Comparison of CABS Dynamics with Molecular Dynamics

Using data deposited in the MoDEL database, we selected proteins satisfying the following conditions:

• sequence identity: < 30%,
• chain length: < 400 aa,
• single chain in the trajectory,
• simulation length: 10ns,

to get total of 393 Cα trajectories. Force-field for all MD trajectories: parm99, simulated using AMBER 8.0 (except of few trajectories simulated with NAMD 2.5/2.6).

#	PDB ID	rs	RMS	Chain length	CATH Class Architecture	CABS trajectory
1.	1DVO	0.44	42.79	152	Mainly Alpha, Orthogonal Bundle
2.	1EW0	0.38	33.84	130	Alpha Beta, 2-Layer Sandwich
3.	1ILK	0.48	33.84	151	Mainly Alpha, Up-down Bundle
4.	1D2P	0.29	28.14	373	Mainly Beta, Sandwich
5.	1DOL	0.73	22.92	71	Mainly Beta, Beta Barrel
6.	1MOF	0.52	22.72	53	Mainly Alpha, Orthogonal Bundle
7.	1HUP	0.59	22.48	141	Alpha Beta, Roll
8.	1JML	0.47	22.32	72	Alpha Beta, Roll
9.	1JPC	0.68	22.25	108	Mainly Beta, Orthogonal Prism
10.	1CBY	0.82	21.53	227	Alpha Beta, 3-Layer(aba) Sandwich
11.	1N81	0.71	21.43	186	Mainly Alpha, Orthogonal Bundle
12.	1WWB	0.87	20.37	103	Mainly Beta, Sandwich
13.	1BG5	0.87	19.97	254	Alpha Beta, 3-Layer(aba) Sandwich
14.	1MSC	0.86	16.99	129	Alpha Beta, 2-Layer Sandwich
15.	3EZM	0.31	15.63	101	Mainly Beta, Roll
16.	1QHV	0.85	15.31	195	Mainly Beta, Sandwich
17.	1RMR	0.59	14.53	64	Few Secondary Structures, Irregular
18.	1EJE	0.91	13.70	192	Mainly Beta, Roll
19.	1TLK	0.89	13.18	103	Mainly Beta, Sandwich
20.	1J0P	0.69	13.14	108	Alpha Beta, Alpha-Beta Complex
21.	1UB9	0.60	12.92	100	Mainly Alpha, Orthogonal Bundle
22.	1C25	0.76	11.64	161	Alpha Beta, 3-Layer(aba) Sandwich
23.	1B63	0.69	11.59	333	Alpha Beta, 2-Layer Sandwich
24.	1DOV	0.83	11.26	181	Mainly Alpha, Up-down Bundle
25.	1PIL	0.67	11.25	112	Alpha Beta, 2-Layer Sandwich
26.	1LPL	0.78	10.87	95	Mainly Beta, Roll
27.	1KPF	0.82	10.85	111	Alpha Beta, 2-Layer Sandwich
28.	1C3G	0.51	10.36	170	Mainly Beta, Sandwich
29.	1QTO	0.54	10.35	122	Alpha Beta, Roll
30.	1KXA	0.83	10.22	158	Mainly Beta, Beta Barrel
31.	1CS3	0.51	10.11	116	Alpha Beta, 2-Layer Sandwich
32.	1QTS	0.71	9.02	247	Mainly Beta, Sandwich
33.	1D1L	0.80	8.95	61	Alpha Beta, 2-Layer Sandwich
34.	1BG2	0.77	8.81	323	Alpha Beta, 3-Layer(aba) Sandwich
35.	2E2C	0.66	8.80	156	Alpha Beta, Roll
36.	1RC9	0.78	8.62	221	Alpha Beta, 3-Layer(aba) Sandwich
37.	1P7N	0.85	8.48	176	Mainly Alpha, Orthogonal Bundle
38.	1ENH	0.56	8.27	54	Mainly Alpha, Orthogonal Bundle
39.	1GS6	0.72	8.14	336	Mainly Beta, Sandwich
40.	1FSZ	0.73	8.12	334	Alpha Beta, 3-Layer(aba) Sandwich
41.	1G9O	0.64	8.05	91	Mainly Beta, Roll
42.	1J7G	0.84	7.75	144	Alpha Beta, 3-Layer(bba) Sandwich
