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

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