Secondary structure calculation program - copyright by David Keith Smith, 1989
1pex-.pdb
1PEX METALLOPROTEASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 192
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 274 THR T 0 0 999.9 123.0 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 25
2 275 PRO P - 0 0 -77.7 139.4 179.7 -125.4 999.9 120.6 0 0.0 4 -0.7 0 0.0 0 0.0 6 34
3 276 ASP D t > T - 0 0 -90.3 115.7 -179.8 -146.0 9.5 138.2 0 0.0 6 -1.8 0 0.0 0 0.0 6 32
4 277 LYS K T T 3 TS+ 0 0 -46.5 -36.2 -177.8 24.9 98.0 37.2 2 -0.7 0 0.0 0 0.0 0 0.0 8 36
5 278 CYS C T T 3 TS+ 0 0 -120.9 16.7 177.7 138.9 74.2 77.3 0 0.0 0 0.0 0 0.0 0 0.0 9 29
6 279 ASP D t X T - 0 0 -60.0 113.1 -179.3 -142.4 52.4 123.3 3 -1.8 9 -3.0 0 0.0 0 0.0 7 23
7 280 PRO P T T 3 TS+ 0 0 -67.0 17.7 179.4 61.5 99.4 76.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
8 281 SER S T T 3 TS+ 0 0 -123.6 5.1 179.3 136.2 78.0 78.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
9 282 LEU L t < T - 0 0 -63.2 133.4 177.1 -176.9 29.8 111.0 6 -3.0 0 0.0 0 0.0 0 0.0 12 37
10 283 SER S - 0 0 -122.2 152.8 -179.2 -130.6 20.8 151.4 0 0.0 0 0.0 0 0.0 0 0.0 12 49
11 284 LEU L - 0 0 -114.5 151.2 -177.7 -153.1 7.8 146.5 0 0.0 0 0.0 0 0.0 0 0.0 14 57
12 285 ASP D S S S- 0 0 -86.9 -33.6 -178.5 -26.3 73.5 32.2 24 -2.5 0 0.0 0 0.0 0 0.0 13 62
13 286 ALA A E E AA - 24 0 -171.5 170.0 -178.1 -152.0 51.1 162.3 24 -1.1 24 -1.8 0 0.0 0 0.0 15 69
14 287 ILE I E E AA + 23 0 -159.5 129.6 175.0 159.4 18.0 159.5 0 0.0 0 0.0 0 0.0 0 0.0 15 70
15 288 THR T E E AA - 22 0 -129.1 -163.8 177.4 -123.3 34.0 125.5 22 -1.9 22 -0.9 0 0.0 0 0.0 12 63
16 289 SER S E E AA - 21 0 -144.9 140.6 -178.3 -158.5 18.9 158.6 0 0.0 0 0.0 0 0.0 0 0.0 11 52
17 290 LEU L E E AA > TS- 20 0 -134.0 108.7 -177.3 -32.0 73.7 162.6 20 -3.3 20 -1.3 0 0.0 0 0.0 10 42
18 291 ARG R T T 3 TS- 0 0 40.7 61.6 178.7 -44.1 126.8 22.9 0 0.0 0 0.0 0 0.0 0 0.0 5 32
19 292 GLY G T T 3 TS+ 0 0 60.7 22.0 176.8 111.7 120.6 44.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
20 293 GLU E E E AA < T - 17 0 -124.7 122.3 -177.8 -131.8 66.0 177.0 17 -1.3 17 -3.3 0 0.0 0 0.0 10 40
21 294 THR T E E AAB - 16 32 -83.2 132.2 -179.6 -163.1 17.5 128.2 32 -1.0 32 -2.8 0 0.0 23 -0.5 11 51
22 295 MET M E E AAB - 15 31 -117.7 120.2 179.6 -168.1 2.4 159.0 15 -0.9 15 -1.9 0 0.0 24 -0.5 12 61
23 296 ILE I E E AAB - 14 30 -110.7 120.6 -177.9 -149.9 11.1 152.5 30 -2.2 30 -2.3 21 -0.5 0 0.0 12 67
24 297 PHE F E E AAB + 13 29 -96.7 131.8 175.8 165.7 22.1 137.7 13 -1.8 12 -2.5 22 -0.5 13 -1.1 13 63