43.	1LEO	0.72	7.63	150	Alpha Beta, 2-Layer Sandwich
44.	1B11	0.82	7.60	113	Mainly Beta, Beta Barrel
45.	1S7I	0.68	7.27	124	Alpha Beta, 2-Layer Sandwich
46.	1G2U	0.82	7.17	345	Alpha Beta, 3-Layer(aba) Sandwich
47.	1YFQ	0.88	7.14	342	Mainly Beta, 7 Propellor
48.	2OVO	0.67	7.02	56	Alpha Beta, 2-Layer Sandwich
49.	1BHP	0.72	6.97	45	Alpha Beta, 2-Layer Sandwich
50.	1JHS	0.89	6.94	188	Alpha Beta, 3-Layer(aba) Sandwich
51.	1JOB	0.70	6.92	162	Mainly Beta, Sandwich
52.	1FI2	0.74	6.87	201	Mainly Beta, Sandwich
53.	1JMW	0.76	6.86	146	Mainly Alpha, Up-down Bundle
54.	1R8N	0.84	6.70	185	Mainly Beta, Trefoil
55.	1NPI	0.56	6.67	61	Alpha Beta, 2-Layer Sandwich
56.	1VHH	0.81	6.47	157	Alpha Beta, 2-Layer Sandwich
57.	1I71	0.79	6.28	83	Mainly Beta, Beta Barrel
58.	1QAU	0.83	6.15	112	Mainly Beta, Roll
59.	1C8Z	0.86	6.00	265	Alpha Beta, Alpha-Beta Barrel
60.	1AW9	0.77	5.92	216	Alpha Beta, 3-Layer(aba) Sandwich
61.	1XDW	0.78	5.89	331	Alpha Beta, 3-Layer(aba) Sandwich
62.	1VIE	0.91	5.87	60	Mainly Beta, Roll
63.	1MIX	0.77	5.80	206	Mainly Alpha, Up-down Bundle
64.	1OMR	0.57	5.75	201	Mainly Alpha, Orthogonal Bundle
65.	1DG9	0.79	5.69	157	Alpha Beta, 3-Layer(aba) Sandwich
66.	1ORB	0.76	5.65	293	Alpha Beta, 3-Layer(aba) Sandwich
67.	1SKZ	0.74	5.59	104	Mainly Beta, Ribbon
68.	3SSI	0.86	5.53	108	Alpha Beta, 2-Layer Sandwich
69.	1VCC	0.76	5.51	77	Alpha Beta, 2-Layer Sandwich
70.	1DFX	0.75	5.44	125	Mainly Beta, Sandwich
71.	1QAZ	0.72	5.31	351	Mainly Alpha, Alpha/alpha barrel
72.	1TIS	0.81	5.30	286	Alpha Beta, 2-Layer Sandwich
73.	1NSO	0.54	5.25	107	Mainly Beta, Beta Barrel
74.	1XSM	0.68	5.20	288	Mainly Alpha, Orthogonal Bundle
75.	1IL6	0.78	5.16	166	Mainly Alpha, Up-down Bundle
76.	1GQV	0.60	5.06	135	Alpha Beta, Roll
77.	1B71	0.68	5.05	191	Mainly Alpha, Up-down Bundle
78.	1PMJ	0.61	5.05	185	Mainly Beta, Sandwich
79.	1GEN	0.81	5.03	200	Mainly Beta, 4 Propellor
80.	1YW5	0.76	5.01	177	Alpha Beta, Roll
81.	1QQH	0.77	4.99	144	Mainly Beta, Beta Complex
82.	2ERL	0.61	4.91	40	Mainly Alpha, Up-down Bundle
83.	1QIB	0.82	4.88	161	Alpha Beta, 3-Layer(aba) Sandwich
84.	1J2A	0.76	4.86	166	Mainly Beta, Beta Barrel
85.	1DUA	0.71	4.83	242	Mainly Beta, Beta Barrel
86.	1BET	0.88	4.80	107	Mainly Beta, Ribbon
87.	1EUR	0.75	4.74	361	Mainly Beta, 6 Propellor
88.	1VC2	0.83	4.72	331	Alpha Beta, 3-Layer(aba) Sandwich
89.	1IFG	0.83	4.72	140	Mainly Beta, Sandwich
90.	1CPQ	0.39	4.71	129	Mainly Alpha, Up-down Bundle
91.	1E5W	0.63	4.70	346	Alpha Beta, Roll
92.	1PHK	0.71	4.69	277	Alpha Beta, 2-Layer Sandwich
93.	1SDF	0.87	4.63	67	Mainly Beta, Beta Barrel
94.	2PRD	0.68	4.61	174	Alpha Beta, Alpha-Beta Complex
