Processed File: bmr10002.str

CSI and Sec Structure (bmr10002.str)

Seq C CA CB N H HA Beta sheet probability Coil probability Helix probability SecStr
G1 0.12 0.81 0.08 C

S2 174.246 58.833 64.269 4.490 0.13 0.86 0.01 C

I3 59.028 39.158 124.749 8.299 4.477 0.90 0.10 0.00 B

P4 176.587 63.378 32.546 4.403 0.13 0.86 0.00 C

C5 173.588 56.117 41.840 119.787 8.585 4.357 0.72 0.27 0.01 B

L6 175.516 54.966 42.843 124.931 8.188 4.377 0.28 0.72 0.00 C

L7 177.083 53.781 45.200 125.589 8.450 4.898 0.99 0.01 0.00 B

S8 57.620 63.155 119.232 8.756 4.477 0.30 0.70 0.00 C

P9 177.183 62.812 32.465 4.303 0.12 0.87 0.00 C

W10 178.092 58.268 31.410 121.957 8.147 4.300 0.34 0.26 0.41 H

S11 173.926 58.548 66.050 118.559 9.129 4.384 0.60 0.40 0.00 B

E12 178.094 56.758 30.160 118.462 8.572 4.127 0.01 0.91 0.08 C

W13 178.137 58.573 30.983 124.802 8.691 4.522 0.24 0.24 0.52 H

S14 173.882 58.745 66.388 119.691 9.762 4.457 0.69 0.31 0.00 B

D15 177.860 55.224 41.145 118.702 8.648 4.592 0.03 0.85 0.12 C

C16 175.353 56.691 40.797 123.553 9.118 4.439 0.67 0.31 0.02 B

S17 173.503 61.129 63.149 121.785 8.608 4.140 0.00 0.58 0.42 C

V18 175.082 59.028 35.954 113.390 6.847 4.786 0.74 0.26 0.00 B

T19 174.408 62.119 69.518 108.011 8.625 4.188 0.01 0.97 0.02 C

C20 172.029 54.315 44.478 116.924 7.529 4.553 0.69 0.31 0.00 B

G21 172.425 45.713 112.116 8.010 3.78 0.08 0.91 0.01 C

K22 176.434 56.520 34.312 121.562 8.173 4.796 0.58 0.42 0.00 B

G23 173.314 45.613 113.366 8.765 4.06 0.07 0.93 0.00 C

M24 175.714 54.402 36.713 122.188 8.969 5.464 1.00 0.00 0.00 B

R25 174.773 54.770 34.442 120.529 9.304 4.870 0.99 0.01 0.00 B

T26 174.042 60.660 73.924 110.359 8.955 5.994 1.00 0.00 0.00 B

R27 173.996 55.527 33.198 117.435 8.647 4.482 0.82 0.18 0.00 B

Q28 174.836 55.649 33.880 117.129 8.477 5.765 1.00 0.00 0.00 B

R29 173.077 55.100 32.544 120.612 8.865 4.375 0.89 0.11 0.00 B

M30 175.142 54.451 35.848 116.472 8.182 4.685 0.47 0.53 0.00 C

L31 177.466 55.619 42.940 123.512 8.544 4.400 0.13 0.84 0.03 C

K32 176.586 56.501 32.841 124.599 8.838 4.284 0.20 0.80 0.00 C

S33 173.733 57.482 64.707 114.414 7.832 4.511 0.20 0.80 0.00 C

L34 177.451 55.749 41.942 123.185 8.421 4.282 0.02 0.63 0.35 C

A35 177.904 53.182 20.020 125.264 8.136 4.222 0.01 0.97 0.02 C

E36 176.899 56.911 30.295 119.475 8.422 4.202 0.04 0.92 0.04 C

L37 178.165 56.720 42.317 122.356 8.135 4.154 0.00 0.08 0.92 H

G38 173.753 45.784 109.433 8.364 3.90 0.04 0.95 0.01 C

D39 176.295 54.657 41.830 120.193 8.114 4.655 0.13 0.87 0.00 C

C40 55.494 40.767 119.024 8.288 4.740 0.79 0.18 0.04 B

N41 174.768 53.487 38.930 122.540 8.884 4.739 0.23 0.77 0.00 C

E42 175.817 56.180 31.983 120.320 7.961 4.334 0.36 0.64 0.00 C

D43 176.449 55.306 41.428 120.765 8.888 4.548 0.07 0.87 0.06 C

L44 175.612 55.336 42.284 121.243 8.945 4.119 0.35 0.63 0.02 C

E45 174.851 55.433 34.176 117.992 7.719 5.494 1.00 0.00 0.00 B

Q46 173.477 55.058 33.574 122.839 8.549 4.622 0.99 0.01 0.00 B

A47 176.664 50.807 23.462 124.363 8.603 5.756 1.00 0.00 0.00 B

E48 174.182 54.422 34.030 120.674 9.112 4.638 1.00 0.00 0.00 B

K49 176.325 56.986 33.456 122.594 8.447 4.858 0.51 0.49 0.00 B

C50 171.999 53.890 46.985 119.714 8.402 4.649 0.89 0.11 0.00 B

M51 173.717 55.142 34.285 122.302 8.672 4.851 0.94 0.06 0.00 B

L52 52.750 42.547 131.098 8.708 4.691 0.88 0.12 0.00 B

P53 176.084 63.758 32.054 4.277 0.11 0.88 0.01 C

E54 176.810 57.510 30.316 121.469 8.504 3.928 0.02 0.85 0.13 C

C55 53.331 40.619 123.643 9.046 4.653 0.93 0.07 0.00 B

P56 65.076 32.337 4.225 0.02 0.68 0.30 C

CSI and Sec Structure (No_Deviant_Ref_Calibrated)

Seq C CA CB N H HA Beta sheet probability Coil probability Helix probability SecStr
G1 0.12 0.81 0.08 C

S2 174.38 58.76 63.58 4.490 0.09 0.89 0.01 C

I3 58.96 38.47 124.90 8.299 4.477 0.87 0.13 0.00 B

P4 176.72 63.31 31.86 4.403 0.12 0.88 0.01 C

C5 173.72 56.05 41.15 119.94 8.585 4.357 0.71 0.29 0.01 B

L6 175.65 54.90 42.15 125.08 8.188 4.377 0.21 0.79 0.00 C

L7 177.21 53.71 44.51 125.74 8.450 4.898 0.98 0.02 0.00 B

S8 57.55 62.46 119.38 8.756 4.477 0.24 0.76 0.00 C

P9 177.31 62.74 31.78 4.303 0.11 0.89 0.01 C

W10 178.22 58.20 30.72 122.11 8.147 4.300 0.20 0.23 0.57 H

S11 174.06 58.48 65.36 118.71 9.129 4.384 0.49 0.51 0.00 C

E12 178.22 56.69 29.47 118.61 8.572 4.127 0.00 0.87 0.13 C

W13 178.27 58.50 30.29 124.95 8.691 4.522 0.13 0.19 0.68 H

S14 174.01 58.68 65.70 119.84 9.762 4.457 0.58 0.42 0.00 B

D15 177.99 55.15 40.46 118.85 8.648 4.592 0.03 0.81 0.16 C

C16 175.48 56.62 40.11 123.70 9.118 4.439 0.65 0.33 0.02 B

S17 173.63 61.06 62.46 121.94 8.608 4.140 0.00 0.49 0.51 H

V18 175.21 58.96 35.26 113.54 6.847 4.786 0.61 0.39 0.00 B

T19 174.54 62.05 68.83 108.16 8.625 4.188 0.01 0.96 0.03 C

C20 172.16 54.24 43.79 117.07 7.529 4.553 0.68 0.32 0.00 B

G21 172.56 45.64 112.27 8.010 3.78 0.08 0.91 0.01 C

K22 176.56 56.45 33.62 121.71 8.173 4.796 0.46 0.54 0.00 C

G23 173.44 45.54 113.52 8.765 4.06 0.07 0.93 0.00 C

M24 175.84 54.33 36.02 122.34 8.969 5.464 0.99 0.01 0.00 B

R25 174.90 54.70 33.75 120.68 9.304 4.870 0.98 0.02 0.00 B

T26 174.17 60.59 73.23 110.51 8.955 5.994 1.00 0.00 0.00 B

R27 174.13 55.46 32.51 117.59 8.647 4.482 0.75 0.25 0.00 B

Q28 174.97 55.58 33.19 117.28 8.477 5.765 1.00 0.00 0.00 B

R29 173.21 55.03 31.85 120.76 8.865 4.375 0.84 0.16 0.00 B

M30 175.27 54.38 35.16 116.62 8.182 4.685 0.38 0.62 0.00 C

L31 177.60 55.55 42.25 123.66 8.544 4.400 0.09 0.86 0.05 C

K32 176.72 56.43 32.15 124.75 8.838 4.284 0.15 0.85 0.00 C

S33 173.86 57.41 64.02 114.56 7.832 4.511 0.14 0.85 0.00 C

L34 177.58 55.68 41.25 123.34 8.421 4.282 0.01 0.59 0.39 C

A35 178.03 53.11 19.33 125.41 8.136 4.222 0.01 0.96 0.03 C

E36 177.03 56.84 29.60 119.62 8.422 4.202 0.02 0.91 0.06 C

L37 178.30 56.65 41.63 122.51 8.135 4.154 0.00 0.06 0.94 H

G38 173.88 45.71 109.58 8.364 3.90 0.04 0.95 0.01 C

D39 176.42 54.59 41.14 120.34 8.114 4.655 0.09 0.90 0.01 C

C40 55.42 40.08 119.17 8.288 4.740 0.79 0.18 0.04 B

N41 174.90 53.42 38.24 122.69 8.884 4.739 0.18 0.82 0.00 C

E42 175.95 56.11 31.29 120.47 7.961 4.334 0.24 0.76 0.00 C

D43 176.58 55.24 40.74 120.92 8.888 4.548 0.05 0.87 0.08 C

L44 175.74 55.27 41.59 121.39 8.945 4.119 0.30 0.68 0.02 C

E45 174.98 55.36 33.49 118.14 7.719 5.494 1.00 0.00 0.00 B

Q46 173.61 54.99 32.88 122.99 8.549 4.622 0.98 0.02 0.00 B

A47 176.79 50.74 22.77 124.51 8.603 5.756 1.00 0.00 0.00 B

E48 174.31 54.35 33.34 120.82 9.112 4.638 0.99 0.01 0.00 B

K49 176.45 56.92 32.77 122.74 8.447 4.858 0.41 0.59 0.00 C

C50 172.13 53.82 46.30 119.86 8.402 4.649 0.88 0.12 0.00 B

M51 173.85 55.07 33.60 122.45 8.672 4.851 0.93 0.07 0.00 B

L52 52.68 41.86 131.25 8.708 4.691 0.84 0.16 0.00 B

P53 176.21 63.69 31.36 4.277 0.10 0.89 0.01 C

E54 176.94 57.44 29.63 121.62 8.504 3.928 0.01 0.80 0.19 C

C55 53.26 39.93 123.79 9.046 4.653 0.93 0.07 0.00 B

P56 65.01 31.65 4.225 0.02 0.61 0.38 C

Validation

3-Resdue Scan:

GSIPCLLSPW SEWSDCSVTC GKGMRTRQRM LKSLAELGDC NEDLEQAEKC MLPECP

Original Assigment and Probability vs Suggested Assignment and Probability

IPC(3-5) 0.00% DCN(39-41) 100%
PCL(4-6) 0.00% CLL(5-7) 100%
RQR(27-29) 44.30% QRM(28-30) 100%
CNE(40-42) 0.00% DLE(43-45) 100%
PEC(53-55) 0.00% PCL(4-6) 100%
ECP(54-56) 0.00% MLP(51-53) 100%

# of selected frags: 54; # of confirmed frags: 48; CONA Score: 88.89%

4-Resdue Scan:

GSIPCLLSPW SEWSDCSVTC GKGMRTRQRM LKSLAELGDC NEDLEQAEKC MLPECP

Original Assigment and Probability vs Suggested Assignment and Probability

IPCL(3-6) 0.01% KCML(49-52) 100%
PCLL(4-7) 3.10% CNED(40-43) 100%
KCML(49-52) 0.00% CNED(40-43) 100%
LPEC(52-55) 0.03% IPCL(3-6) 100%
PECP(53-56) 0.00% CMLP(50-53) 100%

# of selected frags: 53; # of confirmed frags: 48; CONA Score: 90.57%

5-Resdue Scan:

GSIPCLLSPW SEWSDCSVTC GKGMRTRQRM LKSLAELGDC NEDLEQAEKC MLPECP

Original Assigment and Probability vs Suggested Assignment and Probability

MLPEC(51-55) 9.57% EKCML(48-52) 100%
LPECP(52-56) 10.49% KCMLP(49-53) 100%

# of selected frags: 52; # of confirmed frags: 50; CONA Score: 96.15%

6-Resdue Scan:

GSIPCLLSPW SEWSDCSVTC GKGMRTRQRM LKSLAELGDC NEDLEQAEKC MLPECP

Original Assigment and Probability vs Suggested Assignment and Probability

MLPECP(51-56) 9.57% EKCMLP(48-53) 100%

# of selected frags: 51; # of confirmed frags: 50; CONA Score: 98.04%

Reference Offsets and Deviant Shifts

Detected reference offsets
CO: 0.13ppm CA: -0.07ppm CB: -0.69ppm N: 0.15ppm

Num of Assignments: 311
Number of of Deviant Assignments: 0

Num of Suspicous Assignments after ref-calibration when necessary: 0

Seq	C	CA	CB	N	H	HA	Beta sheet probability	Coil probability	Helix probability	SecStr
G1							0.12	0.81	0.08	C
S2	174.246	58.833	64.269			4.490	0.13	0.86	0.01	C
I3		59.028	39.158	124.749	8.299	4.477	0.90	0.10	0.00	B
P4	176.587	63.378	32.546			4.403	0.13	0.86	0.00	C
C5	173.588	56.117	41.840	119.787	8.585	4.357	0.72	0.27	0.01	B
L6	175.516	54.966	42.843	124.931	8.188	4.377	0.28	0.72	0.00	C
L7	177.083	53.781	45.200	125.589	8.450	4.898	0.99	0.01	0.00	B
S8		57.620	63.155	119.232	8.756	4.477	0.30	0.70	0.00	C
P9	177.183	62.812	32.465			4.303	0.12	0.87	0.00	C
W10	178.092	58.268	31.410	121.957	8.147	4.300	0.34	0.26	0.41	H
S11	173.926	58.548	66.050	118.559	9.129	4.384	0.60	0.40	0.00	B
E12	178.094	56.758	30.160	118.462	8.572	4.127	0.01	0.91	0.08	C
W13	178.137	58.573	30.983	124.802	8.691	4.522	0.24	0.24	0.52	H
S14	173.882	58.745	66.388	119.691	9.762	4.457	0.69	0.31	0.00	B
D15	177.860	55.224	41.145	118.702	8.648	4.592	0.03	0.85	0.12	C
C16	175.353	56.691	40.797	123.553	9.118	4.439	0.67	0.31	0.02	B
S17	173.503	61.129	63.149	121.785	8.608	4.140	0.00	0.58	0.42	C
V18	175.082	59.028	35.954	113.390	6.847	4.786	0.74	0.26	0.00	B
T19	174.408	62.119	69.518	108.011	8.625	4.188	0.01	0.97	0.02	C
C20	172.029	54.315	44.478	116.924	7.529	4.553	0.69	0.31	0.00	B
G21	172.425	45.713		112.116	8.010	3.78	0.08	0.91	0.01	C
K22	176.434	56.520	34.312	121.562	8.173	4.796	0.58	0.42	0.00	B
G23	173.314	45.613		113.366	8.765	4.06	0.07	0.93	0.00	C
M24	175.714	54.402	36.713	122.188	8.969	5.464	1.00	0.00	0.00	B
R25	174.773	54.770	34.442	120.529	9.304	4.870	0.99	0.01	0.00	B
T26	174.042	60.660	73.924	110.359	8.955	5.994	1.00	0.00	0.00	B
R27	173.996	55.527	33.198	117.435	8.647	4.482	0.82	0.18	0.00	B
Q28	174.836	55.649	33.880	117.129	8.477	5.765	1.00	0.00	0.00	B
R29	173.077	55.100	32.544	120.612	8.865	4.375	0.89	0.11	0.00	B
M30	175.142	54.451	35.848	116.472	8.182	4.685	0.47	0.53	0.00	C
L31	177.466	55.619	42.940	123.512	8.544	4.400	0.13	0.84	0.03	C
K32	176.586	56.501	32.841	124.599	8.838	4.284	0.20	0.80	0.00	C
S33	173.733	57.482	64.707	114.414	7.832	4.511	0.20	0.80	0.00	C
L34	177.451	55.749	41.942	123.185	8.421	4.282	0.02	0.63	0.35	C
A35	177.904	53.182	20.020	125.264	8.136	4.222	0.01	0.97	0.02	C
E36	176.899	56.911	30.295	119.475	8.422	4.202	0.04	0.92	0.04	C
L37	178.165	56.720	42.317	122.356	8.135	4.154	0.00	0.08	0.92	H
G38	173.753	45.784		109.433	8.364	3.90	0.04	0.95	0.01	C
D39	176.295	54.657	41.830	120.193	8.114	4.655	0.13	0.87	0.00	C
C40		55.494	40.767	119.024	8.288	4.740	0.79	0.18	0.04	B
N41	174.768	53.487	38.930	122.540	8.884	4.739	0.23	0.77	0.00	C
E42	175.817	56.180	31.983	120.320	7.961	4.334	0.36	0.64	0.00	C
D43	176.449	55.306	41.428	120.765	8.888	4.548	0.07	0.87	0.06	C
L44	175.612	55.336	42.284	121.243	8.945	4.119	0.35	0.63	0.02	C
E45	174.851	55.433	34.176	117.992	7.719	5.494	1.00	0.00	0.00	B
Q46	173.477	55.058	33.574	122.839	8.549	4.622	0.99	0.01	0.00	B
A47	176.664	50.807	23.462	124.363	8.603	5.756	1.00	0.00	0.00	B
E48	174.182	54.422	34.030	120.674	9.112	4.638	1.00	0.00	0.00	B
K49	176.325	56.986	33.456	122.594	8.447	4.858	0.51	0.49	0.00	B
C50	171.999	53.890	46.985	119.714	8.402	4.649	0.89	0.11	0.00	B
M51	173.717	55.142	34.285	122.302	8.672	4.851	0.94	0.06	0.00	B
L52		52.750	42.547	131.098	8.708	4.691	0.88	0.12	0.00	B
P53	176.084	63.758	32.054			4.277	0.11	0.88	0.01	C
E54	176.810	57.510	30.316	121.469	8.504	3.928	0.02	0.85	0.13	C
C55		53.331	40.619	123.643	9.046	4.653	0.93	0.07	0.00	B
P56		65.076	32.337			4.225	0.02	0.68	0.30	C