Soluble
27 G X -0.5591 Soluble
28 Y X 0.5077 Aggregation-prone
29 I X 1.6364 Aggregation-prone
30 F X 0.0000 Buried
35 S X -0.4049 Soluble
36 N X -0.5745 Soluble
37 Y X 0.6167 Aggregation-prone
38 W X 0.4273 Aggregation-prone
39 I X 0.0000 Buried
40 Q X 0.0000 Buried
41 W X 0.0000 Buried
42 V X 0.0000 Buried
43 R X 0.0000 Buried
44 Q X -0.5555 Soluble
45 A X -1.0281 Soluble
46 P X -0.8986 Soluble
47 G X -1.2933 Soluble
48 Q X -1.8765 Soluble
49 G X -1.4341 Soluble
50 L X 0.0000 Buried
51 E X -1.0203 Soluble
52 W X 0.0000 Buried
53 M X 0.0000 Buried
54 G X 0.0000 Buried
55 E X -0.4268 Soluble
56 I X 0.0000 Buried
57 L X -0.4649 Soluble
58 P X 0.0000 Buried
59 G X -1.0984 Soluble
62 S X -0.7832 Soluble
63 G X -0.8650 Soluble
64 S X -0.6665 Soluble
65 T X -0.7074 Soluble
66 E X -1.5651 Soluble
67 Y X -1.6856 Soluble
68 T X -2.1178 Soluble
69 E X -3.2882 Soluble
70 N X -2.7427 Soluble
71 F X -2.2874 Soluble
72 K X -3.3288 Soluble
74 D X -3.2699 Soluble
75 R X -2.9631 Soluble
76 V X -1.6128 Soluble
77 T X -1.1356 Soluble
78 M X 0.0000 Buried
79 T X -0.6049 Soluble
80 R X -1.3116 Soluble
81 D X -1.3005 Soluble
82 T X -0.8155 Soluble
83 S X -0.5713 Soluble
84 T X -0.6280 Soluble
85 S X -0.5832 Soluble
86 T X 0.0000 Buried
87 V X 0.0000 Buried
88 Y X -0.5196 Soluble
89 M X 0.0000 Buried
90 E X -1.4463 Soluble
91 L X 0.0000 Buried
92 S X -1.7113 Soluble
93 S X -1.6497 Soluble
94 L X 0.0000 Buried
95 R X -3.2943 Soluble
96 S X -2.5516 Soluble
97 E X -2.6709 Soluble
98 D X -1.9403 Soluble
99 T X -1.0354 Soluble
100 A X 0.0000 Buried
101 V X 0.5226 Aggregation-prone
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 A X 0.0000 Buried
106 R X 0.0000 Buried
107 Y X 0.9550 Aggregation-prone
108 F X 1.3945 Aggregation-prone
109 F X 2.1827 Aggregation-prone
110 G X 0.0000 Buried
111 S X 0.1071 Aggregation-prone
111A S X -0.2105 Soluble
112A P X -0.1517 Soluble
112 N X -0.0495 Soluble
113 W X 0.9387 Aggregation-prone
114 Y X 0.7321 Aggregation-prone
115 F X 0.0000 Buried
116 D X -0.2446 Soluble
117 V X -0.2118 Soluble
118 W X -0.5750 Soluble
119 G X 0.0000 Buried
120 Q X -1.2917 Soluble
121 G X -0.5382 Soluble
122 T X 0.0000 Buried
123 L X 1.3379 Aggregation-prone
124 V X 0.0000 Buried
125 T X -0.5557 Soluble
126 V X 0.0000 Buried
127 S X -0.8395 Soluble
128 S X -0.6731 Soluble
129 A X -0.5118 Soluble
130 S X -0.6265 Soluble
131 T X -0.7733 Soluble
132 K X -1.2701 Soluble
133 G X -1.3172 Soluble
134 P X 0.0000 Buried
135 S X -0.5593 Soluble
136 V X 0.0000 Buried
137 F X 0.0000 Buried