95.	2BAA	0.75	4.58	243	Mainly Alpha, Orthogonal Bundle
96.	1PI1	0.79	4.55	185	Mainly Alpha, Up-down Bundle
97.	1T2I	0.64	4.53	96	Alpha Beta, Roll
98.	1S3D	0.69	4.49	138	Alpha Beta, 3-Layer(aba) Sandwich
99.	1C75	0.47	4.48	71	Mainly Alpha, Orthogonal Bundle
100.	1DHN	0.89	4.46	121	Alpha Beta, 2-Layer Sandwich
101.	1PHT	0.71	4.41	83	Mainly Beta, Roll
102.	1OAL	0.63	4.41	151	Mainly Beta, Sandwich
103.	1IS1	0.66	4.39	185	Mainly Alpha, Orthogonal Bundle
104.	1BOL	0.68	4.35	222	Alpha Beta, Alpha-Beta Complex
105.	1FX4	0.83	4.33	231	Alpha Beta, 2-Layer Sandwich
106.	1T4W	0.85	4.33	196	Mainly Beta, Sandwich
107.	1I27	0.64	4.30	73	Mainly Alpha, Orthogonal Bundle
108.	1LBU	0.67	4.29	213	Mainly Alpha, Orthogonal Bundle
109.	1MD6	0.76	4.28	154	Mainly Beta, Trefoil
110.	1H6L	0.77	4.28	353	Mainly Beta, 6 Propellor
111.	1CFR	0.71	4.26	283	Alpha Beta, 3-Layer(aba) Sandwich
112.	1NAR	0.74	4.26	289	Alpha Beta, Alpha-Beta Barrel
113.	2IGD	0.87	4.25	61	Alpha Beta, Roll
114.	1C44	0.73	4.22	123	Alpha Beta, 2-Layer Sandwich
115.	1I6F	0.87	4.21	60	Alpha Beta, 2-Layer Sandwich
116.	1F2F	0.70	4.18	104	Alpha Beta, 2-Layer Sandwich
117.	1HYP	0.79	4.14	75	Mainly Alpha, Orthogonal Bundle
118.	1RMD	0.66	4.13	116	Alpha Beta, 2-Layer Sandwich
119.	1HQ0	0.78	4.13	295	Alpha Beta, 4-Layer Sandwich
120.	1HCZ	0.63	4.13	250	Mainly Beta, Sandwich
121.	1AD6	0.77	4.11	185	Mainly Alpha, Orthogonal Bundle
122.	1VBW	0.83	4.11	68	Alpha Beta, 2-Layer Sandwich
123.	1AK2	0.71	4.07	220	Alpha Beta, 3-Layer(aba) Sandwich
124.	1AQB	0.74	4.06	175	Mainly Beta, Beta Barrel
125.	2ACY	0.56	4.04	98	Alpha Beta, 2-Layer Sandwich
126.	1WBC	0.85	4.04	183	Mainly Beta, Trefoil
127.	1BGF	0.88	4.03	124	Mainly Alpha, Orthogonal Bundle
128.	1ICX	0.70	4.01	155	Alpha Beta, 2-Layer Sandwich
129.	1NXQ	0.73	4.01	251	Alpha Beta, 3-Layer(aba) Sandwich
130.	1KLO	0.54	3.98	162	Mainly Beta, Ribbon
131.	1YTN	0.65	3.95	283	Alpha Beta, Alpha-Beta Complex
132.	1JKW	0.59	3.94	277	Mainly Alpha, Orthogonal Bundle
133.	1QCX	0.72	3.94	359	Mainly Beta, 3 Solenoid
134.	1HLB	0.59	3.94	157	Mainly Alpha, Orthogonal Bundle
135.	1CUO	0.79	3.93	129	Mainly Beta, Sandwich
136.	1IAE	0.50	3.90	200	Alpha Beta, 3-Layer(aba) Sandwich
137.	1AGI	0.78	3.87	125	Alpha Beta, Roll
138.	3VUB	0.79	3.87	101	Mainly Beta, Roll
139.	1LXA	0.60	3.85	262	Mainly Beta, 3 Solenoid
140.	1SUR	0.80	3.85	215	Alpha Beta, 3-Layer(aba) Sandwich
141.	1NB0	0.85	3.84	147	Mainly Beta, Beta Barrel
142.	1PM1	0.83	3.83	180	Mainly Beta, Beta Barrel
143.	1EW4	0.83	3.80	106	Alpha Beta, 2-Layer Sandwich
144.	1UE8	0.44	3.78	367	Mainly Alpha, Orthogonal Bundle
145.	1SRV	0.61	3.78	145	Alpha Beta, 3-Layer(bba) Sandwich
146.	1BOY	0.75	3.77	211	Mainly Beta, Sandwich
147.	1DXH	0.80	3.75	335	Alpha Beta, 3-Layer(aba) Sandwich
148.	1GNR	0.56	3.75	166	Alpha Beta, 3-Layer(aba) Sandwich
149.	1WHI	0.78	3.74	122	Mainly Beta, Beta Barrel
150.	1P4X	0.77	3.73	250	Mainly Alpha, Orthogonal Bundle
151.	1AMX	0.52	3.73	150	Mainly Beta, Sandwich
152.	1PA2	0.67	3.72	306	Mainly Alpha, Orthogonal Bundle
153.	1TFG	0.74	3.66	112	Mainly Beta, Ribbon
154.	1QST	0.66	3.65	160	Alpha Beta, 3-Layer(aba) Sandwich
155.	1Z33	0.76	3.64	235	Alpha Beta, 3-Layer(aba) Sandwich
156.	1EZM	0.56	3.62	298	Alpha Beta, Roll
157.	1KUU	0.84	3.61	202	Alpha Beta, 4-Layer Sandwich
158.	1XBN	0.77	3.61	195	Alpha Beta, Alpha-Beta Complex
159.	1PXU	0.85	3.56	131	Mainly Beta, Beta Barrel
160.	1PJB	0.72	3.55	361	Alpha Beta, 3-Layer(aba) Sandwich
161.	1RIE	0.62	3.54	127	Mainly Beta, 3-layer Sandwich
162.	1AS0	0.55	3.54	313	Alpha Beta, 3-Layer(aba) Sandwich
163.	1BED	0.62	3.54	181	Alpha Beta, 3-Layer(aba) Sandwich
164.	1JER	0.75	3.53	110	Mainly Beta, Sandwich
165.	1TIF	0.64	3.52	76	Alpha Beta, Roll
166.	1QLJ	0.59	3.52	374	Alpha Beta, Alpha-Beta Complex
167.	1JDR	0.70	3.45	294	Mainly Alpha, Orthogonal Bundle
168.	1BQC	0.63	3.45	302	Alpha Beta, Alpha-Beta Barrel
169.	1M4L	0.61	3.45	307	Alpha Beta, 3-Layer(aba) Sandwich
170.	1HQ8	0.90	3.45	123	Alpha Beta, Roll
171.	2ARA	0.64	3.43	149	Mainly Beta, Sandwich
172.	1NE9	0.66	3.42	335	Alpha Beta, 3-Layer(aba) Sandwich
173.	1GPC	0.76	3.42	218	Alpha Beta, Alpha-Beta Complex
174.	1CS6	0.70	3.42	382	Mainly Beta, Sandwich
175.	1SFP	0.81	3.40	111	Mainly Beta, Sandwich
176.	1GHR	0.71	3.40	306	Alpha Beta, Alpha-Beta Barrel
177.	1LRV	0.60	3.40	233	Mainly Alpha, Alpha Horseshoe
178.	1BD8	0.59	3.40	156	Mainly Alpha, Alpha Horseshoe
179.	1TFU	0.66	3.39	157	Alpha Beta, 3-Layer(aba) Sandwich
180.	1L7L	0.47	3.38	121	Mainly Beta, Sandwich
181.	1CHN	0.69	3.36	126	Alpha Beta, 3-Layer(aba) Sandwich
182.	1ATU	0.72	3.35	374	Alpha Beta, 2-Layer Sandwich
183.	1LWB	0.56	3.33	122	Mainly Alpha, Up-down Bundle
184.	1EJ8	0.82	3.32	140	Mainly Beta, Sandwich
185.	1LCL	0.81	3.32	141	Mainly Beta, Sandwich
186.	1BWP	0.71	3.31	212	Alpha Beta, 3-Layer(aba) Sandwich
187.	1PDO	0.64	3.30	129	Alpha Beta, 3-Layer(aba) Sandwich
188.	1EB6	0.77	3.30	177	Alpha Beta, 3-Layer(aba) Sandwich
189.	1UHN	0.55	3.28	189	Mainly Alpha, Orthogonal Bundle
190.	2EBN	0.67	3.28	285	Alpha Beta, Alpha-Beta Barrel
191.	1ATR	0.67	3.27	383	Alpha Beta, 2-Layer Sandwich
192.	1K0F	0.72	3.27	277	Alpha Beta, 3-Layer(aba) Sandwich
193.	1FF4	0.83	3.26	65	Mainly Beta, Ribbon
194.	1IO2	0.82	3.26	213	Alpha Beta, 2-Layer Sandwich
195.	1AIR	0.81	3.23	352	Mainly Beta, 3 Solenoid
