Secondary structure calculation program - copyright by David Keith Smith, 1989
1moq-.pdb
1MOQ GLUTAMINE AMIDOTRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 366
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
1 243 GLY G 0 0 999.9 -179.4 179.6 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 3 21
2 244 ASP D - 0 0 -101.7 128.8 -179.8 -168.7 999.9 147.0 0 0.0 0 0.0 0 0.0 0 0.0 3 20
3 245 LYS K t > T - 0 0 -82.7 -19.9 -178.2 -176.3 22.6 48.3 1 -0.5 6 -2.5 0 0.0 0 0.0 9 22
4 246 GLY G T T 3 TS- 0 0 60.8 -122.6 -179.0 -6.1 71.0 111.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
5 247 ILE I T T 3 TS+ 0 0 -80.3 -10.3 -178.3 99.4 115.6 56.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15
6 248 TYR Y t < T - 0 0 -83.7 149.5 178.8 -146.6 65.1 122.5 3 -2.5 0 0.0 0 0.0 0 0.0 8 26
7 249 ARG R S S S+ 0 0 -76.1 -36.7 -176.4 24.8 85.7 32.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
8 250 HIS H S h > TS- 0 0 -130.7 154.9 175.7 -125.9 71.6 157.5 0 0.0 12 -2.5 0 0.0 0 0.0 10 41
9 251 TYR Y H H > TS+ 0 0 -62.6 -42.1 -177.8 54.0 114.6 25.2 0 0.0 13 -2.7 0 0.0 0 0.0 12 42
10 252 MET M H H > TS+ 0 0 -62.0 -35.8 -179.5 49.6 108.5 29.6 0 0.0 14 -1.5 0 0.0 0 0.0 15 55
11 253 GLN Q H H > TS+ 0 0 -65.9 -48.7 175.1 47.6 111.9 17.9 0 0.0 15 -2.3 0 0.0 0 0.0 10 57
12 254 LYS K H H X TS+ 0 0 -52.4 -47.0 -177.7 52.5 111.3 20.3 8 -2.5 16 -1.9 0 0.0 0 0.0 11 44
13 255 GLU E H H < TS+ 0 0 -63.9 -32.9 176.8 50.4 107.3 33.4 9 -2.7 0 0.0 0 0.0 0 0.0 12 57
14 256 ILE I H H < > TS+ 0 0 -68.5 -45.7 -178.7 46.0 113.7 19.7 10 -1.5 17 -1.4 0 0.0 0 0.0 12 66
15 257 TYR Y H H < 3 TS+ 0 0 -72.4 -18.8 174.9 61.6 105.4 44.3 11 -2.3 0 0.0 0 0.0 0 0.0 9 56
16 258 GLU E T h X 3 TS+ 0 0 -79.3 -9.8 -175.8 98.4 76.3 59.6 12 -1.9 20 -3.2 0 0.0 0 0.0 9 53
17 259 GLN Q H H > < TS+ 0 0 -50.6 -46.6 177.7 51.0 78.5 28.0 14 -1.4 21 -3.1 0 0.0 0 0.0 15 60
18 260 PRO P H H > TS+ 0 0 -55.7 -49.6 -179.8 40.2 117.4 16.3 0 0.0 22 -2.7 0 0.0 0 0.0 12 49
19 261 ASN N H H > TS+ 0 0 -67.3 -38.6 178.2 52.5 114.6 27.2 0 0.0 23 -2.6 0 0.0 0 0.0 9 41
20 262 ALA A H H X TS+ 0 0 -62.9 -44.2 178.3 45.8 112.1 22.6 16 -3.2 24 -2.4 0 0.0 0 0.0 13 52
21 263 ILE I H H X TS+ 0 0 -64.9 -41.9 176.1 51.8 111.5 23.4 17 -3.1 25 -1.6 0 0.0 0 0.0 14 57
22 264 LYS K H H X TS+ 0 0 -57.4 -47.3 178.9 49.1 111.4 19.3 18 -2.7 26 -1.2 0 0.0 0 0.0 10 47
23 265 ASN N H H < TS+ 0 0 -62.1 -39.4 176.5 53.8 107.0 27.1 19 -2.6 0 0.0 0 0.0 0 0.0 9 39
24 266 THR T H H < TS+ 0 0 -64.5 -30.3 -178.6 49.0 109.9 37.1 20 -2.4 0 0.0 0 0.0 0 0.0 14 53
25 267 LEU L H H < > TS+ 0 0 -81.3 -20.3 -176.9 117.0 84.5 44.0 21 -1.6 28 -2.3 0 0.0 0 0.0 11 56
26 268 THR T T h < 3 TS+ 0 0 -55.4 123.7 -178.9 1.4 88.2 102.9 22 -1.2 0 0.0 0 0.0 0 0.0 7 36
27 269 GLY G T T 3 TS+ 0 0 81.3 -5.1 -175.1 85.4 116.3 68.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
28 270 ARG R S e < TS+ 0 0 -111.1 3.4 177.0 69.3 72.7 68.1 25 -2.3 35 -3.4 0 0.0 30 -0.5 9 42
29 271 ILE I E E AA + 34 0 -121.8 113.4 -178.4 173.0 60.1 170.8 0 0.0 0 0.0 0 0.0 0 0.0 11 39
30 272 SER S E E AA > TS- 33 0 -125.7 110.6 178.8 -21.2 70.3 163.4 33 -3.3 33 -0.9 28 -0.5 0 0.0 8 26
31 273 HIS H T T 3 TS- 0 0 60.2 43.0 176.3 -48.7 128.1 25.7 0 0.0 0 0.0 0 0.0 0 0.0 4 23
32 274 GLY G T T 3 TS+ 0 0 76.6 7.4 -178.5 103.1 121.2 55.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
33 275 GLN Q E E AA < TS- 30 0 -127.6 147.4 -178.6 -102.6 79.7 156.7 30 -0.9 30 -3.3 0 0.0 0 0.0 9 38
34 276 VAL V E E AA - 29 0 -69.7 126.8 -179.3 -160.4 33.6 120.9 0 0.0 36 -0.7 0 0.0 0 0.0 12 48
35 277 ASP D e + 0 0 -113.9 103.0 -179.8 162.2 24.5 152.7 28 -3.4 0 0.0 0 0.0 0 0.0 10 43
36 278 LEU L g > T + 0 0 -109.2 35.5 -178.6 128.6 31.4 98.6 34 -0.7 39 -2.1 0 0.0 0 0.0 7 47
37 279 SER S G G > T + 0 0 -65.9 -16.0 176.8 80.1 55.9 45.3 0 0.0 40 -2.1 0 0.0 0 0.0 7 34
38 280 GLU E G G 3 TS+ 0 0 -62.3 -16.3 -177.4 68.9 80.4 45.4 0 0.0 0 0.0 0 0.0 0 0.0 5 33
39 281 LEU L G G < TS- 0 0 -79.1 -7.7 -178.6 -116.4 111.7 58.8 36 -2.1 0 0.0 0 0.0 0 0.0 10 37
40 282 GLY G g < T - 0 0 99.1 178.0 -176.8 -61.4 32.5 106.4 37 -2.1 0 0.0 0 0.0 0 0.0 6 22
41 283 PRO P S S S+ 0 0 -82.1 -7.7 177.9 47.8 128.5 58.6 0 0.0 0 0.0 0 0.0 0 0.0 6 17
42 284 ASN N S h > TS+ 0 0 -109.8 -5.3 -178.8 93.2 86.1 62.1 0 0.0 46 -1.9 0 0.0 0 0.0 7 23
43 285 ALA A H H > TS+ 0 0 -54.0 -49.1 -177.8 49.0 83.9 22.9 0 0.0 47 -3.2 0 0.0 0 0.0 10 34
44 286 ASP D H H > TS+ 0 0 -66.0 -28.6 178.2 54.9 107.0 38.4 0 0.0 48 -2.2 0 0.0 0 0.0 8 37
45 287 GLU E H H > TS+ 0 0 -68.6 -43.6 177.9 41.7 114.0 25.3 0 0.0 49 -0.8 0 0.0 0 0.0 7 29
46 288 LEU L H H X > TS+ 0 0 -63.7 -56.2 -178.0 48.4 116.6 9.5 42 -1.9 49 -1.7 0 0.0 50 -0.6 10 38
47 289 LEU L H H < > TS+ 0 0 -55.7 -34.9 178.3 56.1 106.9 34.4 43 -3.2 50 -1.0 0 0.0 0 0.0 9 54
48 290 SER S H H < 3 TS+ 0 0 -70.0 -24.6 -179.3 57.1 102.2 37.1 44 -2.2 0 0.0 0 0.0 0 0.0 9 40
49 291 LYS K H H < < TS+ 0 0 -79.2 -13.7 -177.5 115.7 81.6 52.0 46 -1.7 0 0.0 45 -0.8 0 0.0 7 34
50 292 VAL V h < < T + 0 0 -64.1 126.7 178.1 161.3 26.8 111.8 47 -1.0 0 0.0 46 -0.6 0 0.0 11 45
51 293 GLU E + 0 0 -118.4 -9.2 -179.8 26.2 69.7 66.6 98 -2.6 0 0.0 0 0.0 0 0.0 10 40
52 294 HIS H E E Bb - 99 0 -153.6 147.2 177.2 -148.4 65.6 169.6 98 -1.3 100 -2.7 0 0.0 0 0.0 13 47
53 295 ILE I E E Bbc - 100 80 -122.4 132.3 176.7 -166.5 7.5 170.8 79 -2.1 81 -2.8 0 0.0 0 0.0 13 59
54 296 GLN Q E E Bbc - 101 81 -114.5 129.1 177.2 -166.3 8.1 169.0 100 -3.2 102 -2.9 0 0.0 0 0.0 12 63
55 297 ILE I E E Bbc - 102 82 -117.1 135.1 175.5 -173.9 4.5 165.3 81 -2.9 83 -2.7 0 0.0 0 0.0 13 74
56 298 LEU L E E Bbc + 103 83 -123.3 140.9 177.1 127.2 22.1 170.6 102 -2.4 104 -1.7 0 0.0 0 0.0 17 66
57 299 ALA A E E B c - 0 84 -171.9 174.6 175.8 -125.6 39.2 164.3 83 -1.4 85 -1.7 0 0.0 0 0.0 15 66
58 300 CYS C h > > T - 0 0 -128.6 164.0 173.5 -12.1 64.8 152.0 0 0.0 61 -1.3 0 0.0 62 -0.6 13 59
59 301 GLY G H H > > TS- 0 0 53.9 -136.8 -175.9 -5.0 130.4 101.8 0 0.0 63 -1.1 0 0.0 62 -0.8 6 60
60 302 THR T H H > 3 TS+ 0 0 -64.0 -27.5 179.6 64.0 132.0 34.6 0 0.0 64 -1.7 0 0.0 0 0.0 10 68
61 303 SER S H H > < TS+ 0 0 -68.9 -27.1 174.6 54.1 98.6 33.7 58 -1.3 65 -1.8 0 0.0 0 0.0 13 69
62 304 TYR Y H H X < TS+ 0 0 -68.2 -38.3 -178.0 55.8 104.4 25.7 59 -0.8 66 -2.4 58 -0.6 0 0.0 14 65
63 305 ASN N H H X TS+ 0 0 -62.6 -40.8 179.7 47.7 107.3 26.8 59 -1.1 67 -1.7 0 0.0 0 0.0 12 67
64 306 SER S H H X TS+ 0 0 -68.8 -37.9 176.4 50.7 111.5 23.6 60 -1.7 68 -2.3 0 0.0 0 0.0 13 73
65 307 GLY G H H X TS+ 0 0 -60.3 -40.3 -179.9 54.6 107.6 22.9 61 -1.8 69 -1.6 0 0.0 0 0.0 15 66
66 308 MET M H H X TS+ 0 0 -61.7 -39.6 176.2 48.9 107.5 28.8 62 -2.4 70 -0.7 0 0.0 0 0.0 11 60
67 309 VAL V H H X > TS+ 0 0 -61.3 -49.4 -174.5 55.1 108.6 15.4 63 -1.7 70 -1.3 0 0.0 71 -1.0 15 68
68 310 SER S H H X 3 TS+ 0 0 -58.6 -28.4 177.9 68.9 93.2 40.7 64 -2.3 72 -3.3 0 0.0 0 0.0 12 67
69 311 ARG R H H X 3 TS+ 0 0 -56.3 -42.2 -179.1 50.1 99.3 25.3 65 -1.6 73 -2.2 0 0.0 0 0.0 11 59
70 312 TYR Y H H X < TS+ 0 0 -63.2 -40.5 178.3 46.7 113.3 25.5 67 -1.3 74 -2.5 66 -0.7 0 0.0 11 50
71 313 TRP W H H X >TS+ 0 0 -68.2 -49.2 179.6 50.2 110.8 21.6 67 -1.0 75 -2.6 0 0.0 76 -1.1 12 59
72 314 PHE F H H X 5TS+ 0 0 -57.9 -42.1 -177.4 38.7 119.1 23.9 68 -3.3 78 -2.3 0 0.0 76 -0.7 13 54
73 315 GLU E H H < 5TS+ 0 0 -74.1 -49.8 -174.6 36.3 123.2 20.5 69 -2.2 0 0.0 0 0.0 0 0.0 11 37
74 316 SER S H H < 5TS+ 0 0 -76.6 -31.4 -176.8 27.2 131.4 36.0 70 -2.5 0 0.0 0 0.0 0 0.0 8 38
75 317 LEU L H H < 5TS+ 0 0 -100.8 -45.2 -180.0 27.2 133.3 34.1 71 -2.6 0 0.0 0 0.0 0 0.0 10 45
76 318 ALA A S h < Bc T - 57 0 -57.3 130.3 -175.8 -128.6 39.5 117.6 0 0.0 88 -1.9 0 0.0 0 0.0 10 44
85 327 ALA A H H > TS+ 0 0 -58.4 -37.4 178.3 54.4 106.3 32.6 57 -1.7 89 -2.6 0 0.0 0 0.0 13 50
86 328 SER S H H > TS+ 0 0 -64.4 -35.8 178.1 51.0 107.9 25.6 0 0.0 90 -1.3 0 0.0 0 0.0 10 37
87 329 GLU E H H 4 TS+ 0 0 -65.8 -41.5 -179.2 46.7 112.5 21.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
88 330 PHE F H H < > TS+ 0 0 -64.4 -49.5 -173.8 51.9 109.5 22.4 84 -1.9 91 -1.2 0 0.0 0 0.0 12 40
89 331 ARG R H H < 3 TS+ 0 0 -66.0 -19.8 -177.9 47.0 111.3 44.9 85 -2.6 0 0.0 0 0.0 0 0.0 10 35
90 332 TYR Y T h < 3 TS+ 0 0 -103.6 6.0 -179.5 69.0 103.3 71.8 86 -1.3 0 0.0 0 0.0 0 0.0 6 25
91 333 ARG R S t < TS- 0 0 -124.4 156.4 175.5 -117.0 80.3 155.0 88 -1.2 93 -0.9 0 0.0 0 0.0 6 22
92 334 LYS K - 0 0 -89.3 110.9 -178.4 -166.0 45.1 145.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
93 335 SER S - 0 0 -99.3 162.3 176.2 -122.4 25.6 121.4 91 -0.9 95 -0.7 0 0.0 0 0.0 5 30
94 336 ALA A - 0 0 -99.4 107.1 -177.8 -142.5 32.6 157.2 0 0.0 0 0.0 0 0.0 0 0.0 4 27
95 337 VAL V - 0 0 -74.8 136.3 179.8 -128.1 15.3 125.2 93 -0.7 0 0.0 0 0.0 0 0.0 8 37
96 338 ARG R t > T - 0 0 -82.5 159.3 179.4 -87.1 32.9 117.6 0 0.0 99 -0.9 0 0.0 0 0.0 7 32
97 339 ARG R T T 3 TS- 0 0 -66.2 134.4 178.5 -0.4 107.5 113.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
98 340 ASN N T e 3 TS+ 0 0 49.7 54.6 -178.4 177.0 91.7 24.5 0 0.0 51 -2.6 0 0.0 52 -1.3 10 32
99 341 SER S E E Bb < T - 52 0 -95.1 133.0 175.6 -147.5 24.3 134.2 96 -0.9 126 -3.1 0 0.0 127 -0.8 14 42
100 342 LEU L E E Bbd - 53 127 -96.2 128.1 176.8 -143.0 13.0 152.5 52 -2.7 54 -3.2 0 0.0 102 -0.6 14 57
101 343 MET M E E Bbd - 54 128 -93.0 124.4 177.9 -176.1 20.3 142.7 127 -2.7 129 -2.9 0 0.0 0 0.0 15 69
102 344 ILE I E E Bbd - 55 129 -120.8 130.1 174.0 -164.3 7.2 168.1 54 -2.9 56 -2.4 100 -0.6 0 0.0 12 83
103 345 THR T E E Bbd - 56 130 -111.2 142.9 176.9 -158.4 3.8 157.4 129 -2.2 131 -2.9 0 0.0 0 0.0 14 78
104 346 LEU L E E B d + 0 131 -118.0 128.8 179.3 148.1 26.9 172.7 56 -1.7 0 0.0 0 0.0 0 0.0 15 79
105 347 SER S E E B d - 0 132 -160.4 127.9 175.9 -154.9 40.4 153.7 131 -2.1 133 -0.9 0 0.0 0 0.0 16 78
106 348 GLN Q S S S+ 0 0 -63.2 -52.3 -176.3 31.9 104.6 14.4 0 0.0 133 -1.3 0 0.0 0 0.0 11 67
107 349 SER S S S S- 0 0 -77.7 -30.0 -177.9 -140.7 89.7 39.8 0 0.0 0 0.0 0 0.0 0 0.0 10 57
108 350 GLY G S S S+ 0 0 77.9 7.2 -177.4 80.1 87.2 60.1 0 0.0 139 -2.6 0 0.0 0 0.0 14 59
109 351 GLU E + 0 0 -126.3 -1.3 -179.5 135.6 47.4 68.0 0 0.0 0 0.0 0 0.0 0 0.0 13 43
110 352 THR T h > T - 0 0 -53.8 123.1 -176.7 -138.6 52.1 111.9 0 0.0 114 -2.6 0 0.0 0 0.0 13 50
111 353 ALA A H H > TS+ 0 0 -55.7 -45.1 -179.6 47.0 98.2 26.9 363 -2.4 115 -2.8 0 0.0 0 0.0 10 40
112 354 ASP D H H > TS+ 0 0 -64.2 -42.0 -178.6 46.8 114.0 24.5 0 0.0 116 -2.3 0 0.0 0 0.0 12 42
113 355 THR T H H > TS+ 0 0 -65.1 -44.6 178.5 47.8 114.2 20.4 0 0.0 117 -2.2 0 0.0 0 0.0 15 58
114 356 LEU L H H X TS+ 0 0 -62.4 -42.2 176.4 51.5 111.1 23.3 110 -2.6 118 -2.7 0 0.0 0 0.0 12 57
115 357 ALA A H H X TS+ 0 0 -60.3 -43.7 179.2 51.9 108.5 23.5 111 -2.8 119 -2.8 0 0.0 0 0.0 10 47
116 358 GLY G H H X TS+ 0 0 -59.5 -44.3 178.9 47.1 111.0 24.1 112 -2.3 120 -2.1 0 0.0 0 0.0 13 56
117 359 LEU L H H X TS+ 0 0 -62.9 -48.4 -178.9 48.0 113.2 21.1 113 -2.2 121 -1.2 0 0.0 0 0.0 13 59
118 360 ARG R H H < > TS+ 0 0 -60.2 -45.6 177.8 47.9 113.4 18.4 114 -2.7 121 -0.8 0 0.0 0 0.0 9 42
119 361 LEU L H H < > TS+ 0 0 -59.0 -42.0 -177.8 59.4 105.0 25.7 115 -2.8 122 -1.8 0 0.0 0 0.0 9 40
120 362 SER S H H < >>TS+ 0 0 -60.0 -29.6 -179.2 72.4 90.0 36.1 116 -2.1 123 -1.6 0 0.0 125 -0.8 10 49
121 363 LYS K T h < <5TS+ 0 0 -60.3 -18.0 -179.0 41.5 103.3 43.5 117 -1.2 0 0.0 118 -0.8 0 0.0 9 38
122 364 GLU E T T <5TS+ 0 0 -106.7 -0.4 -173.8 71.8 102.5 64.7 119 -1.8 0 0.0 0 0.0 0 0.0 6 28
123 365 LEU L T T <5TS- 0 0 -103.1 3.8 178.2 -100.7 107.6 69.6 120 -1.6 0 0.0 0 0.0 0 0.0 7 30
124 366 GLY G T T 5T + 0 0 85.6 29.9 176.8 158.7 59.1 37.4 0 0.0 0 0.0 0 0.0 0 0.0 7 31
125 367 TYR Y t TS- 0 0 -119.1 111.3 -178.6 -140.1 75.7 158.4 0 0.0 137 -1.3 0 0.0 0 0.0 10 44
135 377 PRO P T T 3 TS+ 0 0 -65.6 143.4 177.7 17.6 84.4 114.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
136 378 GLY G T T 3 TS+ 0 0 72.0 10.0 179.4 141.2 89.6 55.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
137 379 SER S h > < T - 0 0 -79.0 166.4 -177.8 -99.0 68.2 110.5 134 -1.3 141 -2.8 0 0.0 0 0.0 10 39
138 380 SER S H H > TS+ 0 0 -54.7 -45.7 -177.7 51.0 121.5 31.0 0 0.0 142 -2.5 0 0.0 0 0.0 9 42
139 381 LEU L H H > TS+ 0 0 -62.8 -34.0 -179.2 46.2 113.5 30.6 108 -2.6 143 -0.6 0 0.0 0 0.0 14 52
140 382 VAL V H H 4 > TS+ 0 0 -70.9 -50.6 -180.0 46.9 114.5 15.4 0 0.0 143 -1.0 0 0.0 0 0.0 14 44
141 383 ARG R H H < 3 TS+ 0 0 -58.4 -40.0 -176.4 45.1 115.6 31.6 137 -2.8 0 0.0 0 0.0 0 0.0 7 36
142 384 GLU E H H < 3 TS+ 0 0 -87.2 -4.6 -179.4 87.4 95.4 62.5 138 -2.5 0 0.0 0 0.0 0 0.0 7 40
143 385 SER S S h < < TS- 0 0 -92.6 159.7 177.7 -129.5 77.0 131.3 140 -1.0 0 0.0 139 -0.6 0 0.0 12 47
144 386 ASP D S S S+ 0 0 -67.5 -44.4 -177.8 18.5 94.2 23.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
145 387 LEU L E E Be - 129 0 -125.4 153.0 177.0 -165.1 69.0 154.1 128 -2.4 130 -2.5 0 0.0 0 0.0 10 48
146 388 ALA A E E Be - 130 0 -142.5 139.1 174.4 -169.4 10.8 176.0 0 0.0 0 0.0 0 0.0 0 0.0 11 54
147 389 LEU L E E Be - 131 0 -123.0 107.4 -178.8 -147.3 23.2 165.2 130 -2.7 132 -1.1 0 0.0 0 0.0 10 63
148 390 MET M E E Be - 132 0 -76.1 144.3 -178.9 -141.7 7.9 122.5 0 0.0 0 0.0 0 0.0 0 0.0 11 61
149 391 THR T e - 0 0 -80.1 -21.9 176.4 -151.9 19.7 40.3 132 -2.3 0 0.0 0 0.0 0 0.0 12 63
150 392 ASN N + 0 0 59.3 36.1 -179.9 138.8 46.6 32.5 0 0.0 0 0.0 0 0.0 0 0.0 9 50
151 393 ALA A - 0 0 -88.1 -8.0 -174.4 -116.3 64.0 57.8 0 0.0 0 0.0 0 0.0 0 0.0 15 49
152 394 GLY G - 0 0 86.0 165.5 -178.2 -35.6 58.5 96.9 0 0.0 0 0.0 0 0.0 0 0.0 6 43
153 395 THR T - 0 0 -61.9 144.0 -179.6 -148.5 57.4 108.2 0 0.0 155 -0.6 0 0.0 0 0.0 6 49
154 396 GLU E + 0 0 -117.7 112.3 -176.3 170.3 22.5 164.8 0 0.0 0 0.0 0 0.0 0 0.0 11 51
155 397 ILE I + 0 0 -94.5 -33.6 178.3 99.6 46.5 41.5 153 -0.6 0 0.0 0 0.0 0 0.0 9 41
156 398 GLY G S S S- 0 0 -54.9 137.4 179.8 -132.8 75.2 110.5 0 0.0 0 0.0 0 0.0 0 0.0 13 52
157 399 VAL V S S S+ 0 0 -62.6 -34.8 177.6 65.7 94.8 29.9 354 -2.1 0 0.0 0 0.0 0 0.0 11 52
158 400 ALA A S S S- 0 0 -86.9 131.2 -178.0 -120.6 94.6 137.2 0 0.0 0 0.0 0 0.0 0 0.0 10 62
159 401 A SER S + 0 0 -76.3 135.8 178.5 146.0 47.7 123.9 0 0.0 0 0.0 0 0.0 0 0.0 11 75
160 402 THR T S h > > TS+ 0 0 -129.4 -78.1 179.4 27.8 76.8 58.5 0 0.0 164 -1.8 0 0.0 163 -1.0 11 74
161 403 LYS K H H > 3 TS+ 0 0 -62.8 -26.8 177.8 62.0 117.4 38.4 0 0.0 165 -2.4 0 0.0 0 0.0 13 73
162 404 ALA A H H > 3 TS+ 0 0 -64.6 -33.2 -178.0 46.5 106.4 28.6 0 0.0 166 -1.4 0 0.0 0 0.0 12 69
163 405 PHE F H H > < TS+ 0 0 -72.7 -48.8 -179.1 44.2 113.8 23.2 160 -1.0 167 -2.2 0 0.0 0 0.0 12 78
164 406 THR T H H X TS+ 0 0 -69.2 -33.2 176.8 49.8 114.9 29.6 160 -1.8 168 -1.9 0 0.0 0 0.0 13 80
165 407 THR T H H X TS+ 0 0 -72.6 -30.6 176.4 53.5 108.3 32.1 161 -2.4 169 -2.7 0 0.0 0 0.0 15 68
166 408 GLN Q H H X TS+ 0 0 -62.6 -43.9 -179.2 48.9 109.4 19.8 162 -1.4 170 -2.8 0 0.0 0 0.0 14 73
167 409 LEU L H H X TS+ 0 0 -61.5 -38.0 178.8 52.7 109.7 27.2 163 -2.2 171 -2.5 0 0.0 0 0.0 13 77
168 410 THR T H H X TS+ 0 0 -63.3 -47.8 177.9 44.3 111.6 21.7 164 -1.9 172 -2.2 0 0.0 0 0.0 13 76
169 411 VAL V H H X TS+ 0 0 -62.4 -43.1 179.8 52.1 113.2 21.6 165 -2.7 173 -2.5 0 0.0 0 0.0 13 73
170 412 LEU L H H X TS+ 0 0 -58.3 -44.0 -179.9 49.8 108.7 21.4 166 -2.8 174 -2.3 0 0.0 0 0.0 10 80
171 413 LEU L H H X TS+ 0 0 -64.4 -39.3 175.2 52.3 108.9 24.9 167 -2.5 175 -2.3 0 0.0 0 0.0 11 72
172 414 MET M H H X TS+ 0 0 -60.3 -40.0 178.9 50.3 109.6 23.1 168 -2.2 176 -2.8 0 0.0 0 0.0 11 70
173 415 LEU L H H X TS+ 0 0 -65.3 -39.5 177.0 53.1 107.2 24.8 169 -2.5 177 -2.7 0 0.0 0 0.0 8 77
174 416 VAL V H H X TS+ 0 0 -57.7 -45.8 179.6 47.3 111.5 19.6 170 -2.3 178 -2.2 0 0.0 0 0.0 12 70
175 417 ALA A H H X TS+ 0 0 -60.8 -50.7 179.0 49.2 111.6 18.5 171 -2.3 179 -1.7 0 0.0 0 0.0 13 56
176 418 LYS K H H X TS+ 0 0 -56.6 -44.3 177.2 47.3 113.1 25.2 172 -2.8 180 -2.5 0 0.0 0 0.0 12 57
177 419 LEU L H H X TS+ 0 0 -67.5 -34.9 179.6 56.6 106.5 31.4 173 -2.7 181 -1.7 0 0.0 0 0.0 11 56
178 420 SER S H H < >TS+ 0 0 -64.2 -33.8 179.1 45.2 111.6 28.3 174 -2.2 183 -3.0 0 0.0 0 0.0 16 48
179 421 ARG R H H < >5TS+ 0 0 -74.3 -43.4 176.5 52.7 109.5 23.3 175 -1.7 182 -2.0 0 0.0 0 0.0 11 43
180 422 LEU L H H < 35TS+ 0 0 -61.4 -27.1 179.5 51.5 109.4 36.7 176 -2.5 0 0.0 0 0.0 0 0.0 10 38
181 423 LYS K T h < 35TS- 0 0 -89.0 2.3 179.8 -118.4 116.9 67.4 177 -1.7 0 0.0 0 0.0 0 0.0 8 33
182 424 GLY G T T <5T + 0 0 63.3 36.7 179.0 158.3 58.3 31.7 179 -2.0 0 0.0 0 0.0 0 0.0 7 28
183 425 LEU L t > T - 0 0 -48.8 126.7 179.3 -134.7 45.9 98.3 0 0.0 187 -1.9 0 0.0 188 -0.7 8 23
185 427 ALA A H H > 3 TS+ 0 0 -58.8 -19.4 -179.6 74.9 98.8 45.7 0 0.0 189 -2.1 0 0.0 0 0.0 9 27
186 428 SER S H H > 3 TS+ 0 0 -66.9 -27.7 -179.0 63.8 85.6 36.8 0 0.0 190 -3.2 0 0.0 0 0.0 6 32
187 429 ILE I H H > < TS+ 0 0 -59.9 -49.8 -179.8 40.4 108.0 13.7 184 -1.9 191 -2.0 0 0.0 0 0.0 11 40
188 430 GLU E H H X TS+ 0 0 -64.8 -40.0 -178.4 51.7 114.9 25.8 184 -0.7 192 -2.8 0 0.0 0 0.0 14 48
189 431 HIS H H H X TS+ 0 0 -64.2 -42.8 177.2 51.6 108.3 21.6 185 -2.1 193 -3.1 0 0.0 0 0.0 10 39
190 432 ASP D H H X TS+ 0 0 -54.2 -47.2 178.9 46.3 112.5 21.6 186 -3.2 194 -3.0 0 0.0 0 0.0 9 40
191 433 ILE I H H X TS+ 0 0 -60.8 -47.5 179.5 48.5 113.3 18.4 187 -2.0 195 -3.3 0 0.0 0 0.0 13 55
192 434 VAL V H H X TS+ 0 0 -61.8 -43.7 -179.4 45.1 114.3 21.4 188 -2.8 196 -2.7 0 0.0 0 0.0 13 53
193 435 HIS H H H X TS+ 0 0 -66.7 -41.9 179.4 48.8 114.5 22.9 189 -3.1 197 -1.8 0 0.0 0 0.0 8 37
194 436 GLY G H H X TS+ 0 0 -61.4 -47.0 -179.0 46.2 114.5 20.2 190 -3.0 198 -1.3 0 0.0 0 0.0 11 49
195 437 LEU L H H < TS+ 0 0 -62.1 -43.8 -178.4 50.8 110.7 22.5 191 -3.3 0 0.0 0 0.0 0 0.0 10 61
196 438 GLN Q H H < TS+ 0 0 -65.4 -29.5 176.8 45.9 113.6 29.5 192 -2.7 0 0.0 0 0.0 0 0.0 9 50
197 439 ALA A H H X TS+ 0 0 -80.1 -21.3 -174.8 84.2 94.7 47.0 193 -1.8 201 -1.8 0 0.0 0 0.0 8 41
198 440 LEU L H H X TS+ 0 0 -55.1 -47.4 -179.6 55.3 80.8 30.0 194 -1.3 202 -2.8 0 0.0 0 0.0 12 54
199 441 PRO P H H > TS+ 0 0 -52.6 -45.5 -177.9 45.1 111.7 22.0 0 0.0 203 -2.3 0 0.0 0 0.0 13 48
200 442 SER S H H > TS+ 0 0 -72.1 -33.1 175.3 52.4 111.4 27.1 0 0.0 204 -1.8 0 0.0 0 0.0 8 36
201 443 ARG R H H X TS+ 0 0 -65.8 -42.9 177.9 47.1 110.9 21.6 197 -1.8 205 -2.6 0 0.0 0 0.0 10 43
202 444 ILE I H H X TS+ 0 0 -63.2 -39.8 178.7 53.3 110.4 23.4 198 -2.8 206 -2.8 0 0.0 0 0.0 12 49
203 445 GLU E H H < TS+ 0 0 -59.9 -37.8 -178.4 49.9 109.2 29.1 199 -2.3 0 0.0 0 0.0 0 0.0 10 38
204 446 GLN Q H H < > TS+ 0 0 -64.7 -52.4 177.2 45.6 112.6 18.8 200 -1.8 207 -1.4 0 0.0 0 0.0 8 32
205 447 MET M H H < > TS+ 0 0 -57.4 -40.9 179.0 63.3 103.6 32.5 201 -2.6 208 -1.4 0 0.0 0 0.0 8 43
206 448 LEU L T h < 3 TS+ 0 0 -62.1 -14.3 -179.7 60.6 96.8 47.9 202 -2.8 0 0.0 0 0.0 0 0.0 9 42
207 449 SER S T T < TS+ 0 0 -87.4 -15.3 178.4 64.3 93.8 44.3 204 -1.4 209 -0.6 0 0.0 0 0.0 6 29
208 450 GLN Q t X T + 0 0 -100.9 51.6 -179.3 138.7 58.7 111.3 205 -1.4 210 -1.0 0 0.0 211 -0.6 8 32
209 451 ASP D T T 3 T + 0 0 -92.7 51.6 179.6 78.3 54.2 110.3 207 -0.6 0 0.0 0 0.0 0 0.0 9 38
210 452 LYS K T h > 3 TS+ 0 0 -128.1 -37.6 177.0 47.9 86.8 53.4 208 -1.0 214 -1.7 0 0.0 0 0.0 6 30
211 453 ARG R H H > < TS+ 0 0 -73.4 -27.9 179.1 52.2 115.5 36.6 208 -0.6 215 -1.8 0 0.0 0 0.0 8 36
212 454 ILE I H H > TS+ 0 0 -70.1 -44.6 175.5 51.8 105.7 24.8 0 0.0 216 -2.6 0 0.0 0 0.0 12 46
213 455 GLU E H H > TS+ 0 0 -56.8 -42.7 177.8 49.7 111.2 26.4 0 0.0 217 -1.7 0 0.0 0 0.0 11 35
214 456 ALA A H H X TS+ 0 0 -64.7 -41.2 178.5 46.5 110.7 27.5 210 -1.7 218 -1.3 0 0.0 0 0.0 8 33
215 457 LEU L H H X TS+ 0 0 -66.2 -35.5 -177.6 58.8 108.4 27.1 211 -1.8 219 -1.5 0 0.0 0 0.0 9 48
216 458 ALA A H H X TS+ 0 0 -59.3 -40.0 178.7 54.2 101.8 25.5 212 -2.6 220 -1.8 0 0.0 0 0.0 12 53
217 459 GLU E H H < TS+ 0 0 -60.2 -37.3 -179.1 52.3 106.3 27.3 213 -1.7 0 0.0 0 0.0 0 0.0 10 33
218 460 ASP D H H < TS+ 0 0 -67.6 -30.4 -176.2 38.7 116.6 41.2 214 -1.3 0 0.0 0 0.0 0 0.0 8 46
219 461 PHE F H H < > TS+ 0 0 -94.1 -16.1 -170.4 89.2 90.4 49.9 215 -1.5 222 -2.1 0 0.0 0 0.0 9 55
220 462 SER S T h < 3 TS+ 0 0 -62.0 -21.7 -179.6 40.5 94.2 45.6 216 -1.8 0 0.0 0 0.0 0 0.0 10 42
221 463 ASP D T T 3 TS+ 0 0 -105.0 5.4 -177.9 105.4 94.3 73.3 0 0.0 0 0.0 0 0.0 0 0.0 6 35
222 464 LYS K t < T - 0 0 -90.4 149.2 179.3 -164.0 50.6 125.9 219 -2.1 0 0.0 0 0.0 0 0.0 11 43
223 465 HIS H S e S+ 0 0 -107.3 -4.8 178.8 37.7 74.2 63.1 271 -0.6 251 -1.5 0 0.0 0 0.0 9 35
224 466 HIS H E E Cf + 251 0 -139.8 159.3 174.2 175.2 57.6 161.7 271 -0.9 0 0.0 0 0.0 0 0.0 11 46
225 467 ALA A E E Cf - 252 0 -159.4 149.7 176.2 -147.6 18.3 161.6 251 -1.7 253 -2.5 0 0.0 0 0.0 15 61
226 468 LEU L E E Cfg - 253 274 -121.7 121.8 177.8 -160.3 12.2 177.5 273 -2.4 275 -2.8 0 0.0 228 -0.5 13 63
227 469 PHE F E E Cfg - 254 275 -102.5 125.0 -179.5 -169.5 11.8 160.9 253 -2.4 255 -2.5 0 0.0 0 0.0 16 68
228 470 LEU L E E Cfg + 255 276 -117.0 142.4 176.5 156.1 14.6 155.6 275 -3.2 277 -2.5 226 -0.5 0 0.0 15 63
229 471 GLY G E E Cf - 256 0 -156.4 154.2 177.1 -142.0 26.3 164.4 255 -1.1 257 -2.6 0 0.0 0 0.0 18 59
230 472 ARG R g > T - 0 0 -118.3 143.5 175.6 -25.7 64.0 159.8 0 0.0 233 -2.0 0 0.0 0 0.0 10 50
231 473 GLY G G G > TS+ 0 0 59.9 -139.4 -177.3 2.8 133.9 103.6 0 0.0 234 -2.1 0 0.0 0 0.0 7 46
232 474 ASP D G G 3 TS+ 0 0 -62.3 -6.3 176.2 56.3 134.5 54.6 0 0.0 0 0.0 0 0.0 0 0.0 13 55
233 475 GLN Q G h > < TS+ 0 0 -98.5 -10.6 177.6 78.2 86.9 57.8 230 -2.0 237 -2.2 0 0.0 0 0.0 12 58
234 476 TYR Y H H > < TS+ 0 0 -62.3 -45.5 176.8 47.9 95.1 15.3 231 -2.1 238 -2.6 0 0.0 0 0.0 16 53
235 477 PRO P H H > TS+ 0 0 -65.4 -23.2 175.9 55.4 108.7 42.6 0 0.0 239 -2.0 0 0.0 0 0.0 13 62
236 478 ILE I H H > TS+ 0 0 -75.3 -37.3 171.4 49.0 106.9 24.4 0 0.0 240 -2.6 0 0.0 0 0.0 15 67
237 479 ALA A H H X TS+ 0 0 -60.4 -44.9 178.3 53.4 110.2 22.5 233 -2.2 241 -2.8 0 0.0 0 0.0 15 64
238 480 LEU L H H X TS+ 0 0 -55.7 -48.3 -178.5 43.9 111.6 21.0 234 -2.6 242 -2.5 0 0.0 0 0.0 13 60
239 481 GLU E H H X TS+ 0 0 -66.5 -36.8 177.3 52.6 112.0 28.0 235 -2.0 243 -2.8 0 0.0 0 0.0 11 69
240 482 GLY G H H X TS+ 0 0 -64.9 -44.9 179.6 44.6 112.4 21.1 236 -2.6 244 -1.8 0 0.0 0 0.0 14 76
241 483 ALA A H H X TS+ 0 0 -66.6 -40.9 179.1 52.4 112.7 25.6 237 -2.8 245 -2.5 0 0.0 0 0.0 14 62
242 484 LEU L H H X TS+ 0 0 -59.9 -45.8 178.9 50.9 108.5 19.8 238 -2.5 246 -3.1 0 0.0 0 0.0 12 56
243 485 LYS K H H X TS+ 0 0 -59.0 -41.3 179.1 49.5 109.3 24.6 239 -2.8 247 -2.2 0 0.0 0 0.0 13 70
244 486 LEU L H H X TS+ 0 0 -65.8 -38.0 175.8 46.7 113.9 22.4 240 -1.8 248 -1.6 0 0.0 250 -1.3 14 68
245 487 LYS K H H X TS+ 0 0 -61.9 -51.9 -172.4 51.3 113.0 17.0 241 -2.5 249 -0.9 0 0.0 0 0.0 11 54
246 488 GLU E H H < TS+ 0 0 -55.1 -54.5 -173.0 14.1 126.1 25.3 242 -3.1 0 0.0 0 0.0 0 0.0 10 52
247 489 ILE I H H < TS+ 0 0 -109.6 -10.4 175.6 37.1 133.6 52.1 243 -2.2 0 0.0 0 0.0 0 0.0 14 58
248 490 SER S H H < TS- 0 0 -112.2 -13.5 179.9 -136.3 90.2 57.7 244 -1.6 0 0.0 0 0.0 0 0.0 13 52
249 491 TYR Y h < T + 0 0 66.3 21.6 175.6 147.2 52.4 43.9 245 -0.9 0 0.0 0 0.0 0 0.0 7 44
250 492 ILE I - 0 0 -87.8 141.3 178.2 -113.4 61.1 136.1 244 -1.3 252 -2.2 0 0.0 0 0.0 10 49
251 493 HIS H E E Cf + 224 0 -77.5 81.1 179.7 167.4 52.4 119.1 223 -1.5 225 -1.7 0 0.0 0 0.0 9 38
252 494 ALA A E E Cf - 225 0 -97.3 129.1 -179.4 -172.2 12.6 148.8 250 -2.2 0 0.0 0 0.0 0 0.0 13 50
253 495 GLU E E E Cf - 226 0 -126.9 134.3 176.3 -143.2 13.2 170.5 225 -2.5 227 -2.4 0 0.0 0 0.0 11 50
254 496 ALA A E E Cf + 227 0 -91.5 154.7 -178.3 177.7 21.8 126.7 0 0.0 0 0.0 0 0.0 0 0.0 14 56
255 497 TYR Y E E Cf - 228 0 -153.5 147.1 176.0 -95.3 40.1 172.0 227 -2.5 229 -1.1 0 0.0 0 0.0 13 48
256 498 ALA A E E Cf > T - 229 0 -62.6 135.1 -175.9 -127.4 40.0 118.0 0 0.0 259 -2.2 0 0.0 0 0.0 10 45
257 499 ALA A G e > TS+ 0 0 -58.7 -30.9 -178.0 58.5 106.8 34.1 229 -2.6 260 -1.0 0 0.0 0 0.0 11 50
258 500 GLY G G G 3 TS+ 0 0 -75.5 -8.9 -178.8 56.9 101.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 6 40
259 501 GLU E G G X TS+ 0 0 -101.4 1.3 179.3 100.3 72.1 66.5 256 -2.2 262 -1.3 0 0.0 0 0.0 9 34
260 502 LEU L G G X>TS+ 0 0 -51.0 -46.4 -176.8 48.0 86.3 23.7 257 -1.0 265 -2.1 0 0.0 263 -1.0 12 46
261 503 LYS K G G 35TS+ 0 0 -68.4 -21.0 -176.2 72.2 98.0 46.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
262 504 HIS H G G <5TS- 0 0 -83.1 19.4 178.5 -41.1 128.2 80.4 259 -1.3 0 0.0 0 0.0 0 0.0 6 21
263 505 GLY G T g X5TS+ 0 0 163.2 -67.9 -174.5 70.6 122.2 103.4 260 -1.0 266 -1.7 0 0.0 0 0.0 8 25
264 506 PRO P G G > >5TS+ 0 0 -57.0 -24.5 -179.0 76.0 83.9 42.8 0 0.0 267 -2.0 0 0.0 268 -0.7 9 40
265 507 LEU L G G 4 > TS- 0 0 -157.3 -172.2 -177.6 -67.5 74.4 150.6 0 0.0 272 -2.2 0 0.0 0 0.0 11 36
270 512 ALA A T T 3 TS+ 0 0 -60.6 -22.4 179.7 56.0 129.1 44.5 297 -1.6 0 0.0 0 0.0 0 0.0 9 36
271 513 ASP D T T 3 TS+ 0 0 -94.8 9.0 176.5 59.5 101.4 70.5 0 0.0 224 -0.9 0 0.0 223 -0.6 9 38
272 514 MET M S t < TS- 0 0 -135.8 79.3 179.2 -163.4 75.2 131.9 269 -2.2 0 0.0 0 0.0 0 0.0 13 47
273 515 PRO P e - 0 0 -60.1 144.8 178.7 -137.3 12.9 106.1 0 0.0 226 -2.4 0 0.0 275 -0.5 16 63
274 516 VAL V E E Cgh - 226 301 -110.2 120.6 178.2 -161.2 14.2 160.4 300 -2.3 302 -2.8 0 0.0 0 0.0 13 76
275 517 ILE I E E Cgh - 227 302 -100.1 132.3 179.3 -161.7 1.8 151.9 226 -2.8 228 -3.2 273 -0.5 0 0.0 12 76
276 518 VAL V E E Cgh - 228 303 -116.8 127.1 -175.6 -144.1 10.6 165.6 302 -2.8 304 -2.5 0 0.0 278 -0.8 14 73
277 519 VAL V E E C h - 0 304 -100.1 107.7 174.7 -39.7 64.9 147.9 228 -2.5 0 0.0 0 0.0 0 0.0 15 72
278 520 ALA A S e S- 0 0 50.7 57.7 179.2 -176.2 75.2 31.1 304 -2.3 0 0.0 276 -0.8 0 0.0 11 65
279 521 PRO P - 0 0 -79.3 153.9 170.9 -127.0 22.3 119.3 0 0.0 0 0.0 0 0.0 0 0.0 12 58
280 522 ASN N h > T - 0 0 -85.2 175.9 -178.7 -94.4 39.6 107.5 0 0.0 284 -2.6 0 0.0 0 0.0 7 41
281 523 ASN N H H > TS+ 0 0 -59.3 -44.8 -179.4 53.1 122.9 24.7 0 0.0 285 -2.6 0 0.0 0 0.0 7 31
282 524 GLU E H H > TS+ 0 0 -59.7 -44.9 179.3 44.7 112.8 22.6 0 0.0 286 -1.6 0 0.0 0 0.0 6 25
283 525 LEU L H H > TS+ 0 0 -66.2 -47.8 179.5 51.1 112.1 21.1 0 0.0 287 -2.8 0 0.0 0 0.0 8 41
284 526 LEU L H H X TS+ 0 0 -60.1 -36.6 177.5 56.3 106.1 26.6 280 -2.6 288 -2.8 0 0.0 0 0.0 9 51
285 527 GLU E H H X TS+ 0 0 -59.1 -45.5 177.1 45.0 110.1 21.9 281 -2.6 289 -2.0 0 0.0 0 0.0 8 38
286 528 LYS K H H X TS+ 0 0 -61.0 -46.2 -178.4 48.1 114.7 20.0 282 -1.6 290 -2.5 0 0.0 0 0.0 8 35
287 529 LEU L H H X TS+ 0 0 -64.8 -34.9 180.0 51.5 110.0 30.6 283 -2.8 291 -2.7 0 0.0 0 0.0 9 54
288 530 LYS K H H X TS+ 0 0 -67.7 -38.7 178.3 51.1 109.4 22.8 284 -2.8 292 -2.1 0 0.0 0 0.0 10 48
289 531 SER S H H X TS+ 0 0 -62.7 -41.7 177.6 48.1 111.4 23.6 285 -2.0 293 -1.3 0 0.0 0 0.0 8 34
290 532 ASN N H H X TS+ 0 0 -64.1 -44.8 -178.4 49.9 110.6 22.4 286 -2.5 294 -0.6 0 0.0 0 0.0 11 43
291 533 ILE I H H < > TS+ 0 0 -63.8 -30.9 177.3 60.0 104.2 31.4 287 -2.7 294 -1.0 0 0.0 0 0.0 12 51
292 534 GLU E H H < > TS+ 0 0 -63.3 -36.2 176.5 63.0 95.5 27.8 288 -2.1 295 -1.9 0 0.0 0 0.0 8 34
293 535 GLU E H H < 3 TS+ 0 0 -58.9 -23.9 -179.6 40.7 109.0 40.8 289 -1.3 0 0.0 0 0.0 0 0.0 7 30
294 536 VAL V G h < X>TS+ 0 0 -112.8 23.7 178.1 114.9 78.0 87.5 291 -1.0 299 -2.3 290 -0.6 297 -1.0 12 33
295 537 ARG R G G X5TS+ 0 0 -59.3 -39.5 179.6 62.3 70.8 24.8 292 -1.9 298 -2.4 0 0.0 0 0.0 10 29
296 538 ALA A G G 35TS+ 0 0 -59.4 -23.7 177.2 45.9 106.1 41.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
297 539 ARG R G G <5TS- 0 0 -101.5 10.7 177.7 -107.5 120.7 72.2 294 -1.0 270 -1.6 0 0.0 0 0.0 8 24
298 540 GLY G T g <5T + 0 0 73.6 27.3 179.2 177.8 52.1 36.0 295 -2.4 0 0.0 0 0.0 0 0.0 9 33
299 541 GLY G t T - 0 322 -60.1 124.7 176.0 -137.6 32.3 115.3 0 0.0 309 -2.5 0 0.0 0 0.0 12 42
307 549 GLN Q G e > TS+ 0 0 -54.1 -33.2 179.1 67.3 102.5 31.4 322 -3.6 310 -1.8 0 0.0 0 0.0 10 29
308 550 ASP D G G 3 TS+ 0 0 -62.7 -17.3 -179.1 72.1 83.3 47.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
309 551 ALA A G G < TS- 0 0 -71.1 -19.4 178.4 -137.7 98.0 44.3 306 -2.5 0 0.0 0 0.0 0 0.0 8 29
310 552 GLY G g < T + 0 0 72.0 24.9 179.0 168.8 38.0 42.6 307 -1.8 0 0.0 0 0.0 0 0.0 6 27
311 553 PHE F - 0 0 -69.1 146.2 178.5 -148.6 21.5 117.5 0 0.0 0 0.0 0 0.0 0 0.0 7 36
312 554 VAL V - 0 0 -120.1 131.5 -179.0 -117.3 14.5 165.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
313 555 SER S - 0 0 -63.7 149.1 176.9 -177.6 32.7 105.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
314 556 SER S B B A > T - 317 0 -131.8 -178.4 -177.1 -81.1 47.8 130.2 317 -2.8 317 -0.8 0 0.0 0 0.0 6 25
315 557 ASP D T T 3 TS+ 0 0 -62.9 -29.7 -179.2 25.5 130.8 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
316 558 ASN N T e 3 TS+ 0 0 -117.7 16.6 179.6 65.0 117.3 81.7 0 0.0 301 -2.5 0 0.0 0 0.0 11 39
317 559 MET M E E CiA< T - 301 314 -142.0 108.7 -175.4 -169.9 61.9 154.8 314 -0.8 314 -2.8 0 0.0 319 -0.7 11 47
318 560 HIS H E E Ci - 302 0 -107.1 109.2 -179.7 -152.5 10.1 152.4 301 -2.8 303 -2.9 0 0.0 0 0.0 12 45
319 561 ILE I E E Ci - 303 0 -83.7 124.6 176.5 -163.0 3.7 133.0 317 -0.7 321 -0.8 0 0.0 0 0.0 11 46
320 562 ILE I E E Ci - 304 0 -106.7 96.7 -174.1 -141.6 26.4 155.3 303 -3.6 305 -2.1 0 0.0 0 0.0 9 52
321 563 GLU E E E Ci - 305 0 -71.5 135.0 180.0 -172.4 20.9 116.3 319 -0.8 0 0.0 0 0.0 0 0.0 8 47
322 564 MET M E E Ci - 306 0 -122.2 153.4 175.2 -95.3 32.2 157.5 305 -2.7 307 -3.6 0 0.0 0 0.0 8 50
323 565 PRO P - 0 0 -62.0 146.5 174.8 -96.3 50.1 106.1 0 0.0 0 0.0 0 0.0 0 0.0 7 44
324 566 HIS H - 0 0 -61.3 138.8 178.8 -176.6 52.5 116.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
325 567 VAL V - 0 0 -135.9 165.5 177.5 -78.3 37.0 154.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
326 568 GLU E g > > T - 0 0 -63.3 129.1 -179.7 -132.3 40.2 119.4 0 0.0 329 -1.3 0 0.0 330 -0.7 7 40
327 569 GLU E G G 4 > TS+ 0 0 -51.4 -41.6 -177.2 63.8 101.5 30.8 0 0.0 330 -1.1 0 0.0 0 0.0 6 50
328 570 VAL V G G 4 3 TS+ 0 0 -58.6 -31.3 -179.2 32.0 113.5 35.4 0 0.0 0 0.0 0 0.0 0 0.0 8 52
329 571 ILE I G h > < TS+ 0 0 -107.7 5.8 -177.7 105.0 88.6 68.9 326 -1.3 333 -2.4 0 0.0 0 0.0 12 66
330 572 ALA A H H X < TS+ 0 0 -55.0 -42.2 178.5 55.8 76.5 29.9 327 -1.1 334 -3.0 326 -0.7 0 0.0 9 61
331 573 PRO P H H > TS+ 0 0 -58.3 -39.0 -179.9 45.2 111.0 24.1 0 0.0 335 -0.6 0 0.0 0 0.0 12 67
332 574 ILE I H H > > TS+ 0 0 -68.7 -44.7 -178.4 49.2 114.0 18.5 0 0.0 335 -0.9 0 0.0 336 -0.8 10 81
333 575 PHE F H H < > TS+ 0 0 -60.5 -47.2 -177.1 51.6 108.4 24.4 329 -2.4 336 -0.8 0 0.0 0 0.0 11 70
334 576 TYR Y H H X 3 TS+ 0 0 -72.0 -9.2 176.4 71.4 96.0 56.7 330 -3.0 338 -0.7 0 0.0 0 0.0 12 77
335 577 THR T H H X < TS+ 0 0 -67.5 -41.0 -174.3 63.9 88.8 28.9 332 -0.9 339 -2.3 331 -0.6 0 0.0 12 81
336 578 VAL V H H X < TS+ 0 0 -56.0 -49.9 177.4 49.2 97.8 24.5 332 -0.8 340 -2.7 333 -0.8 0 0.0 11 76
337 579 PRO P H H > TS+ 0 0 -58.6 -33.9 -178.8 51.3 112.8 31.2 0 0.0 341 -2.3 0 0.0 0 0.0 8 68
338 580 LEU L H H X TS+ 0 0 -75.2 -35.0 174.6 48.3 109.3 27.8 334 -0.7 342 -2.1 0 0.0 0 0.0 10 84
339 581 GLN Q H H X TS+ 0 0 -63.1 -45.8 -179.2 46.7 115.0 21.1 335 -2.3 343 -2.5 0 0.0 0 0.0 12 73
340 582 LEU L H H X TS+ 0 0 -66.3 -37.1 177.8 55.2 108.3 28.8 336 -2.7 344 -2.9 0 0.0 0 0.0 11 72
341 583 LEU L H H X TS+ 0 0 -60.1 -49.7 180.0 43.8 111.7 17.8 337 -2.3 345 -2.3 0 0.0 0 0.0 13 69
342 584 ALA A H H X TS+ 0 0 -60.7 -44.1 -179.7 51.1 113.8 22.6 338 -2.1 346 -2.8 0 0.0 0 0.0 14 71
343 585 TYR Y H H X TS+ 0 0 -59.1 -45.4 179.0 47.2 111.4 19.0 339 -2.5 347 -2.3 0 0.0 0 0.0 12 62
344 586 HIS H H H X TS+ 0 0 -66.2 -37.8 177.0 49.9 111.4 28.2 340 -2.9 348 -2.1 0 0.0 0 0.0 11 52
345 587 VAL V H H X TS+ 0 0 -65.1 -42.3 179.5 50.1 111.8 20.0 341 -2.3 349 -2.6 0 0.0 0 0.0 14 52
346 588 ALA A H H X >TS+ 0 0 -60.1 -41.2 178.7 50.6 109.7 28.6 342 -2.8 350 -1.9 0 0.0 351 -1.7 14 52
347 589 A LEU L H H < 5TS+ 0 0 -62.9 -42.6 -180.0 48.1 111.1 21.5 343 -2.3 0 0.0 0 0.0 0 0.0 9 44
348 590 ILE I H H < 5TS+ 0 0 -62.3 -47.8 179.2 42.5 116.6 19.3 344 -2.1 0 0.0 0 0.0 0 0.0 8 33
349 591 LYS K H H < 5TS- 0 0 -72.6 -22.8 179.3 -127.9 107.1 42.3 345 -2.6 0 0.0 0 0.0 0 0.0 8 33
350 592 GLY G T h < 5T + 0 0 77.9 32.5 177.8 160.3 49.8 37.6 346 -1.9 0 0.0 0 0.0 0 0.0 6 29
351 593 THR T t T - 0 0 -58.1 145.3 -177.2 -81.1 40.7 104.6 0 0.0 359 -1.7 0 0.0 0 0.0 11 36
357 599 ARG R T T 3 TS- 0 0 -54.9 138.6 172.4 -1.0 107.1 98.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
358 600 ASN N T T 3 TS+ 0 0 66.5 6.0 179.7 113.7 103.6 60.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
359 601 LEU L t < T - 0 0 -108.0 157.7 -179.6 -152.8 49.2 138.7 356 -1.7 0 0.0 0 0.0 0 0.0 8 31
360 602 ALA A - 0 0 -125.7 153.3 176.6 -125.1 25.4 159.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
361 603 LYS K S S S- 0 0 -60.1 -42.2 176.8 -1.6 100.6 27.0 0 0.0 0 0.0 0 0.0 0 0.0 8 42
362 604 SER S - 0 0 -150.3 139.5 -179.0 -136.1 64.6 167.6 0 0.0 364 -1.1 0 0.0 0 0.0 7 45
363 605 VAL V + 0 0 -97.8 92.3 -173.5 160.8 38.3 145.5 0 0.0 111 -2.4 0 0.0 0 0.0 9 33
364 606 THR T + 0 0 -95.6 -7.3 178.9 64.3 51.2 56.2 362 -1.1 0 0.0 0 0.0 0 0.0 7 29
365 607 VAL V 0 0 -121.2 136.7 178.9 999.9 999.9 161.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
366 608 GLU E 0 0 -50.6 999.9 999.9 999.9 999.9 101.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
1moq-.pdb
1MOQ GLUTAMINE AMIDOTRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT SSHHHHHHHTHHHHHHHHHTTSEETTEE GGG SSHHHHHHH EEEEEE HHHHHHHHHHHHHHHHHS EEEEEHHHHHTS TTEE Kabs/Sand
chirality ---+-+-+++++++++++++++++++++--+--++++--+++++++++++----+---++++++++++++++++-+----+--++++++-------+-- chirality
bends SS SSSSSSSSSSSSSSSSSSSSSS SSSS SS SSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSS SS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTT TTTT TTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< >>3<< >>3<< >33< >33< >33< 3-turns
bridge-2 ccccc d bridge-2
bridge-1 AA AA bbbbb ccccc bb bridge-1
sheets AA AA BBBBBB BBBBB BB sheets
4-turns >>>>X<<>>XXX<<<< >>>>X<<<< >>>>XXXXXXXXXXX<<<< >>>4<<< 4-turns
summary tTTtShHHHHHHHhHHHHHHHHHhTeEETTEEegGGGgShHHHHHHHh EEEEEEhHHHHHHHHHHHHHHHHHh eEEEEEHHHHHht tTeEE summary
sequence GDKGIYRHYMQKEIYEQPNAIKNTLTGRISHGQVDLSELGPNADELLSKVEHIQILACGTSYNSGMVSRYWFESLAGIPCDVEIASEFRYRKSAVRRNSL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEESSS HHHHHHHHHHTTTT SEEEEEESSTT HHHHHSSEEEE SSS SHHHHHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHH Kabs/Sand
chirality ---+-+-++-++++++++++++-+------+-+-++-+++++-+-----+---++-+-++++++++++++++++++++++-+--++++++++++++++++ chirality
bends SSS SSSSSSSSSSSSS S SSSS SSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>><<< >33< >33< >33< >33< >33< 3-turns
bridge-2 ddddd eeee bridge-2
bridge-1 bbb dddddd eeee bridge-1
sheets BBBBB BBBBBB BBBB sheets
4-turns >>>>XXXX<<<< >>>4<<< >>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXXX<> 4-turns
summary EEEEESSS hHHHHHHHHHHhTTTtSEEEEEEetTThHHHHHhSEEEEe SSS hHHHHHHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHH summary
sequence MITLSQSGETADTLAGLRLSKELGYLGSLAICNVPGSSLVRESDLALMTNAGTEIGVASTKAFTTQLTVLLMLVAKLSRLKGLDASIEHDIVHGLQALPS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHTT TTHHHHHHHHHTT SEEEEEE GGGHHHHHHHHHHHHHHH EEEEEEGGGGGGTGGGG STTS EEEES HHHHHHHHHHHHHGGGGT Kabs/Sand
chirality +++++++++++++++++++++-++---+--+++++++++++++++++-+-+--+--+++++-++++++-++---------++++++++++++++++-+-- chirality
bends SSSSSSS SSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS SSSSSSSSSSS SSSS S SSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>333< >>3<< >>3XX3><<<>33< >>3XX3<< 3-turns
bridge-2 ggg hhhh bridge-2
bridge-1 ffffff ffffff ggg bridge-1
sheets CCCCCC CCCCCC CCCC sheets
4-turns XX<<<< >>>>XXX<<<< >>>>XXXXXXXXX<<<< >444< >>>>XXXXXXX<<<< 4-turns
summary HHHHHhTtThHHHHHHHHHhTteEEEEEEgGGhHHHHHHHHHHHHHHHh EEEEEEeGGGGGgGGGGgtTTteEEEEe hHHHHHHHHHHHHHhGGGgte summary
sequence RIEQMLSQDKRIEALAEDFSDKHHALFLGRGDQYPIALEGALKLKEISYIHAEAYAAGELKHGPLALIDADMPVIVVAPNNELLEKLKSNIEEVRARGGQ sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEEEGGG BTTEEEEEE GGGHHHHHHHHHHHHHHHHHHHHT SSS TT S Kabs/Sand
chirality ---+--++-+----++----------++++++++++++++++++++++-+-+++---+----++ chirality
bends SSS SS SSSSSSSSSSSSSSSSSSSSSSS SSS SS S bends
turns TTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>3<< >>3<< >33< 3-turns
bridge-2 iiiiii A bridge-2
bridge-1 hhhh A iiiiii bridge-1
sheets CCCCCC CCCCCC sheets
4-turns >44>X>>XXXXXXXXX<<<< 4-turns
summary EEEEEEeGGg BTeEEEEEE gGGhHHHHHHHHHHHHHHHHHHHHht SSStTTt S summary
sequence LYVFADQDAGFVSSDNMHIIEMPHVEEVIAPIFYTVPLQLLAYHVALIKGTDVDQPRNLAKSVTVE sequence
310 320 330 340 350 360