138 P X -1.0968 Soluble
139 L X 0.0000 Buried
140 A X -0.7101 Soluble
141 P X -0.6427 Soluble
142 S X -0.9353 Soluble
143 S X -1.1706 Soluble
144 K X -1.9042 Soluble
145 S X -1.0759 Soluble
146 T X -1.0424 Soluble
147 S X -1.0112 Soluble
148 G X -1.1015 Soluble
149 G X -0.8978 Soluble
150 T X -0.5596 Soluble
151 A X 0.0000 Buried
152 A X 0.0000 Buried
153 L X 0.0000 Buried
154 G X 0.0000 Buried
155 C X 0.0000 Buried
156 L X 0.0000 Buried
157 V X 0.0000 Buried
158 K X 0.0000 Buried
159 D X -0.4992 Soluble
160 Y X 0.0000 Buried
161 F X 0.0000 Buried
162 P X -1.0487 Soluble
163 E X -1.4693 Soluble
164 P X -1.1771 Soluble
165 V X -0.8542 Soluble
166 T X -0.6319 Soluble
167 V X -0.3668 Soluble
168 S X -0.3694 Soluble
169 W X 0.0000 Buried
170 N X -0.6502 Soluble
171 S X -0.5011 Soluble
172 G X -0.5565 Soluble
173 A X -0.2521 Soluble
174 L X -0.0083 Soluble
175 T X -0.1836 Soluble
176 S X -0.5303 Soluble
177 G X -0.6377 Soluble
178 V X -0.0093 Soluble
179 H X -0.4347 Soluble
180 T X 0.0120 Aggregation-prone
181 F X 0.0000 Buried
182 P X -0.4605 Soluble
183 A X -0.1890 Soluble
184 V X 0.1337 Aggregation-prone
185 L X 0.6280 Aggregation-prone
186 Q X -0.1628 Soluble
187 S X -0.3404 Soluble
188 S X -0.3217 Soluble
189 G X -0.2325 Soluble
190 L X 0.0000 Buried
191 Y X 0.0000 Buried
192 S X 0.0000 Buried
193 L X 0.0000 Buried
194 S X 0.0000 Buried
195 S X 0.0000 Buried
196 V X 0.0000 Buried
197 V X 0.0000 Buried
198 T X -0.0422 Soluble
199 V X -0.1236 Soluble
200 P X -0.5903 Soluble
201 S X -0.7089 Soluble
202 S X -0.7556 Soluble
203 S X -0.6687 Soluble
204 L X -0.9503 Soluble
205 G X -1.2161 Soluble
206 T X -1.1951 Soluble
207 Q X -1.6015 Soluble
208 T X -1.3163 Soluble
209 Y X 0.0000 Buried
210 I X -1.1295 Soluble
211 C X 0.0000 Buried
212 N X -1.3979 Soluble
213 V X 0.0000 Buried
214 N X -1.8136 Soluble
215 H X 0.0000 Buried
216 K X -2.7767 Soluble
217 P X -1.7525 Soluble
218 S X -1.9214 Soluble
219 N X -2.5042 Soluble
220 T X -2.0254 Soluble
221 K X -2.6157 Soluble
222 V X -1.4468 Soluble
223 D X -2.4049 Soluble
224 K X 0.0000 Buried
225 R X -2.5370 Soluble
226 V X 0.0000 Buried
227 E X -2.5006 Soluble
1 D Y -2.5493 Soluble
2 I Y 0.0000 Buried
3 Q Y -2.0953 Soluble
4 M Y 0.0000 Buried
5 T Y -0.8675 Soluble
6 Q Y 0.0000 Buried
7 S Y -0.4859 Soluble
8 P Y -0.6154 Soluble
9 S Y -0.8318 Soluble
10 S Y -0.7311 Soluble
11 L Y -0.2216 Soluble
12 S Y -0.9619 Soluble
13 A Y 0.0000 Buried
14 S Y -0.4349 Soluble
15 V Y 0.8241 Aggregation-prone
16 G Y -0.3321 Soluble