25 298 LYS K E E A B> T - 0 28 -143.9 110.4 178.8 -51.1 65.2 160.7 28 -1.5 28 -1.9 0 0.0 0 0.0 12 55
26 299 ASP D T T 3 TS- 0 0 65.6 -124.3 -178.8 -18.0 122.1 113.6 0 0.0 0 0.0 0 0.0 0 0.0 10 39
27 300 ARG R T e 3 TS+ 0 0 -99.1 16.1 178.7 79.5 129.0 78.7 0 0.0 44 -2.7 0 0.0 0 0.0 10 38
28 301 PHE F E E ABC< T - 25 43 -115.3 168.2 171.8 -167.7 55.5 129.5 25 -1.9 25 -1.5 0 0.0 0 0.0 12 42
29 302 PHE F E E ABC - 24 42 -155.5 140.7 177.2 -140.1 15.3 163.9 42 -1.5 42 -2.1 0 0.0 0 0.0 13 51
30 303 TRP W E E ABC - 23 41 -99.4 142.3 -179.5 -147.9 16.8 154.7 23 -2.3 23 -2.2 0 0.0 0 0.0 11 50
31 304 ARG R E E ABC - 22 40 -113.6 132.6 -179.2 -162.9 14.0 162.7 40 -2.7 40 -0.8 0 0.0 0 0.0 12 41
32 305 LEU L E E AB - 21 0 -120.9 149.0 -177.7 -152.0 3.6 152.0 21 -2.8 21 -1.0 0 0.0 0 0.0 10 36
33 306 HIS H - 0 0 -112.0 162.1 178.8 -100.7 32.7 129.2 0 0.0 35 -1.2 0 0.0 0 0.0 10 26
34 307 PRO P S S S+ 0 0 -86.0 92.1 -179.5 67.7 98.1 142.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
35 308 GLN Q S S S- 0 0 -165.1 -107.8 180.0 -96.4 95.6 118.3 33 -1.2 0 0.0 0 0.0 0 0.0 4 15
36 309 GLN Q S S S+ 0 0 -163.3 -45.0 -179.5 51.2 89.8 74.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
37 310 VAL V S S S+ 0 0 -105.7 172.7 180.0 53.8 75.7 124.3 0 0.0 0 0.0 0 0.0 0 0.0 4 19
38 311 ASP D - 0 0 78.4 144.6 -178.4 -172.3 39.9 65.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
39 312 ALA A - 0 0 -169.4 81.4 -178.8 -156.1 12.7 116.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
40 313 GLU E E E AC - 31 0 -65.5 152.8 177.1 -151.6 1.9 106.5 31 -0.8 31 -2.7 0 0.0 0 0.0 7 33
41 314 LEU L E E AC + 30 0 -127.8 114.8 179.7 173.0 19.8 165.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
42 315 PHE F E E AC - 29 0 -114.7 169.7 175.3 -103.5 39.0 130.5 29 -2.1 29 -1.5 0 0.0 0 0.0 9 31
43 316 LEU L E E >AC T - 28 0 -85.0 150.5 178.4 -134.0 28.2 137.6 0 0.0 47 -0.6 0 0.0 0 0.0 9 29
44 317 THR T H H > > TS+ 0 0 -70.3 -41.2 -179.2 54.0 106.7 23.1 27 -2.7 48 -2.4 0 0.0 47 -1.1 12 45
45 318 LYS K H H 4 3 TS+ 0 0 -70.9 -8.4 174.5 72.3 91.5 55.9 0 0.0 0 0.0 0 0.0 0 0.0 10 28
46 319 SER S H H 4 3 TS+ 0 0 -67.0 -43.4 -179.5 25.5 115.2 23.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
47 320 PHE F H H < < TS+ 0 0 -89.1 -43.8 -178.2 13.8 141.2 33.6 44 -1.1 0 0.0 43 -0.6 0 0.0 7 34
48 321 TRP W h < > T + 0 0 -140.7 83.9 -179.5 173.8 58.1 130.1 44 -2.4 51 -1.7 0 0.0 0 0.0 10 37
49 322 PRO P T T 3 TS+ 0 0 -63.9 -26.3 -179.9 70.9 75.5 39.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
50 323 GLU E T T 3 TS+ 0 0 -62.5 -17.5 -177.3 92.9 84.9 41.1 0 0.0 0 0.0 0 0.0 0 0.0 5 33
51 324 LEU L S t < TS- 0 0 -66.5 177.7 179.1 -96.7 86.4 78.3 48 -1.7 0 0.0 0 0.0 0 0.0 8 44
52 325 PRO P - 0 0 -87.2 177.7 -178.2 -115.2 31.7 118.6 0 0.0 0 0.0 0 0.0 0 0.0 7 40
53 326 ASN N S S S+ 0 0 -89.4 -20.6 174.7 49.4 100.3 45.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
54 327 ARG R S S S- 0 0 -118.9 140.0 178.0 -149.0 72.6 163.8 0 0.0 0 0.0 0 0.0 0 0.0 8 45
55 328 ILE I - 0 0 -106.1 127.5 178.8 -172.7 8.6 157.6 0 0.0 0 0.0 0 0.0 0 0.0 14 53
56 329 ASP D - 0 0 -83.8 -44.4 -179.4 -22.2 67.8 25.8 70 -2.7 0 0.0 0 0.0 0 0.0 14 57
57 330 ALA A E E BD - 70 0 -160.0 165.9 178.7 -161.2 58.2 161.9 70 -1.1 70 -2.1 0 0.0 0 0.0 16 67
58 331 ALA A E E BD + 69 0 -159.5 141.9 176.3 177.4 7.6 167.4 0 0.0 0 0.0 0 0.0 0 0.0 15 69
59 332 TYR Y E E BD - 68 0 -145.2 150.3 179.7 -130.7 22.7 166.4 68 -1.6 68 -2.4 0 0.0 0 0.0 14 63
60 333 GLU E E E BD - 67 0 -100.9 137.9 179.8 -143.3 12.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 13 52
61 334 HIS H E E >BD >T - 66 0 -105.4 107.2 -178.5 -162.2 11.7 149.1 66 -3.6 65 -2.0 0 0.0 66 -1.4 10 50
62 335 PRO P T T 4 5TS+ 0 0 -58.9 -36.1 179.9 51.0 82.9 49.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
63 336 SER S T T 4 5TS+ 0 0 -79.9 -22.9 179.6 28.8 124.3 48.0 0 0.0 0 0.0 0 0.0 0 0.0 4 28
64 337 HIS H T T 4 5TS- 0 0 -109.6 -15.0 -173.9 -129.0 101.1 53.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
65 338 ASP D T T < 5T + 0 0 56.7 64.2 -178.9 141.1 60.4 6.3 61 -2.0 0 0.0 0 0.0 0 0.0 10 32
66 339 LEU L E E BD T - 0 74 -142.3 100.7 -179.0 -50.1 67.6 144.4 74 -2.8 74 -1.4 0 0.0 0 0.0 13 51
72 345 GLY G T T 3 TS- 0 0 75.9 -121.5 177.8 -22.7 122.0 129.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
73 346 ARG R T e 3 TS+ 0 0 -93.6 -19.4 -178.3 84.1 123.3 46.4 0 0.0 91 -1.3 0 0.0 0 0.0 9 39
74 347 LYS K E E BEF< T - 71 90 -91.1 142.9 177.9 -167.5 54.5 130.9 71 -1.4 71 -2.8 0 0.0 0 0.0 10 43
75 348 PHE F E E BEF - 70 89 -127.8 144.4 -178.4 -152.3 6.0 157.9 89 -2.4 89 -2.5 0 0.0 0 0.0 13 49
76 349 TRP W E E BE - 69 0 -118.0 139.6 177.1 -146.8 6.4 161.3 69 -2.0 69 -2.5 0 0.0 0 0.0 14 49
77 350 ALA A E E BE - 68 0 -101.3 137.9 -179.8 -171.1 25.1 151.5 0 0.0 84 -1.3 0 0.0 0 0.0 12 48
78 351 LEU L E E BE + 67 0 -135.1 140.3 177.2 178.8 20.6 173.2 67 -1.5 67 -1.6 0 0.0 0 0.0 12 44
79 352 ASN N S t > TS- 0 0 -139.4 114.8 -178.0 -36.1 71.6 165.1 0 0.0 82 -1.8 0 0.0 0 0.0 10 37
80 353 GLY G T T 3 TS- 0 0 69.5 -135.1 178.3 -31.1 122.5 115.3 0 0.0 0 0.0 0 0.0 0 0.0 5 33
81 354 TYR Y T T 3 TS+ 0 0 -93.4 4.4 -176.7 99.1 122.8 68.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
82 355 ASP D t < T - 0 0 -86.3 178.4 176.5 -142.7 65.2 101.5 79 -1.8 0 0.0 0 0.0 0 0.0 7 27
83 356 ILE I - 0 0 -140.0 115.3 -179.1 -114.9 32.4 164.5 0 0.0 0 0.0 0 0.0 0 0.0 11 32
84 357 LEU L t > T - 0 0 -51.9 145.3 178.8 -100.3 36.6 102.1 77 -1.3 87 -1.3 0 0.0 0 0.0 9 27
85 358 GLU E T T 3 TS+ 0 0 -65.1 152.6 179.4 40.9 107.2 106.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
86 359 GLY G T T 3 TS+ 0 0 90.5 -9.8 179.7 153.0 97.8 73.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
87 360 TYR Y t < T + 0 0 -103.9 150.7 14.6 59.3 34.2 140.6 84 -1.3 0 0.0 0 0.0 0 0.0 9 31
88 361 PRO P S S S- 0 0 -81.4 137.2 179.4 -178.0 76.1 72.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
89 362 LYS K E E BF - 75 0 -98.2 168.3 177.9 -107.4 26.0 118.9 75 -2.5 75 -2.4 0 0.0 0 0.0 9 29
90 363 LYS K E E BF - 74 0 -92.1 168.2 179.9 -117.5 21.8 122.7 0 0.0 0 0.0 0 0.0 0 0.0 9 31
91 364 ILE I S e >TS+ 0 0 -85.9 8.0 179.2 80.5 105.3 67.8 73 -1.3 96 -1.2 0 0.0 0 0.0 10 44
92 365 SER S T T >5TS+ 0 0 -79.4 -44.0 176.4 58.4 81.2 28.4 0 0.0 95 -3.0 0 0.0 0 0.0 8 29
93 366 GLU E T T 35TS+ 0 0 -58.6 -8.3 -178.9 66.1 101.0 59.2 0 0.0 0 0.0 0 0.0 0 0.0 7 29
94 368 LEU L T T 35TS- 0 0 -92.0 -7.3 178.5 -122.2 112.0 66.3 0 0.0 0 0.0 0 0.0 0 0.0 8 50
95 369 GLY G T T <5T + 0 0 78.8 3.7 179.8 147.0 59.8 59.4 92 -3.0 0 0.0 0 0.0 0 0.0 8 38
96 370 LEU L t T - 0 0 -64.5 167.4 -177.5 -118.3 23.5 99.5 0 0.0 100 -0.6 0 0.0 0 0.0 6 33
98 372 LYS K T T 3 TS+ 0 0 -96.6 8.4 175.3 71.6 105.8 73.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
99 373 GLU E T T 3 TS+ 0 0 -98.7 13.6 180.0 85.7 91.1 79.1 0 0.0 101 -0.5 0 0.0 0 0.0 4 21
100 374 VAL V t < T + 0 0 -116.7 112.3 -179.1 153.0 43.3 161.3 97 -0.6 0 0.0 0 0.0 0 0.0 8 32
101 375 LYS K + 0 0 -108.0 -42.5 178.3 48.5 58.7 31.8 99 -0.5 0 0.0 0 0.0 0 0.0 7 33
102 376 LYS K - 0 0 -99.9 156.6 177.1 -155.4 58.2 128.5 0 0.0 0 0.0 0 0.0 0 0.0 10 42
103 377 ILE I - 0 0 -126.9 122.8 -176.7 -169.8 6.9 178.7 0 0.0 0 0.0 0 0.0 0 0.0 15 55
104 378 SER S - 0 0 -90.3 -22.3 -179.2 -7.1 62.3 39.3 118 -2.3 0 0.0 0 0.0 0 0.0 13 58
105 379 ALA A E E CG - 118 0 -163.7 168.4 -179.5 -160.9 55.4 168.4 118 -1.1 118 -2.2 0 0.0 0 0.0 15 68
106 380 ALA A E E CG + 117 0 -163.9 140.2 178.3 176.1 7.6 168.3 0 0.0 0 0.0 0 0.0 0 0.0 15 68
107 381 VAL V E E CG - 116 0 -143.2 146.2 -178.7 -154.7 13.7 166.1 116 -1.2 116 -3.0 0 0.0 0 0.0 13 64
108 382 HIS H E E CG - 115 0 -125.7 126.6 -178.8 -148.0 11.3 173.8 0 0.0 110 -0.6 0 0.0 0 0.0 13 57
109 383 PHE F e > > T - 0 0 -101.5 124.4 -177.9 -159.8 5.9 148.1 114 -3.4 113 -1.5 0 0.0 112 -0.8 10 46
110 384 GLU E T T 4 3 TS+ 0 0 -72.7 -16.1 179.6 71.1 87.9 49.7 108 -0.6 0 0.0 0 0.0 0 0.0 7 37
111 385 ASP D T T 4 3 TS+ 0 0 -65.4 -36.0 -173.5 12.7 117.5 31.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
112 386 THR T T T 4 < TS- 0 0 -127.1 -8.9 -177.5 -112.8 91.6 59.2 109 -0.8 0 0.0 0 0.0 0 0.0 5 28
113 387 GLY G S e < TS+ 0 0 84.0 -4.6 177.7 140.0 74.2 64.2 109 -1.5 128 -3.5 0 0.0 0 0.0 10 30
114 388 LYS K E E C H - 0 127 -82.0 127.0 178.2 -162.8 40.3 128.3 0 0.0 109 -3.4 0 0.0 116 -0.6 13 39
115 389 THR T E E CGH - 108 126 -108.8 114.1 -179.4 -151.7 10.1 161.5 126 -1.2 126 -2.2 0 0.0 117 -0.9 12 56
116 390 LEU L E E CGH - 107 125 -96.3 95.9 179.2 -179.7 16.8 139.7 107 -3.0 107 -1.2 114 -0.6 0 0.0 12 66
117 391 LEU L E E CGH - 106 124 -93.5 131.9 -177.7 -154.8 11.6 142.7 124 -1.4 124 -0.8 115 -0.9 0 0.0 13 74
118 392 PHE F E E CGH - 105 123 -112.8 138.4 177.6 -173.1 10.0 150.2 105 -2.2 104 -2.3 0 0.0 105 -1.1 13 65
119 393 SER S E E C H> T - 0 122 -135.4 114.0 -179.8 -56.7 57.7 153.6 122 -1.9 122 -2.2 0 0.0 121 -1.7 13 53
120 394 GLY G T T 3 TS- 0 0 63.5 -88.6 -177.7 -13.8 125.8 116.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
121 395 ASN N T T 3 TS+ 0 0 -124.5 -9.3 179.6 65.6 124.9 61.7 119 -1.7 141 -3.0 0 0.0 0 0.0 9 40
122 396 GLN Q E E CHA< T - 119 140 -109.6 -179.8 176.2 -140.3 62.1 120.8 119 -2.2 119 -1.9 0 0.0 0 0.0 10 47
123 397 VAL V E E CH - 118 0 -124.7 177.5 178.6 -158.9 8.7 136.4 139 -1.9 0 0.0 0 0.0 0 0.0 13 51
124 398 TRP W E E CH - 117 0 -157.5 134.0 178.7 -145.6 10.1 159.1 117 -0.8 117 -1.4 0 0.0 126 -0.6 14 52
125 399 ARG R E E CH - 116 0 -118.3 102.0 -179.1 -168.8 15.6 146.0 0 0.0 134 -2.6 0 0.0 0 0.0 12 47
126 400 TYR Y E E CHB - 115 133 -75.3 162.2 175.9 -130.2 21.2 101.3 115 -2.2 115 -1.2 124 -0.6 128 -0.5 13 43
127 401 ASP D E E >CH T - 114 0 -119.2 96.8 -179.3 -172.3 18.4 154.3 132 -1.0 131 -1.8 0 0.0 129 -1.1 12 35
128 402 ASP D T e 4 TS+ 0 0 -85.5 49.4 -179.7 60.6 83.0 104.6 113 -3.5 0 0.0 126 -0.5 0 0.0 9 38
129 403 THR T T T 4 TS+ 0 0 -137.1 -39.1 -179.4 13.2 124.7 65.7 127 -1.1 0 0.0 0 0.0 0 0.0 6 23
130 404 ASN N T T 4 TS- 0 0 -125.9 1.4 -179.4 -115.0 100.6 79.5 0 0.0 0 0.0 0 0.0 0 0.0 5 21
131 405 HIS H S t < TS+ 0 0 57.7 53.7 179.9 130.6 71.1 18.8 127 -1.8 0 0.0 0 0.0 0 0.0 8 25
132 406 ILE I - 0 0 -139.5 147.4 175.8 -120.4 61.2 172.7 0 0.0 127 -1.0 0 0.0 134 -0.7 8 28
133 407 MET M B B B - 126 0 -87.1 110.6 178.0 -117.7 36.3 141.4 0 0.0 135 -0.8 0 0.0 0 0.0 10 32
134 408 ASP D - 0 0 -52.0 97.3 -176.0 -140.7 29.0 107.1 125 -2.6 0 0.0 132 -0.7 0 0.0 9 31
135 409 LYS K S S S+ 0 0 -41.4 -17.9 178.3 78.0 91.3 64.0 133 -0.8 0 0.0 0 0.0 0 0.0 4 25
136 410 ASP D S S S+ 0 0 -84.6 25.3 -178.9 123.4 90.8 87.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
137 411 TYR Y + 0 0 -143.2 142.7 39.6 66.8 17.3 176.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
138 412 PRO P + 0 0 -93.3 96.2 176.9 170.5 68.3 113.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
139 413 ARG R - 0 0 -74.3 166.7 179.2 -96.5 37.6 103.0 0 0.0 123 -1.9 0 0.0 0 0.0 10 30
140 414 LEU L B h > A T - 122 0 -87.8 140.6 -178.6 -129.0 18.8 132.4 0 0.0 144 -2.2 0 0.0 0 0.0 10 28
141 415 ILE I H H > TS+ 0 0 -49.5 -44.4 -179.2 50.6 114.4 23.6 121 -3.0 145 -2.2 0 0.0 0 0.0 13 45
142 416 GLU E H H 4 TS+ 0 0 -62.1 -41.1 178.0 48.5 110.8 32.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
143 417 GLU E H H 4 TS+ 0 0 -66.5 -61.5 -179.7 33.6 119.3 11.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
144 418 ASP D H H < TS+ 0 0 -64.6 -52.3 -179.4 24.6 131.9 23.2 140 -2.2 0 0.0 0 0.0 0 0.0 7 36
145 419 PHE F S h < > TS- 0 0 -114.6 78.9 -179.8 -165.5 82.5 138.1 141 -2.2 148 -0.7 0 0.0 0 0.0 8 44
146 420 PRO P T T 3 T + 0 0 -68.9 142.1 178.3 33.6 65.9 117.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
147 421 GLY G T T 3 TS+ 0 0 116.6 -42.7 -178.0 85.7 90.6 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
148 422 ILE I S t < TS- 0 0 -74.0 -1.5 -178.5 -111.2 95.4 65.9 145 -0.7 0 0.0 0 0.0 0 0.0 11 45
149 423 GLY G - 0 0 109.1 -148.7 -176.7 -67.4 40.0 139.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
150 424 ASP D S S S+ 0 0 -137.7 24.3 179.7 52.7 107.3 92.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
151 425 LYS K - 0 0 -161.5 144.5 177.9 -152.3 59.3 160.3 0 0.0 0 0.0 0 0.0 0 0.0 10 46
152 426 VAL V + 0 0 -126.2 121.2 -177.7 177.6 11.2 171.2 0 0.0 0 0.0 0 0.0 0 0.0 14 56
153 427 ASP D S S S- 0 0 -93.0 -24.9 180.0 -3.0 74.6 43.4 165 -2.5 0 0.0 0 0.0 0 0.0 15 57
154 428 ALA A E E DI - 165 0 -161.9 147.9 177.0 -173.8 66.5 162.5 165 -0.8 165 -1.6 0 0.0 0 0.0 15 72
155 429 VAL V E E DI + 164 0 -154.6 145.0 178.9 161.1 8.7 166.9 0 0.0 0 0.0 0 0.0 0 0.0 14 72
156 430 TYR Y E E DI - 163 0 -156.7 156.3 -179.0 -129.3 29.1 170.6 163 -1.4 163 -3.2 0 0.0 158 -0.5 14 61
157 431 GLU E E E DI + 162 0 -117.1 115.9 176.8 178.1 19.2 162.0 0 0.0 159 -0.6 0 0.0 0 0.0 11 53
158 432 LYS K E E DI > T - 161 0 -119.5 117.7 -171.0 -51.9 67.4 177.0 161 -1.3 161 -1.6 156 -0.5 0 0.0 7 43
159 433 ASN N T T 3 TS- 0 0 -10.2 94.9 179.0 -6.8 122.5 68.0 157 -0.6 0 0.0 0 0.0 0 0.0 5 30
160 434 GLY G T e 3 TS+ 0 0 119.0 -46.0 -176.4 80.2 119.9 117.0 0 0.0 175 -1.0 0 0.0 0 0.0 7 27
161 435 TYR Y E E DIJ< T - 158 174 -98.2 151.5 178.0 -149.5 61.7 125.2 158 -1.6 158 -1.3 0 0.0 0 0.0 10 36
162 436 ILE I E E DIJ - 157 173 -113.9 124.6 -178.4 -145.7 22.3 161.4 173 -1.3 173 -2.6 0 0.0 164 -0.6 14 57
163 437 TYR Y E E DIJ - 156 172 -104.6 114.0 -179.8 -169.3 13.7 159.1 156 -3.2 156 -1.4 0 0.0 0 0.0 12 66
164 438 PHE F E E DIJ - 155 171 -101.8 132.6 178.0 -161.7 5.2 146.0 171 -2.1 171 -3.4 162 -0.6 166 -0.5 14 68
165 439 PHE F E E DIJ - 154 170 -117.6 112.2 178.4 -179.1 8.8 170.2 154 -1.6 153 -2.5 0 0.0 154 -0.8 15 62
166 440 ASN N E E D J> T - 0 169 -112.2 102.4 -179.0 -56.1 63.7 158.4 169 -1.8 169 -1.0 164 -0.5 0 0.0 13 52
167 441 GLY G T T 3 TS- 0 0 65.0 -140.7 -179.7 -9.2 124.5 112.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
168 442 PRO P T e 3 TS+ 0 0 -77.2 27.5 -173.8 93.4 122.6 81.6 0 0.0 186 -1.5 0 0.0 0 0.0 13 38
169 443 ILE I E E DJK< T - 166 185 -132.4 144.4 -179.1 -158.3 56.5 156.3 166 -1.0 166 -1.8 0 0.0 0 0.0 11 43
170 444 GLN Q E E DJK - 165 184 -122.5 130.5 179.4 -161.9 6.8 166.8 184 -2.7 184 -2.8 0 0.0 0 0.0 12 51
171 445 PHE F E E DJK - 164 183 -116.9 128.4 176.8 -153.8 10.9 162.9 164 -3.4 164 -2.1 0 0.0 173 -0.9 14 47
172 446 GLU E E E DJK - 163 182 -96.9 101.2 -176.4 -173.9 31.5 153.2 182 -2.6 181 -2.7 0 0.0 182 -1.0 12 41
173 447 TYR Y E E DJK - 162 180 -101.3 153.5 176.1 -132.2 23.7 131.3 162 -2.6 162 -1.3 171 -0.9 175 -0.6 13 40
174 448 SER S E E >DJK >T - 161 179 -109.1 114.1 -179.0 -164.3 8.0 158.7 179 -1.1 178 -2.1 0 0.0 179 -0.6 12 31
175 449 ILE I T e 4 5TS+ 0 0 -64.5 -22.0 -177.0 46.2 93.3 34.2 160 -1.0 0 0.0 173 -0.6 0 0.0 9 37
176 450 TRP W T T 4 5TS+ 0 0 -97.4 -19.7 177.4 29.3 122.9 47.6 0 0.0 0 0.0 0 0.0 0 0.0 4 22
177 451 SER S T T 4 5TS- 0 0 -116.9 0.1 -178.9 -136.8 94.6 64.4 0 0.0 0 0.0 0 0.0 0 0.0 5 19
178 452 ASN N T T < 5T + 0 0 43.6 51.5 -179.0 117.8 64.0 23.2 174 -2.1 0 0.0 0 0.0 0 0.0 8 26
179 453 ARG R E E DK T - 169 0 -78.2 142.9 -178.1 -122.5 44.7 132.2 0 0.0 188 -1.8 0 0.0 0 0.0 9 32
186 460 ALA A G e > TS+ 0 0 -57.4 -38.3 -180.0 62.6 106.9 28.5 168 -1.5 189 -1.5 0 0.0 0 0.0 14 45
187 461 ASN N G G > TS+ 0 0 -69.0 -1.5 176.9 85.7 76.6 67.2 0 0.0 190 -1.1 0 0.0 0 0.0 14 47
188 462 SER S G G X TS+ 0 0 -73.0 -15.3 179.2 71.3 76.0 38.4 185 -1.8 191 -2.0 0 0.0 0 0.0 8 41
189 463 ILE I G G < TS+ 0 0 -64.9 -21.4 -179.4 41.2 105.1 35.8 186 -1.5 0 0.0 0 0.0 0 0.0 6 61
190 464 LEU L G G < TS- 0 0 -106.4 9.5 -178.4 -103.5 127.3 75.6 187 -1.1 0 0.0 0 0.0 0 0.0 8 48
191 465 TRP W g < T 0 0 60.3 89.1 -179.3 999.9 999.9 11.2 188 -2.0 0 0.0 0 0.0 0 0.0 6 30
192 466 CYS C 0 0 -144.2 999.9 999.9 999.9 999.9 172.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
1pex-.pdb
1PEX METALLOPROTEASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT TT SEEEEETTEEEEEETTEEEEE SSSS EEEEHHHH TTS SS EEEEETTTTEEEEEETTEEEEESTT TT SEESTTTT TT Kabs/Sand
chirality --++-++-----+----+----+--+------+-++---+--+++++++--+----+---++-+----+--+----+--+---+++---+++-+--+++ chirality
bends SS SS S SSS SS SSSS SSSS SSS SS SSS SS SSS SS S SSSS SS bends
turns TTTTTTT TTTT TTTT TTTTTTTTT TTTTTT TTTT TTTT TTTT TTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X33< >33< >33< >33<>33< >33< >33< >33< >33< >33< 3-turns
bridge-2 BBBBB CCCC EEEEE FF bridge-2
bridge-1 AAAAA AAAAA BBBBB CCCC DDDDD DDDDD EEEEE FF bridge-1
sheets AAAAA AAAAAA AAAAA AAAA BBBBB BBBBBB BBBBB BB sheets
4-turns >>44<< >444< 4-turns
summary tTTtTTt SEEEEETTEEEEEETeEEEEE SSSS EEEEHHHHhTTt SS EEEEETTTTEEEEEETeEEEEEtTTt tTTtSEEeTTTTttTTt summary
sequence TPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE TTTSEEEEEETTEEEEEETTTS B SS BHHHHSTTS S SEEEEETTEEEEEETTEEEEEETTTTEEEEEEEGGGGG Kabs/Sand
chirality +----+---++-+-------+------++-+---++++--++++-++--+-+--+-+--+-------+------++-+----+--++++- chirality
bends SSSS SS SSSS SS SSSSS SS S S SS SS SSS S SSSSS bends
turns TTTTT TTTT TTTTT TTTTTTTTT TTTT TTTT TTTTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>>X<<< 3-turns
bridge-2 HHHHHH A B JJJJJJ KKKKKK bridge-2
bridge-1 GGGG GGGG HHHHHH B A IIIII IIIII JJJJJJ KK*KKKK bridge-1
sheets CCCC CCCCCC CCCCCC DDDDD DDDDDD DDDDDD DDDDDDD sheets
4-turns >444< >444< >>44<< >444< 4-turns
summary EEEEeTTTeEEEEEETTEEEEEEeTTt B SS hHHHHhTTt S SEEEEETeEEEEEETeEEEEEEeTTTEEEEEEEeGGGGg summary
sequence KKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC sequence
110 120 130 140 150 160 170 180 190