196.	1NOF	0.71	3.22	383	Mainly Beta, Sandwich
197.	1H2E	0.79	3.22	207	Alpha Beta, 3-Layer(aba) Sandwich
198.	1PLR	0.69	3.21	258	Alpha Beta, Box
199.	1TZW	0.71	3.21	142	Mainly Alpha, Orthogonal Bundle
200.	1BRT	0.54	3.20	277	Alpha Beta, 3-Layer(aba) Sandwich
201.	1UCS	0.44	3.20	64	Alpha Beta, Alpha-Beta Complex
202.	1ENF	0.62	3.20	212	Alpha Beta, Roll
203.	1B4L	0.74	3.19	153	Mainly Beta, Sandwich
204.	1GUI	0.74	3.19	155	Mainly Beta, Sandwich
205.	1DFF	0.62	3.18	164	Alpha Beta, Alpha-Beta Complex
206.	1Q9B	0.83	3.16	43	Alpha Beta, 2-Layer Sandwich
207.	1OUR	0.74	3.16	114	Mainly Beta, Sandwich
208.	1H3Q	0.82	3.16	140	Alpha Beta, 2-Layer Sandwich
209.	1AKO	0.71	3.15	268	Alpha Beta, 4-Layer Sandwich
210.	1P6P	0.71	3.15	125	Mainly Beta, Beta Barrel
211.	1FRD	0.74	3.15	98	Alpha Beta, Roll
212.	1HQD	0.58	3.14	320	Alpha Beta, 3-Layer(aba) Sandwich
213.	1QHD	0.70	3.14	397	Mainly Alpha, Orthogonal Bundle
214.	1UMH	0.78	3.14	184	Mainly Beta, Sandwich
215.	1UTG	0.71	3.13	70	Mainly Alpha, Orthogonal Bundle
216.	1QTW	0.65	3.13	285	Alpha Beta, Alpha-Beta Barrel
217.	1MWP	0.65	3.12	96	Alpha Beta, Alpha-Beta Complex
218.	1CD5	0.74	3.10	266	Alpha Beta, 3-Layer(aba) Sandwich
219.	2SAS	0.79	3.09	185	Mainly Alpha, Orthogonal Bundle
220.	1SRA	0.82	3.08	151	Mainly Alpha, Orthogonal Bundle
221.	1BJ7	0.68	3.05	150	Mainly Beta, Beta Barrel
222.	1AUA	0.76	3.04	296	Mainly Alpha, Orthogonal Bundle
223.	1TUL	0.67	3.04	102	Mainly Beta, Distorted Sandwich
224.	1P36	0.59	3.03	164	Mainly Alpha, Orthogonal Bundle
225.	1MJC	0.90	3.03	69	Mainly Beta, Beta Barrel
226.	1CYO	0.79	3.02	88	Alpha Beta, Roll
227.	1MHN	0.89	3.02	59	Mainly Beta, Roll
228.	1DPO	0.74	3.01	223	Mainly Beta, Beta Barrel
229.	1NQ6	0.54	3.00	302	Alpha Beta, Alpha-Beta Barrel
230.	1FPS	0.71	2.99	348	Mainly Alpha, Orthogonal Bundle
231.	1MRJ	0.71	2.99	247	Alpha Beta, 3-Layer(aba) Sandwich
232.	1TIG	0.69	2.99	88	Alpha Beta, 2-Layer Sandwich
233.	1T00	0.49	2.98	112	Alpha Beta, 3-Layer(aba) Sandwich
234.	1ANU	0.82	2.97	138	Mainly Beta, Sandwich
235.	3TSS	0.69	2.96	190	Alpha Beta, Roll
236.	1FOB	0.70	2.95	334	Alpha Beta, Alpha-Beta Barrel
237.	1PLC	0.64	2.95	99	Mainly Beta, Sandwich
238.	1P1L	0.67	2.93	102	Alpha Beta, 2-Layer Sandwich
239.	1TJD	0.83	2.90	216	Alpha Beta, Roll
240.	1BUD	0.74	2.89	197	Alpha Beta, 3-Layer(aba) Sandwich
241.	1G8A	0.74	2.89	227	Alpha Beta, 2-Layer Sandwich
242.	1CZT	0.85	2.89	160	Mainly Beta, Sandwich
243.	1GNU	0.79	2.88	117	Alpha Beta, Roll
244.	1TJE	0.71	2.87	224	Alpha Beta, Roll
245.	1TQG	0.56	2.86	105	Mainly Alpha, Up-down Bundle
246.	1G66	0.63	2.85	207	Alpha Beta, 3-Layer(aba) Sandwich
247.	1S2O	0.65	2.85	244	Alpha Beta, 3-Layer(aba) Sandwich
248.	2RHE	0.82	2.84	114	Mainly Beta, Sandwich
249.	1EYH	0.76	2.83	144	Mainly Alpha, Alpha Horseshoe
250.	1MML	0.55	2.82	251	Alpha Beta, 2-Layer Sandwich
251.	1BWZ	0.80	2.82	274	Alpha Beta, Roll
252.	1NG6	0.42	2.81	148	Mainly Alpha, Orthogonal Bundle
253.	1S8I	0.80	2.81	121	Mainly Alpha, Up-down Bundle
254.	1GTG	0.71	2.79	357	Alpha Beta, 3-Layer(aba) Sandwich
255.	1K5P	0.52	2.79	295	Alpha Beta, 3-Layer(aba) Sandwich
256.	1MKP	0.82	2.79	144	Alpha Beta, Alpha-Beta Complex
257.	1AH7	0.67	2.79	245	Mainly Alpha, Orthogonal Bundle
258.	1PY9	0.83	2.78	116	Mainly Beta, Sandwich
259.	1T6K	0.81	2.78	278	Alpha Beta, Roll
260.	1BEA	0.81	2.77	116	Mainly Alpha, Orthogonal Bundle
261.	2PIA	0.66	2.77	321	Mainly Beta, Beta Barrel
262.	1I5G	0.67	2.77	144	Alpha Beta, 3-Layer(aba) Sandwich
263.	1BHE	0.71	2.76	376	Mainly Beta, 3 Solenoid
264.	4THI	0.69	2.75	362	Alpha Beta, 3-Layer(aba) Sandwich
265.	1CSP	0.86	2.75	67	Mainly Beta, Beta Barrel
266.	1O5T	0.64	2.74	378	Alpha Beta, 3-Layer(aba) Sandwich
267.	1FTS	0.63	2.74	295	Mainly Alpha, Up-down Bundle
268.	1AJ2	0.71	2.73	282	Alpha Beta, Alpha-Beta Barrel
269.	1SKF	0.75	2.71	262	Alpha Beta, 3-Layer(aba) Sandwich
270.	1JO8	0.74	2.71	58	Mainly Beta, Roll
271.	1HCV	0.80	2.70	116	Mainly Beta, Sandwich
272.	1BSQ	0.73	2.70	162	Mainly Beta, Beta Barrel
273.	1R6J	0.77	2.70	82	Mainly Beta, Roll
274.	1JE6	0.70	2.69	275	Alpha Beta, 2-Layer Sandwich
275.	1JFX	0.67	2.69	217	Alpha Beta, Alpha-Beta Barrel
276.	1LIS	0.73	2.69	131	Mainly Alpha, Up-down Bundle
277.	2LHB	0.63	2.68	149	Mainly Alpha, Orthogonal Bundle
278.	1KKH	0.83	2.68	317	Alpha Beta, 2-Layer Sandwich
279.	1B56	0.76	2.68	133	Mainly Beta, Beta Barrel
280.	1QCY	0.59	2.67	193	Alpha Beta, 3-Layer(aba) Sandwich
281.	1AKZ	0.52	2.66	223	Alpha Beta, 3-Layer(aba) Sandwich
282.	2GDM	0.79	2.65	153	Mainly Alpha, Orthogonal Bundle
283.	1BFG	0.68	2.65	126	Mainly Beta, Sandwich
284.	1GQN	0.68	2.65	252	Alpha Beta, Alpha-Beta Barrel
285.	1G43	0.53	2.65	160	Mainly Beta, Sandwich
286.	1G2B	0.66	2.64	62	Mainly Beta, Roll
287.	1KGE	0.73	2.64	257	Alpha Beta, 3-Layer(aba) Sandwich
288.	1ASH	0.70	2.63	147	Mainly Alpha, Orthogonal Bundle
289.	1I82	0.76	2.62	189	Mainly Beta, Sandwich
290.	1QWG	0.72	2.62	251	Alpha Beta, Alpha-Beta Barrel
291.	2LIV	0.60	2.61	344	Alpha Beta, 3-Layer(aba) Sandwich
292.	1LP8	0.74	2.61	254	Alpha Beta, 3-Layer(aba) Sandwich
293.	1OK0	0.66	2.60	74	Mainly Beta, Sandwich
294.	1F3G	0.78	2.59	150	Mainly Beta, Distorted Sandwich
295.	1PA7	0.86	2.59	130	Mainly Alpha, Orthogonal Bundle
296.	2PLC	0.45	2.58	274	Alpha Beta, Alpha-Beta Barrel
297.	1C3D	0.51	2.56	294	Mainly Alpha, Alpha/alpha barrel
298.	1YZF	0.66	2.56	195	Alpha Beta, 3-Layer(aba) Sandwich
299.	1AN8	0.76	2.56	206	Alpha Beta, Roll
300.	1COF	0.58	2.56	135	Alpha Beta, 3-Layer(aba) Sandwich
301.	2FCB	0.66	2.53	173	Mainly Beta, Sandwich
302.	1JUD	0.35	2.53	220	Alpha Beta, 3-Layer(aba) Sandwich
303.	1KR7	0.56	2.52	110	Mainly Alpha, Orthogonal Bundle
304.	1MAT	0.63	2.51	263	Alpha Beta, Alpha-Beta Complex
305.	1F94	0.71	2.51	63	Mainly Beta, Ribbon
306.	1L3P	0.74	2.51	102	Mainly Alpha, Up-down Bundle
307.	1CO6	0.40	2.50	107	Mainly Alpha, Orthogonal Bundle
308.	1CDY	0.73	2.49	178	Mainly Beta, Sandwich
309.	1JWQ	0.68	2.48	179	Alpha Beta, 3-Layer(aba) Sandwich
310.	1L8F	0.69	2.48	207	Mainly Beta, Beta Barrel
311.	3MBP	0.55	2.47	370	Alpha Beta, 3-Layer(aba) Sandwich
312.	1THF	0.71	2.47	253	Alpha Beta, Alpha-Beta Barrel
313.	1P3C	0.63	2.44	215	Mainly Beta, Beta Barrel
314.	1B1B	0.47	2.43	140	Mainly Alpha, Orthogonal Bundle
315.	1BSN	0.80	2.41	138	Mainly Beta, Sandwich
316.	1AL3	0.69	2.40	237	Alpha Beta, 3-Layer(aba) Sandwich
317.	1PTQ	0.76	2.40	50	Alpha Beta, 2-Layer Sandwich
318.	1A6F	0.61	2.40	113	Alpha Beta, 2-Layer Sandwich
319.	1TIB	0.67	2.39	269	Alpha Beta, 3-Layer(aba) Sandwich
320.	1D9V	0.58	2.39	309	Alpha Beta, 3-Layer(aba) Sandwich
321.	1OFV	0.60	2.38	169	Alpha Beta, 3-Layer(aba) Sandwich
322.	1PPO	0.85	2.37	216	Alpha Beta, Alpha-Beta Complex
323.	1IU9	0.58	2.36	111	Alpha Beta, 3-Layer(aba) Sandwich
324.	1BM8	0.74	2.36	99	Alpha Beta, Roll
325.	1PNE	0.67	2.36	139	Alpha Beta, 2-Layer Sandwich
326.	1TFE	0.68	2.36	142	Alpha Beta, 2-Layer Sandwich
327.	1RIS	0.72	2.35	97	Alpha Beta, 2-Layer Sandwich
328.	1TZQ	0.79	2.34	175	Mainly Beta, Sandwich
329.	1KQW	0.73	2.34	134	Mainly Beta, Beta Barrel
330.	1SBP	0.59	2.34	309	Alpha Beta, 3-Layer(aba) Sandwich
331.	1G62	0.65	2.34	224	Alpha Beta, 5-stranded Propeller
332.	1CQY	0.71	2.34	99	Mainly Beta, Sandwich
333.	1OA4	0.78	2.33	222	Mainly Beta, Sandwich
334.	1DT4	0.52	2.31	73	Alpha Beta, 2-Layer Sandwich
335.	1C7K	0.62	2.30	132	Alpha Beta, 3-Layer(aba) Sandwich
336.	1YER	0.72	2.30	207	Alpha Beta, 2-Layer Sandwich
337.	1JDW	0.62	2.28	360	Alpha Beta, 5-stranded Propeller
338.	1BLE	0.75	2.28	161	Alpha Beta, 3-Layer(aba) Sandwich
339.	1PKP	0.72	2.28	145	Alpha Beta, 2-Layer Sandwich
340.	1QZM	0.53	2.27	94	Mainly Alpha, Orthogonal Bundle
341.	1AQT	0.72	2.27	135	Mainly Beta, Sandwich
342.	1IXH	0.30	2.26	321	Alpha Beta, 3-Layer(aba) Sandwich
343.	1IC6	0.73	2.25	279	Alpha Beta, 3-Layer(aba) Sandwich
344.	1PBV	0.79	2.24	195	Mainly Alpha, Orthogonal Bundle
345.	1LMI	0.87	2.23	131	Mainly Beta, Sandwich
346.	1GYV	0.78	2.23	120	Mainly Beta, Sandwich
347.	2MCM	0.56	2.22	112	Mainly Beta, Sandwich
348.	2CHR	0.57	2.21	370	Alpha Beta, 2-Layer Sandwich
349.	1QLM	0.74	2.21	316	Alpha Beta, Roll
350.	1V7R	0.63	2.18	186	Alpha Beta, Alpha-Beta Complex
351.	1CID	0.81	2.18	177	Mainly Beta, Sandwich
352.	1WHP	0.68	2.16	94	Mainly Beta, Sandwich
353.	1KS9	0.62	2.16	291	Alpha Beta, 3-Layer(aba) Sandwich
354.	1MJN	0.69	2.16	179	Alpha Beta, 3-Layer(aba) Sandwich
355.	1ASS	0.72	2.15	152	Alpha Beta, 3-Layer(bba) Sandwich
356.	1OPC	0.57	2.15	99	Mainly Alpha, Orthogonal Bundle
357.	1SK3	0.72	2.14	165	Alpha Beta, 3-Layer(aba) Sandwich
358.	3EBX	0.81	2.12	62	Mainly Beta, Ribbon
359.	1G5Z	0.65	2.11	164	Mainly Alpha, Up-down Bundle
360.	1VIN	0.71	2.11	252	Mainly Alpha, Orthogonal Bundle
361.	1KOE	0.65	2.10	172	Alpha Beta, Roll
362.	2DRI	0.59	2.08	271	Alpha Beta, 3-Layer(aba) Sandwich
363.	1C52	0.68	2.07	131	Mainly Alpha, Orthogonal Bundle
364.	1KTE	0.74	2.05	105	Alpha Beta, 3-Layer(aba) Sandwich
365.	1O08	0.67	2.05	221	Alpha Beta, 3-Layer(aba) Sandwich
366.	1CTF	0.52	2.03	68	Alpha Beta, 2-Layer Sandwich
367.	1PUD	0.69	2.03	372	Alpha Beta, Alpha-Beta Barrel
368.	1ECA	0.64	2.01	136	Mainly Alpha, Orthogonal Bundle
369.	1BFS	0.53	1.99	106	Mainly Beta, Sandwich
370.	1G3Q	0.71	1.93	237	Alpha Beta, 3-Layer(aba) Sandwich
371.	1KNT	0.52	1.92	55	Few Secondary Structures, Irregular
372.	1UBI	0.81	1.91	76	Alpha Beta, Roll
373.	5NUL	0.75	1.86	138	Alpha Beta, 3-Layer(aba) Sandwich
374.	1E9M	0.64	1.82	106	Alpha Beta, Roll
375.	1EE6	0.62	1.81	197	Mainly Beta, 3 Solenoid
376.	1TMY	0.60	1.80	118	Alpha Beta, 3-Layer(aba) Sandwich
377.	1BZ4	0.68	1.79	144	Mainly Alpha, Up-down Bundle
378.	1Q2Y	0.81	1.79	140	Alpha Beta, 3-Layer(aba) Sandwich
379.	1T8K	0.72	1.78	77	Mainly Alpha, Orthogonal Bundle
380.	1KP6	0.76	1.77	79	Alpha Beta, 2-Layer Sandwich
381.	1HZI	0.59	1.72	129	Mainly Alpha, Up-down Bundle
382.	1FAS	0.87	1.69	61	Mainly Beta, Ribbon
383.	1DLW	0.69	1.57	116	Mainly Alpha, Orthogonal Bundle
384.	1OOI	0.40	1.54	124	Mainly Alpha, Orthogonal Bundle
385.	1OPD	0.61	1.53	85	Alpha Beta, 2-Layer Sandwich
386.	2HBG	0.60	1.53	147	Mainly Alpha, Orthogonal Bundle
387.	1R69	0.68	1.40	63	Mainly Alpha, Orthogonal Bundle
388.	1AEP	0.72	1.29	153	Mainly Alpha, Up-down Bundle
389.	1I2T	0.50	1.27	61	Mainly Alpha, Orthogonal Bundle
390.	1KFR	0.83	1.05	147	Mainly Alpha, Orthogonal Bundle
391.	1FVQ	0.68	1.04	72	Alpha Beta, 2-Layer Sandwich
392.	2YGS	0.50	1.00	92	Mainly Alpha, Orthogonal Bundle
393.	1K40	0.68	0.78	126	Mainly Alpha, Up-down Bundle
avg.		0.70	4.66

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© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013