17 D Y -1.0911 Soluble
18 R Y -1.9587 Soluble
19 V Y -0.9331 Soluble
20 T Y -0.3959 Soluble
21 I Y 0.0000 Buried
22 T Y -0.5136 Soluble
23 C Y 0.0000 Buried
24 G Y -1.4116 Soluble
25 A Y -1.5885 Soluble
26 S Y -2.0927 Soluble
27 E Y -2.7639 Soluble
28 N Y -1.3012 Soluble
29 I Y 0.0000 Buried
36 Y Y 0.5676 Aggregation-prone
37 G Y 0.1386 Aggregation-prone
38 A Y 0.0000 Buried
39 L Y 0.0000 Buried
40 N Y 0.0000 Buried
41 W Y 0.0000 Buried
42 Y Y 0.0000 Buried
43 Q Y 0.0000 Buried
44 Q Y 0.0000 Buried
45 K Y -1.9294 Soluble
46 P Y -1.4078 Soluble
47 G Y -1.6522 Soluble
48 K Y -2.6531 Soluble
49 A Y -1.7354 Soluble
50 P Y 0.0000 Buried
51 K Y -1.9651 Soluble
52 L Y -0.8158 Soluble
53 L Y 0.0000 Buried
54 I Y 0.0000 Buried
55 Y Y -0.2279 Soluble
56 G Y -0.4366 Soluble
57 A Y 0.0000 Buried
65 T Y -0.8032 Soluble
66 N Y -1.3260 Soluble
67 L Y -0.6023 Soluble
68 A Y -1.1069 Soluble
69 D Y -1.9595 Soluble
70 G Y -1.2301 Soluble
71 V Y -1.0237 Soluble
72 P Y -0.9884 Soluble
74 S Y -1.0079 Soluble
75 R Y -1.9147 Soluble
76 F Y 0.0000 Buried
77 S Y -0.8179 Soluble
78 G Y -0.4777 Soluble
79 S Y -0.8195 Soluble
80 G Y -0.7234 Soluble
83 S Y -0.6106 Soluble
84 G Y -0.8743 Soluble
85 T Y -1.4930 Soluble
86 D Y -2.1239 Soluble
87 F Y 0.0000 Buried
88 T Y -0.6345 Soluble
89 L Y 0.0000 Buried
90 T Y -0.7209 Soluble
91 I Y 0.0000 Buried
92 S Y -1.5629 Soluble
93 S Y -1.1515 Soluble
94 L Y 0.0000 Buried
95 Q Y -0.9316 Soluble
96 P Y -0.8140 Soluble
97 E Y -1.9953 Soluble
98 D Y 0.0000 Buried
99 F Y -0.2452 Soluble
100 A Y -0.7352 Soluble
101 T Y -0.7877 Soluble
102 Y Y 0.0000 Buried
103 Y Y 0.0000 Buried
104 C Y 0.0000 Buried
105 Q Y 0.0000 Buried
106 N Y 0.0000 Buried
107 V Y 0.0000 Buried
108 L Y 0.3064 Aggregation-prone
109 N Y -1.3790 Soluble
114 T Y -0.8407 Soluble
115 P Y -1.1269 Soluble
116 L Y -0.3217 Soluble
117 T Y -0.4427 Soluble
118 F Y -0.4949 Soluble
119 G Y 0.0000 Buried
120 Q Y -1.6023 Soluble
121 G Y -1.3022 Soluble
122 T Y 0.0000 Buried
123 K Y -1.4284 Soluble
124 V Y 0.0000 Buried
125 E Y 0.0000 Buried
126 I Y -0.3613 Soluble
127 K Y -1.0826 Soluble
128 R Y -1.5476 Soluble
129 T Y -0.3525 Soluble
130 V Y 1.0709 Aggregation-prone
131 A Y 0.2124 Aggregation-prone
132 A Y 0.1276 Aggregation-prone
133 P Y -0.0713 Soluble
134 S Y -0.1221 Soluble
135 V Y 0.0000 Buried
136 F Y 0.0631 Aggregation-prone
137 I Y 0.0000 Buried
138 F Y 0.0000 Buried
139 P Y -0.0794 Soluble
140 P Y -0.5549 Soluble
141 S Y -1.4362 Soluble
142 D Y -2.6973 Soluble
143 E Y -2.5372 Soluble
144 Q Y 0.0000 Buried
145 L Y -1.7823 Soluble
146 K Y -2.5751 Soluble
147 S Y -1.5388 Soluble
148 G Y -1.0592 Soluble
149 T Y -0.8127 Soluble
150 A Y 0.0000 Buried
151 S Y 0.0000 Buried
152 V Y 0.0000 Buried
153 V Y 0.0000 Buried
154 C Y 0.0000 Buried
155 L Y 0.0000 Buried
156 L Y 0.0000 Buried
157 N Y -0.4013 Soluble
158 N Y -0.9656 Soluble
159 F Y 0.0000 Buried
160 Y Y 0.0000 Buried
161 P Y -1.3274 Soluble
162 R Y -2.3065 Soluble
163 E Y -2.7760 Soluble
164 A Y -2.1783 Soluble
165 K Y -2.2518 Soluble
166 V Y -1.3562 Soluble
167 Q Y -0.8446 Soluble
168 W Y 0.0000 Buried
169 K Y -0.9972 Soluble
170 V Y 0.0000 Buried
171 D Y -1.9235 Soluble
172 N Y -1.5431 Soluble
173 A Y -0.5078 Soluble
174 L Y 0.5389 Aggregation-prone
175 Q Y -0.1654 Soluble
176 S Y -0.4883 Soluble
177 G Y -0.8712 Soluble
178 N Y -1.1066 Soluble
179 S Y -1.0860 Soluble
180 Q Y -1.5037 Soluble
181 E Y -1.9126 Soluble
182 S Y -0.7842 Soluble
183 V Y -0.8124 Soluble
184 T Y 0.0000 Buried
185 E Y -2.1817 Soluble
186 Q Y -2.1204 Soluble
187 D Y -2.1329 Soluble
188 S Y -1.9770 Soluble
189 K Y -2.7029 Soluble
190 D Y -2.4704 Soluble
191 S Y -2.0953 Soluble
192 T Y 0.0000 Buried
193 Y Y 0.0000 Buried
194 S Y 0.0000 Buried
195 L Y 0.0000 Buried
196 S Y 0.0000 Buried
197 S Y 0.0000 Buried
198 T Y 0.0000 Buried
199 L Y 0.0000 Buried
200 T Y -0.3937 Soluble
201 L Y -0.6197 Soluble
202 S Y -1.1431 Soluble
203 K Y -2.1078 Soluble
204 A Y -1.9930 Soluble
205 D Y -3.0398 Soluble
206 Y Y 0.0000 Buried
207 E Y -3.6877 Soluble
208 K Y -3.6945 Soluble
209 H Y -2.9657 Soluble
210 K Y -2.6687 Soluble
211 V Y -0.5937 Soluble
212 Y Y 0.0000 Buried
213 A Y -0.7347 Soluble
214 C Y 0.0000 Buried
215 E Y -0.9282 Soluble
216 V Y 0.0000 Buried
217 T Y -0.9862 Soluble
218 H Y 0.0000 Buried
219 Q Y -1.5984 Soluble
220 G Y -0.2263 Soluble
221 L Y -0.1252 Soluble
222 S Y -0.4537 Soluble
223 S Y -0.3294 Soluble
224 P Y -0.4715 Soluble
225 V Y 0.1665 Aggregation-prone
226 T Y -0.3457 Soluble
227 K Y -0.3607 Soluble
228 S Y -0.3107 Soluble
229 F Y -0.3212 Soluble
230 N Y -1.5328 Soluble
231 R Y -2.1825 Soluble
232 G Y -2.0227 Soluble
233 E Y -2.5861 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 -0.6542 5.0259 CSV PDB
4.5 -0.7044 5.0059 CSV PDB
5.0 -0.7636 4.9837 CSV PDB
5.5 -0.82 4.9608 CSV PDB
6.0 -0.8616 4.9377 CSV PDB
6.5 -0.8792 4.9145 CSV PDB
7.0 -0.8727 4.8915 CSV PDB
7.5 -0.8501 4.8689 CSV PDB
8.0 -0.8188 4.8476 CSV PDB
8.5 -0.7814 4.8295 CSV PDB
9.0 -0.737 4.8171 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH