Secondary structure calculation program - copyright by David Keith Smith, 1989
1ijqA.pdb
1IJQ LIPID TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 308
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 A 377 ILE I 0 0 999.9 130.1 178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
2 A 378 ALA A e - 0 0 -89.6 141.9 178.4 -171.1 999.9 130.2 0 0.0 17 -0.6 0 0.0 0 0.0 8 38
3 A 379 TYR Y E E AAB - 250 16 -125.8 155.8 169.6 -137.3 20.0 150.7 250 -2.0 250 -3.0 0 0.0 0 0.0 11 51
4 A 380 LEU L E E AAB - 249 15 -108.5 132.2 175.5 -163.7 18.2 165.8 15 -3.0 15 -1.7 0 0.0 0 0.0 12 61
5 A 381 PHE F E E AAB + 248 14 -112.6 132.3 -177.3 175.0 16.9 163.6 248 -2.6 248 -2.5 0 0.0 0 0.0 13 69
6 A 382 PHE F E E AAB - 247 13 -145.5 151.3 -178.8 -110.8 33.0 173.4 13 -2.4 13 -2.8 0 0.0 0 0.0 13 72
7 A 383 THR T E E A B + 0 12 -78.7 141.0 -178.9 178.3 26.0 124.8 246 -2.6 0 0.0 0 0.0 0 0.0 17 68
8 A 384 ASN N e - 0 0 -137.0 45.2 178.7 -103.8 51.2 105.2 11 -2.8 10 -2.5 0 0.0 0 0.0 13 52
9 A 385 ARG R B B A S+ 32 0 68.5 -62.2 -177.9 34.1 115.5 108.9 32 -0.6 32 -2.3 0 0.0 0 0.0 13 44
10 A 386 HIS H S S S+ 0 0 -107.4 14.2 -177.8 7.0 129.8 74.8 8 -2.5 29 -2.5 0 0.0 0 0.0 11 36
11 A 387 GLU E S e S- 0 0 -175.2 167.6 169.5 -105.7 71.2 167.2 0 0.0 8 -2.8 0 0.0 0 0.0 14 44
12 A 388 VAL V E E ABC - 7 26 -107.9 125.6 177.5 -154.3 39.6 167.2 26 -1.8 26 -2.0 0 0.0 25 -1.4 15 56
13 A 389 ARG R E E ABC - 6 24 -99.2 159.3 179.6 -155.0 4.5 132.0 6 -2.8 6 -2.4 0 0.0 0 0.0 13 56
14 A 390 LYS K E E ABC + 5 23 -131.7 147.2 174.9 156.3 19.4 166.8 23 -2.7 23 -2.3 0 0.0 0 0.0 13 50
15 A 391 MET M E E AB - 4 0 -161.4 159.8 177.1 -110.4 37.0 165.2 4 -1.7 4 -3.0 0 0.0 0 0.0 12 42
16 A 392 THR T E E AB > T - 3 0 -79.5 -172.6 177.8 -104.0 39.5 98.8 20 -2.6 19 -0.6 0 0.0 0 0.0 12 38
17 A 393 LEU L T e 3 TS+ 0 0 -87.5 -8.6 -176.6 57.9 117.7 52.4 2 -0.6 0 0.0 0 0.0 0 0.0 9 43
18 A 394 ASP D T T 3 TS- 0 0 -112.3 31.6 179.6 -94.5 122.7 98.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
19 A 395 ARG R S t < TS+ 0 0 54.1 54.9 176.4 116.4 87.7 21.4 16 -0.6 0 0.0 0 0.0 0 0.0 9 27
20 A 396 SER S + 0 0 -143.9 165.7 -179.7 35.3 49.7 149.7 0 0.0 16 -2.6 0 0.0 0 0.0 7 22
21 A 397 GLU E - 0 0 54.7 47.4 177.7 -175.5 68.0 29.9 0 0.0 0 0.0 0 0.0 0 0.0 7 22
22 A 398 TYR Y + 0 0 -72.4 124.7 178.8 149.6 18.6 128.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
23 A 399 THR T E E AC - 14 0 -152.8 163.3 173.5 -108.9 55.9 167.4 14 -2.3 14 -2.7 0 0.0 25 -0.8 7 27
24 A 400 SER S E E AC - 13 0 -93.2 104.8 -174.3 -178.1 35.5 152.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
25 A 401 LEU L E E A* S+ 0 0 -73.0 -49.8 178.9 19.5 75.6 20.9 12 -1.4 0 0.0 23 -0.8 0 0.0 9 41
26 A 402 ILE I E E AC S- 12 0 -124.4 98.9 -179.8 -175.0 84.3 153.5 12 -2.0 12 -1.8 0 0.0 0 0.0 8 45
27 A 403 PRO P + 0 0 -87.1 174.9 174.8 43.7 52.8 106.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
28 A 404 ASN N S S S+ 0 0 61.6 38.7 172.0 142.8 71.2 34.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
29 A 405 LEU L - 0 0 -96.2 168.0 -176.9 -153.2 38.8 124.2 10 -2.5 0 0.0 0 0.0 0 0.0 11 39
30 A 406 ARG R S S S- 0 0 -110.9 -45.0 -178.4 -6.2 77.6 35.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32
31 A 407 ASN N S e S+ 0 0 -156.2 67.7 -179.5 176.5 72.1 116.0 0 0.0 49 -2.9 0 0.0 0 0.0 9 39
32 A 408 VAL V E E BDA + 48 9 -82.5 130.2 -175.5 162.5 9.5 127.1 9 -2.3 9 -0.6 0 0.0 0 0.0 16 52
33 A 409 VAL V E E B* + 0 0 -127.4 -7.1 179.1 28.5 58.3 62.5 47 -2.3 0 0.0 0 0.0 0 0.0 14 63
34 A 410 ALA A E E BD + 47 0 -152.5 155.3 177.8 174.9 56.9 171.6 47 -0.9 47 -2.1 0 0.0 0 0.0 15 72
35 A 411 LEU L E E BD + 46 0 -154.9 161.0 167.6 173.2 6.9 172.3 0 0.0 0 0.0 0 0.0 0 0.0 16 79
36 A 412 ASP D E E BD - 45 0 -157.4 169.9 -178.9 -149.0 15.9 162.7 45 -2.1 45 -3.0 0 0.0 0 0.0 11 74
37 A 413 THR T E E BD - 44 0 -140.2 164.4 166.5 -133.4 22.0 159.8 0 0.0 39 -0.6 0 0.0 0 0.0 10 63
38 A 414 GLU E E E >BD >T - 43 0 -110.4 104.4 -174.3 -164.3 30.2 170.4 43 -2.6 43 -2.1 0 0.0 42 -0.6 11 49
39 A 415 VAL V T T 4 >5TS+ 0 0 -61.8 -53.9 -177.2 42.2 80.7 20.1 37 -0.6 42 -0.9 0 0.0 0 0.0 11 41
40 A 416 ALA A T T 4 35TS+ 0 0 -65.1 -34.2 178.9 44.7 120.0 29.2 0 0.0 0 0.0 0 0.0 0 0.0 5 31
41 A 417 SER S T T 4 35TS- 0 0 -85.5 -6.1 176.7 -131.9 105.0 59.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
42 A 418 ASN N T e < <5T + 0 0 57.3 46.3 180.0 143.7 54.8 25.2 39 -0.9 59 -2.9 38 -0.6 0 0.0 9 35
43 A 419 ARG R E E BDE BDE >T - 32 53 -116.3 118.5 -178.4 -167.8 8.7 165.4 53 -2.8 53 -2.2 46 -0.5 52 -0.6 15 52
49 A 425 LEU L T e 4 5TS+ 0 0 -80.3 -6.7 179.4 83.7 73.4 53.8 31 -2.9 0 0.0 0 0.0 0 0.0 11 45
50 A 426 SER S T T 4 5TS+ 0 0 -60.1 -48.5 179.9 6.2 118.9 15.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
51 A 427 GLN Q T T 4 5TS- 0 0 -115.7 6.5 178.8 -113.2 109.4 72.3 0 0.0 0 0.0 0 0.0 0 0.0 5 31
52 A 428 ARG R T T < 5T + 0 0 57.4 73.3 177.8 133.8 66.2 4.9 48 -0.6 0 0.0 0 0.0 0 0.0 11 39
53 A 429 MET M E E BE CG >T - 82 0 -86.8 104.7 -175.4 -170.2 18.2 144.8 82 -3.5 81 -1.6 0 0.0 82 -1.2 13 66
78 A 462 TRP W T T 4 5TS+ 0 0 -75.7 -12.3 178.8 53.6 79.7 56.6 76 -1.0 0 0.0 0 0.0 0 0.0 10 55
79 A 463 ILE I T T 4 5TS+ 0 0 -87.0 -46.0 -177.1 25.5 121.9 31.9 0 0.0 0 0.0 0 0.0 0 0.0 9 51
80 A 464 HIS H T T 4 5TS- 0 0 -96.0 -6.5 -179.8 -124.5 102.0 58.6 0 0.0 0 0.0 0 0.0 0 0.0 9 56
81 A 465 SER S T e < 5T + 0 0 59.0 54.5 174.2 134.1 63.1 17.2 77 -1.6 98 -1.9 0 0.0 0 0.0 9 57
82 A 466 ASN N E E CGH C H >T - 0 92 -139.2 100.9 -170.5 -166.6 1.2 154.1 92 -2.0 91 -1.8 0 0.0 92 -1.6 17 55
88 A 472 SER S T T 4 5TS+ 0 0 -67.3 -23.3 177.4 47.3 87.4 43.9 70 -1.7 0 0.0 0 0.0 0 0.0 14 48
89 A 473 VAL V T T 4 5TS+ 0 0 -81.3 -44.8 179.1 41.2 117.0 28.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
90 A 474 LEU L T T 4 5TS- 0 0 -77.9 -16.5 178.1 -129.4 103.5 48.4 0 0.0 0 0.0 0 0.0 0 0.0 10 33
91 A 475 GLY G T e < 5T + 0 0 74.2 34.2 -171.8 133.1 62.8 32.8 87 -1.8 109 -2.5 0 0.0 0 0.0 14 42
92 A 476 THR T E E CHI T - 82 0 -66.1 162.7 -176.8 -101.5 51.3 109.1 102 -1.7 100 -2.2 0 0.0 0 0.0 11 53
98 A 482 THR T T e 3 TS+ 0 0 -67.6 -8.9 174.8 53.7 124.6 50.2 81 -1.9 0 0.0 0 0.0 0 0.0 10 49
99 A 483 LYS K T T 3 TS- 0 0 -98.7 -4.0 177.7 -123.7 110.3 65.0 0 0.0 0 0.0 0 0.0 0 0.0 6 39
100 A 484 GLY G S t < TS+ 0 0 73.0 18.7 -178.1 124.9 74.1 50.5 97 -2.2 0 0.0 0 0.0 0 0.0 9 41
101 A 485 VAL V S S S+ 0 0 -73.8 -48.7 -179.4 30.6 73.2 22.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
102 A 486 LYS K S e S+ 0 0 -112.1 144.5 -177.2 168.9 73.6 154.9 0 0.0 97 -1.7 0 0.0 0 0.0 9 40
103 A 487 ARG R E E CI - 96 0 -154.3 156.7 174.9 -171.3 14.6 169.4 0 0.0 0 0.0 0 0.0 0 0.0 11 48
104 A 488 LYS K E E CI - 95 0 -150.1 139.5 169.2 -128.9 27.0 165.9 95 -2.5 95 -2.4 0 0.0 106 -0.7 10 51
105 A 489 THR T E E CI - 94 0 -82.4 112.6 -176.1 -178.3 30.6 143.6 0 0.0 0 0.0 0 0.0 0 0.0 10 52
106 A 490 LEU L E E C* + 0 0 -81.9 -53.1 -179.3 14.8 61.0 27.0 93 -1.9 0 0.0 104 -0.7 0 0.0 11 58
107 A 491 PHE F E E CI - 93 0 -128.0 145.0 178.6 -177.9 62.2 170.2 93 -2.0 93 -2.0 0 0.0 0 0.0 8 50
108 A 492 ARG R E E CI + 92 0 -144.0 130.9 176.1 164.7 9.1 167.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
109 A 493 GLU E e > T - 0 0 -146.6 108.9 -178.6 -129.2 34.0 149.3 91 -2.5 112 -2.2 0 0.0 0 0.0 8 34
110 A 494 ASN N T T 3 TS+ 0 0 -61.6 131.2 -179.4 16.8 94.7 105.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
111 A 495 GLY G T T 3 TS+ 0 0 91.8 -12.1 178.2 124.1 94.3 72.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
112 A 496 SER S t < T - 0 0 -74.1 163.2 178.3 -146.6 53.0 112.4 109 -2.2 0 0.0 0 0.0 0 0.0 12 39
113 A 497 LYS K e - 0 0 -130.9 67.1 179.1 -174.6 17.3 122.4 0 0.0 131 -1.8 0 0.0 0 0.0 11 44
114 A 498 PRO P E E DJ + 130 0 -62.0 137.1 -176.3 155.7 17.4 114.5 0 0.0 0 0.0 0 0.0 0 0.0 15 64
115 A 499 ARG R E E D* + 0 0 -130.7 -90.9 -176.4 30.9 43.8 58.4 129 -2.7 0 0.0 0 0.0 0 0.0 15 68
116 A 500 ALA A E E D* - 0 0 -84.5 148.8 -175.4 -174.5 63.9 127.1 159 -0.7 129 -2.4 0 0.0 0 0.0 14 71
117 A 501 ILE I E E DJ - 128 0 -145.0 142.0 177.5 -176.9 12.2 175.4 0 0.0 0 0.0 0 0.0 0 0.0 17 78
118 A 502 VAL V E E DJ - 127 0 -135.5 152.7 179.5 -145.5 13.9 162.7 127 -2.6 127 -2.5 0 0.0 0 0.0 13 73
119 A 503 VAL V E E DJ - 126 0 -121.7 153.4 176.8 -159.1 10.1 154.2 0 0.0 0 0.0 0 0.0 0 0.0 13 71
120 A 504 ASP D E E >DJ >T + 125 0 -127.8 89.7 -175.3 177.5 13.8 144.6 125 -2.9 124 -1.7 0 0.0 125 -1.4 10 64
121 A 505 PRO P T T 4 5TS+ 0 0 -76.8 -6.2 174.9 60.3 77.6 62.6 0 0.0 0 0.0 0 0.0 0 0.0 13 58
122 A 506 VAL V T T 4 5TS+ 0 0 -85.2 -34.7 -176.2 28.3 118.4 36.4 0 0.0 0 0.0 0 0.0 0 0.0 6 51
123 A 507 HIS H T T 4 5TS- 0 0 -106.8 -7.7 177.0 -117.5 106.7 58.3 0 0.0 281 -2.8 0 0.0 0 0.0 8 52
124 A 508 GLY G T e < 5TS+ 0 0 80.8 24.2 -179.4 116.0 70.7 45.2 120 -1.7 142 -2.4 0 0.0 0 0.0 15 61
125 A 509 PHE F E E DJK T - 125 0 -72.1 152.0 178.0 -123.2 31.9 119.5 146 -2.4 144 -2.1 0 0.0 0 0.0 14 55
142 A 526 LEU L T e 3 TS+ 0 0 -70.0 -10.6 176.3 58.8 113.0 53.5 124 -2.4 0 0.0 0 0.0 0 0.0 14 65
143 A 527 ASN N T T 3 TS- 0 0 -98.5 6.3 174.5 -116.1 114.3 70.3 0 0.0 0 0.0 0 0.0 0 0.0 13 67
144 A 528 GLY G S t < TS+ 0 0 72.4 21.3 178.7 102.9 85.5 44.7 141 -2.1 0 0.0 0 0.0 0 0.0 9 56
145 A 529 VAL V + 0 0 -98.7 -66.0 -176.4 47.3 69.4 28.1 0 0.0 0 0.0 0 0.0 0 0.0 8 44
146 A 530 ASP D e + 0 0 -83.0 143.3 178.6 163.1 62.8 124.2 0 0.0 141 -2.4 0 0.0 0 0.0 6 36
147 A 531 ILE I E E DL + 140 0 -156.0 139.6 171.4 153.4 2.3 166.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
148 A 532 TYR Y E E DL - 139 0 -159.7 165.7 -179.2 -92.9 47.1 164.7 139 -2.1 139 -2.7 0 0.0 150 -0.7 7 37
149 A 533 SER S E E DL - 138 0 -86.8 115.4 -179.7 -178.6 32.1 144.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
150 A 534 LEU L E E D* S+ 0 0 -77.6 -43.1 179.8 28.9 75.0 34.3 137 -1.8 0 0.0 148 -0.7 0 0.0 10 45
151 A 535 VAL V E E DL + 137 0 -124.5 122.6 -179.6 147.8 59.8 170.4 137 -1.8 137 -1.8 0 0.0 0 0.0 9 49
152 A 536 THR T + 0 0 -127.9 -12.3 -177.8 77.7 52.2 60.5 0 0.0 0 0.0 0 0.0 0 0.0 10 35
153 A 537 GLU E S S S+ 0 0 -106.4 148.7 176.6 7.4 97.3 142.0 0 0.0 0 0.0 0 0.0 0 0.0 5 34
154 A 538 ASN N S S S+ 0 0 51.4 56.3 -177.4 121.4 95.5 20.9 0 0.0 0 0.0 0 0.0 0 0.0 4 37
155 A 539 ILE I + 0 0 -151.7 128.7 -176.5 148.0 19.2 168.4 0 0.0 0 0.0 0 0.0 0 0.0 11 45
156 A 540 GLN Q S S S+ 0 0 -130.2 -57.4 175.9 13.9 77.8 52.1 0 0.0 0 0.0 0 0.0 0 0.0 12 39
157 A 541 TRP W e - 0 0 -125.2 64.6 177.4 -179.9 69.3 120.9 0 0.0 175 -2.6 0 0.0 0 0.0 12 47
158 A 542 PRO P E E EM + 174 0 -65.4 122.1 -175.6 161.1 13.1 119.5 0 0.0 0 0.0 0 0.0 0 0.0 17 64
159 A 543 ASN N E E E* + 0 0 -109.6 -93.9 -176.9 28.6 48.3 62.4 173 -2.4 116 -0.7 0 0.0 0 0.0 16 70
160 A 544 GLY G E E E* - 0 0 -75.9 154.2 173.8 -176.6 59.4 105.6 204 -1.6 173 -2.0 0 0.0 0 0.0 15 76
161 A 545 ILE I E E EM - 172 0 -143.0 151.8 178.0 -179.1 1.4 168.0 0 0.0 0 0.0 0 0.0 0 0.0 17 74
162 A 546 THR T E E EM - 171 0 -151.2 152.3 -178.7 -140.6 14.5 167.6 171 -2.2 171 -2.6 0 0.0 0 0.0 12 72
163 A 547 LEU L E E EM - 170 0 -123.8 135.3 172.6 -154.4 10.7 168.4 0 0.0 165 -0.9 0 0.0 0 0.0 10 66
164 A 548 ASP D E E >EM >T - 169 0 -98.3 96.8 -167.9 -168.5 24.2 155.8 169 -2.9 169 -1.8 0 0.0 168 -0.9 10 50
165 A 549 LEU L T T 4 >5TS+ 0 0 -62.6 -48.5 179.3 55.1 76.6 23.5 163 -0.9 168 -0.9 0 0.0 0 0.0 9 45
166 A 550 LEU L T T 4 35TS+ 0 0 -50.3 -47.7 -177.5 35.2 117.8 32.0 0 0.0 0 0.0 0 0.0 0 0.0 4 32
167 A 551 SER S T T 4 35TS- 0 0 -88.9 -7.3 -179.5 -125.2 103.6 60.9 0 0.0 0 0.0 0 0.0 0 0.0 5 32
168 A 552 GLY G T e < <5T + 0 0 64.7 43.6 -177.4 143.0 61.3 27.7 165 -0.9 185 -1.9 164 -0.9 0 0.0 9 41
169 A 553 ARG R E E EMN EMN >T - 158 179 -119.3 114.1 -175.3 -163.7 1.3 167.1 179 -2.3 179 -1.7 0 0.0 178 -0.8 15 62
175 A 559 SER S T e 4 5TS+ 0 0 -73.2 -18.1 178.7 43.9 89.9 47.6 157 -2.6 0 0.0 173 -0.5 0 0.0 15 51
176 A 560 LYS K T T 4 5TS+ 0 0 -92.8 -38.2 -179.1 43.1 117.3 34.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
177 A 561 LEU L T T 4 5TS- 0 0 -86.5 -3.5 177.6 -131.5 102.0 60.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
178 A 562 HIS H T e < 5T + 0 0 53.1 53.7 -175.3 125.6 62.7 19.1 174 -0.8 196 -1.7 0 0.0 0 0.0 14 41
179 A 563 SER S E E ENO T - 169 0 -70.4 164.0 179.5 -107.3 42.7 119.3 188 -2.9 187 -2.1 0 0.0 0 0.0 11 38
185 A 569 VAL V T e 3 TS+ 0 0 -67.7 -13.3 176.6 55.8 120.7 49.9 168 -1.9 0 0.0 0 0.0 0 0.0 8 50
186 A 570 ASN N T T 3 TS- 0 0 -98.3 4.0 176.8 -102.1 123.9 68.1 0 0.0 0 0.0 0 0.0 0 0.0 5 40
187 A 571 GLY G S t < TS+ 0 0 94.8 0.0 -179.3 125.9 80.5 67.3 184 -2.1 0 0.0 0 0.0 0 0.0 9 37
188 A 572 GLY G + 0 0 -92.6 164.4 175.0 23.5 54.6 113.1 0 0.0 184 -2.9 0 0.0 0 0.0 7 23
189 A 573 ASN N S S S- 0 0 54.8 48.2 178.2 -169.4 72.3 29.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
190 A 574 ARG R - 0 0 -66.1 140.1 178.3 -174.6 5.5 112.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
191 A 575 LYS K E E EO - 182 0 -139.3 144.2 175.7 -137.2 26.5 174.6 182 -2.7 182 -2.5 0 0.0 193 -0.7 7 34
192 A 576 THR T E E EO - 181 0 -99.4 113.2 -174.2 -177.5 22.8 156.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
193 A 577 ILE I E E E* - 0 0 -79.4 -50.7 -178.6 -3.9 61.1 20.2 180 -1.9 0 0.0 191 -0.7 0 0.0 12 45
194 A 578 LEU L E E EO - 180 0 -150.2 142.3 174.5 -169.7 46.2 176.9 180 -1.5 180 -2.1 0 0.0 0 0.0 10 44
195 A 579 GLU E E E EO + 179 0 -129.6 108.2 -178.0 163.0 23.8 167.5 0 0.0 0 0.0 0 0.0 0 0.0 10 42
196 A 580 ASP D e > T - 0 0 -135.4 118.1 179.4 -161.9 28.9 160.1 178 -1.7 200 -1.1 0 0.0 0 0.0 9 39
197 A 581 GLU E T T 4 TS+ 0 0 -64.8 -32.0 -179.0 32.9 93.9 36.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
198 A 582 LYS K T T 4 > TS+ 0 0 -91.2 -57.6 -178.6 35.8 124.2 22.1 0 0.0 201 -1.3 0 0.0 0 0.0 5 35
199 A 583 ARG R T T 4 3 TS+ 0 0 -71.4 -25.5 173.4 41.2 128.0 40.6 0 0.0 0 0.0 0 0.0 0 0.0 8 45
200 A 584 LEU L T T < 3 TS+ 0 0 -111.6 42.2 177.8 131.4 75.4 101.3 196 -1.1 0 0.0 0 0.0 0 0.0 12 50
201 A 585 ALA A S t < TS- 0 0 -61.5 -39.5 174.4 -9.7 94.3 26.3 198 -1.3 0 0.0 0 0.0 0 0.0 12 36
202 A 586 HIS H S e S- 0 0 -159.2 73.7 -178.5 -170.7 80.1 114.5 0 0.0 218 -2.3 0 0.0 0 0.0 11 43
203 A 587 PRO P E E FP + 217 0 -66.7 148.6 -177.8 172.5 9.7 108.2 0 0.0 0 0.0 0 0.0 0 0.0 16 62
204 A 588 PHE F E E F* + 0 0 -123.0 -57.0 -175.6 12.8 56.5 45.7 216 -2.3 160 -1.6 0 0.0 0 0.0 15 67
205 A 589 SER S E E F* - 0 0 -127.1 159.0 178.6 -171.2 59.6 148.6 0 0.0 216 -2.3 0 0.0 0 0.0 14 73
206 A 590 LEU L E E FP - 215 0 -148.7 161.7 178.0 -173.2 7.9 162.6 0 0.0 0 0.0 0 0.0 0 0.0 17 80
207 A 591 ALA A E E FP - 214 0 -147.1 157.4 178.5 -144.7 13.4 163.4 214 -2.3 214 -3.0 0 0.0 0 0.0 12 71
208 A 592 VAL V E E FP + 213 0 -129.2 147.5 177.3 165.7 19.7 167.8 0 0.0 0 0.0 0 0.0 0 0.0 12 60
209 A 593 PHE F E E FP > T - 212 0 -161.1 132.2 -178.5 -36.7 60.3 155.9 212 -2.4 212 -2.7 0 0.0 0 0.0 7 45
210 A 594 GLU E T T 3 TS- 0 0 54.0 -125.3 -178.2 -17.9 126.8 105.2 0 0.0 0 0.0 0 0.0 0 0.0 4 36
211 A 595 ASP D T e 3 TS+ 0 0 -94.5 10.1 -176.7 84.5 121.8 70.4 0 0.0 228 -1.8 0 0.0 0 0.0 8 33
212 A 596 LYS K E E FPQ< T - 209 227 -123.1 156.5 171.7 -153.3 56.1 141.8 209 -2.7 209 -2.4 0 0.0 0 0.0 10 46
213 A 597 VAL V E E FPQ - 208 226 -115.9 140.3 -178.2 -162.6 18.8 157.0 226 -2.8 226 -2.0 0 0.0 0 0.0 12 62
214 A 598 PHE F E E FPQ + 207 225 -122.7 143.5 178.5 175.4 11.8 169.6 207 -3.0 207 -2.3 0 0.0 0 0.0 11 74
215 A 599 TRP W E E FPQ - 206 224 -150.6 158.1 176.6 -132.1 25.7 170.6 224 -2.1 224 -2.3 0 0.0 0 0.0 13 75
216 A 600 THR T E E F*Q - 0 223 -101.8 154.5 177.6 -159.6 18.0 141.2 205 -2.3 204 -2.3 0 0.0 0 0.0 16 70
217 A 601 ASP D E E >FPQ >T - 203 222 -136.6 123.0 -177.7 -159.7 9.7 170.6 222 -2.2 222 -1.5 0 0.0 221 -0.8 17 59
218 A 602 ILE I T e 4 5TS+ 0 0 -77.7 -19.4 177.0 47.9 93.6 44.5 202 -2.3 0 0.0 0 0.0 0 0.0 12 44
219 A 603 ILE I T T 4 5TS+ 0 0 -83.3 -42.9 178.6 38.8 118.7 27.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
220 A 604 ASN N T T 4 5TS- 0 0 -73.8 -24.5 -173.3 -140.5 99.1 53.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
221 A 605 GLU E T T < 5T + 0 0 56.3 52.4 -176.5 103.2 64.8 23.5 217 -0.8 241 -2.2 0 0.0 0 0.0 13 38
222 A 606 ALA A E E FQ FQ T - 212 0 -67.8 133.2 -176.1 -144.0 41.4 123.8 232 -2.7 231 -1.4 0 0.0 0 0.0 12 36
228 A 612 ARG R T e 4 TS+ 0 0 -83.0 1.7 176.2 44.8 92.8 62.4 211 -1.8 0 0.0 0 0.0 0 0.0 10 43
229 A 613 LEU L T T 4 TS+ 0 0 -105.7 -53.0 -176.5 12.2 130.8 35.6 0 0.0 0 0.0 0 0.0 0 0.0 6 37
230 A 614 THR T T T 4 TS- 0 0 -108.6 -2.6 176.9 -124.6 93.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
231 A 615 GLY G t < T + 0 0 72.8 19.9 -179.1 137.8 61.9 47.1 227 -1.4 0 0.0 0 0.0 0 0.0 10 40
232 A 616 SER S + 0 0 -93.7 173.3 176.7 41.0 39.2 111.8 0 0.0 227 -2.7 0 0.0 0 0.0 7 28
233 A 617 ASP D - 0 0 57.6 61.6 179.2 -160.3 69.5 17.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
234 A 618 VAL V - 0 0 -74.4 128.6 178.2 -172.6 9.4 122.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
235 A 619 ASN N E E FR - 225 0 -123.1 142.2 178.8 -129.5 22.2 161.7 225 -2.2 225 -1.9 0 0.0 237 -0.6 7 32
236 A 620 LEU L E E FR + 224 0 -93.5 115.1 -175.7 174.0 26.7 145.1 0 0.0 0 0.0 0 0.0 0 0.0 9 39
237 A 621 LEU L E E F* - 0 0 -97.8 -18.1 178.9 -1.6 65.3 49.4 223 -2.6 0 0.0 235 -0.6 0 0.0 11 44
238 A 622 ALA A E E FR + 223 0 -170.6 148.0 -177.5 175.5 63.0 160.0 223 -1.2 223 -2.3 0 0.0 0 0.0 9 47
239 A 623 GLU E + 0 0 -150.1 176.9 -176.6 58.0 55.1 152.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
240 A 624 ASN N S S S+ 0 0 60.5 39.2 -176.8 164.4 77.8 27.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25
241 A 625 LEU L - 0 0 -88.5 164.2 177.7 -123.0 42.6 115.8 221 -2.2 243 -0.7 0 0.0 0 0.0 9 42
242 A 626 LEU L S S S- 0 0 -110.1 99.7 178.7 -43.4 78.4 149.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
243 A 627 SER S - 0 0 45.6 65.6 178.6 -160.3 64.0 22.4 241 -0.7 245 -2.2 0 0.0 0 0.0 9 43
244 A 628 PRO P + 0 0 -73.0 75.3 -171.5 156.3 29.5 116.5 0 0.0 0 0.0 0 0.0 0 0.0 17 60
245 A 629 GLU E + 0 0 -82.8 -19.3 -177.9 26.4 55.5 44.5 243 -2.2 0 0.0 0 0.0 0 0.0 14 67
246 A 630 ASP D e + 0 0 -149.5 147.4 -178.7 172.6 58.1 176.0 0 0.0 7 -2.6 0 0.0 0 0.0 14 73
247 A 631 MET M E E AA - 6 0 -153.6 143.9 175.5 -168.8 6.9 171.9 0 0.0 0 0.0 0 0.0 0 0.0 16 77
248 A 632 VAL V E E AA - 5 0 -133.4 156.4 176.6 -121.0 26.1 162.1 5 -2.5 5 -2.6 0 0.0 250 -0.6 11 71
249 A 633 LEU L E E AA - 4 0 -92.7 123.2 179.7 -152.5 27.0 147.5 0 0.0 251 -0.8 0 0.0 0 0.0 12 63
250 A 634 PHE F E E AA + 3 0 -105.1 108.1 -179.4 113.6 45.3 148.7 3 -3.0 3 -2.0 248 -0.6 0 0.0 11 51
251 A 635 HIS H S g > TS- 0 0 -168.2 143.2 -180.0 -114.1 71.2 149.7 249 -0.8 254 -1.9 0 0.0 0 0.0 10 38
252 A 636 ASN N G G > TS+ 0 0 -57.0 -29.8 177.7 68.2 109.1 39.8 0 0.0 255 -1.6 0 0.0 0 0.0 8 33
253 A 637 LEU L G G 3 TS+ 0 0 -61.9 -25.0 180.0 64.0 89.9 42.0 0 0.0 0 0.0 0 0.0 0 0.0 5 36
254 A 638 THR T G G < TS+ 0 0 -70.7 -25.4 -177.1 46.0 105.5 44.3 251 -1.9 0 0.0 0 0.0 0 0.0 9 52
255 A 639 GLN Q S g < TS- 0 0 -122.6 80.2 177.9 -164.8 78.9 131.9 252 -1.6 0 0.0 0 0.0 0 0.0 9 46
256 A 640 PRO P - 0 0 -59.3 152.3 176.2 -98.8 30.2 99.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
257 A 641 ARG R + 0 0 -65.4 151.4 175.6 159.9 52.9 109.5 0 0.0 0 0.0 0 0.0 0 0.0 5 30
258 A 642 GLY G - 0 0 -164.6 174.0 -178.9 -74.2 41.9 166.9 0 0.0 0 0.0 0 0.0 0 0.0 7 34
259 A 643 VAL V - 0 0 -80.8 131.2 172.6 -141.4 29.3 130.1 0 0.0 261 -1.0 0 0.0 0 0.0 7 33
260 A 644 ASN N t > T - 0 0 -86.5 105.5 -172.8 -166.2 19.1 144.8 0 0.0 263 -0.9 0 0.0 0 0.0 8 41
261 A 645 TRP W T T 3 TS+ 0 0 -70.6 -24.6 -178.8 54.1 81.5 40.9 259 -1.0 0 0.0 0 0.0 0 0.0 10 41
262 A 646 CYS C T T 3 TS+ 0 0 -78.7 -24.6 -175.7 28.6 121.1 48.0 0 0.0 270 -2.1 0 0.0 0 0.0 13 40
263 A 647 GLU E S t < TS+ 0 0 -127.2 24.7 -178.6 117.1 81.6 85.3 260 -0.9 0 0.0 0 0.0 0 0.0 10 32
264 A 648 ARG R S S S+ 0 0 -61.6 -38.4 179.2 24.9 83.1 37.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
265 A 649 THR T S S S- 0 0 -115.5 -176.4 177.6 -87.0 101.3 132.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
266 A 650 THR T S S S+ 0 0 -68.5 -13.9 176.2 104.2 97.0 49.6 0 0.0 268 -0.6 0 0.0 0 0.0 5 13
267 A 651 LEU L S g > TS- 0 0 -69.8 116.6 -176.6 -124.2 79.9 130.5 0 0.0 270 -0.8 0 0.0 0 0.0 8 19
268 A 652 SER S G G > TS- 0 0 -70.2 131.7 169.4 -10.7 75.0 113.5 266 -0.6 271 -2.3 0 0.0 0 0.0 9 24
269 A 653 ASN N G G > TS- 0 0 56.2 39.1 179.0 -65.9 119.1 36.9 0 0.0 272 -2.2 0 0.0 0 0.0 9 38
270 A 654 GLY G G G < TS- 0 0 64.8 8.1 -171.1 -72.3 86.5 51.9 262 -2.1 0 0.0 267 -0.8 0 0.0 11 34
271 A 655 GLY G G G < TS+ 0 0 80.2 6.6 -179.1 147.1 95.9 59.0 268 -2.3 0 0.0 0 0.0 0 0.0 7 31
272 A 656 CYS C g < T - 0 0 -77.8 144.0 179.8 -141.7 50.1 120.3 269 -2.2 0 0.0 0 0.0 0 0.0 12 40
273 A 657 GLN Q S S S- 0 0 -71.7 -39.3 -177.2 -0.5 88.8 28.2 304 -2.3 0 0.0 0 0.0 0 0.0 9 35
274 A 658 TYR Y S S S+ 0 0 -115.4 -90.4 177.8 7.5 125.9 53.8 0 0.0 0 0.0 0 0.0 0 0.0 11 43
275 A 659 LEU L E E GS - 292 0 -103.5 149.0 175.5 -161.7 48.3 136.3 292 -2.2 292 -2.9 0 0.0 0 0.0 11 56
276 A 660 CYS C E E GS - 291 0 -120.5 117.2 -177.1 -178.8 22.0 174.8 0 0.0 0 0.0 0 0.0 0 0.0 12 59
277 A 661 LEU L E E GS - 290 0 -125.2 143.1 177.3 -106.8 30.0 173.3 290 -2.7 290 -2.4 0 0.0 0 0.0 11 66
278 A 662 PRO P E E GS - 289 0 -63.9 144.2 -178.5 -138.3 35.4 104.7 0 0.0 0 0.0 0 0.0 0 0.0 14 57
279 A 663 ALA A e - 0 0 -108.0 153.1 -175.4 -92.3 24.1 141.5 288 -2.0 0 0.0 0 0.0 0 0.0 15 50
280 A 664 PRO P - 0 0 -68.4 138.7 179.1 -131.9 29.9 111.2 0 0.0 282 -0.9 0 0.0 0 0.0 13 42
281 A 665 GLN Q + 0 0 -95.9 106.0 -175.5 146.5 46.0 142.6 123 -2.8 0 0.0 0 0.0 0 0.0 11 37
282 A 666 ILE I - 0 0 -109.0 -38.2 176.6 -6.2 68.7 38.7 280 -0.9 0 0.0 0 0.0 0 0.0 5 30
283 A 667 ASN N S t > TS- 0 0 -147.1 178.8 -178.8 -82.0 85.8 154.7 0 0.0 286 -2.0 0 0.0 0 0.0 5 16
284 A 668 PRO P T T 3 TS+ 0 0 -60.2 -23.1 -179.6 53.4 124.6 41.3 0 0.0 0 0.0 0 0.0 0 0.0 5 13
285 A 669 HIS H T T 3 TS+ 0 0 -92.3 -0.9 -179.9 127.8 76.9 61.8 0 0.0 0 0.0 0 0.0 0 0.0 4 13
286 A 670 SER S t < T - 0 0 -58.9 133.2 173.7 -117.0 64.7 109.8 283 -2.0 0 0.0 0 0.0 0 0.0 9 23
287 A 671 PRO P - 0 0 -62.6 152.4 -175.2 -136.7 15.4 105.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
288 A 672 LYS K S e S+ 0 0 -90.2 -21.4 179.1 0.2 77.8 45.7 0 0.0 279 -2.0 0 0.0 0 0.0 10 44
289 A 673 PHE F E E GS - 278 0 -156.2 165.1 176.3 -154.9 58.9 167.4 0 0.0 0 0.0 0 0.0 0 0.0 12 54
290 A 674 THR T E E GS - 277 0 -139.7 159.9 175.1 -110.8 26.0 161.6 277 -2.4 277 -2.7 0 0.0 0 0.0 11 51
291 A 675 CYS C E E GS - 276 0 -89.6 145.1 -178.9 -167.4 34.7 133.7 303 -0.5 0 0.0 0 0.0 0 0.0 15 51
292 A 676 ALA A E E GS - 275 0 -135.8 160.1 -174.2 -141.8 6.1 157.9 275 -2.9 275 -2.2 0 0.0 0 0.0 13 50
293 A 677 CYS C - 0 0 -121.7 164.4 177.4 -84.2 29.2 139.3 0 0.0 0 0.0 0 0.0 0 0.0 13 44
294 A 678 PRO P t > T - 0 0 -60.0 155.2 176.5 -75.8 65.3 100.2 0 0.0 297 -2.3 0 0.0 0 0.0 11 36
295 A 679 ASP D T T 3 TS+ 0 0 -51.8 135.0 179.3 22.6 121.7 105.3 0 0.0 0 0.0 0 0.0 0 0.0 6 34
296 A 680 GLY G T T 3 TS+ 0 0 90.8 -15.3 -179.4 99.5 105.5 73.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
297 A 681 MET M t < T - 0 0 -104.7 158.5 -179.3 -136.7 63.4 134.0 294 -2.3 0 0.0 0 0.0 0 0.0 9 25
298 A 682 LEU L E E HT - 307 0 -115.4 150.6 176.8 -109.1 21.9 151.8 307 -2.6 307 -2.6 0 0.0 0 0.0 9 28
299 A 683 LEU L E E HT - 306 0 -77.6 127.4 -177.5 -124.0 41.6 128.7 0 0.0 0 0.0 0 0.0 0 0.0 12 31
300 A 684 ALA A e > T - 0 0 -68.8 166.5 178.9 -103.3 22.9 105.0 305 -3.0 303 -2.1 0 0.0 0 0.0 9 24
301 A 685 ARG R T T 3 TS+ 0 0 -64.6 -19.5 176.0 70.1 118.7 41.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
302 A 686 ASP D T T 3 TS- 0 0 -72.9 -7.0 176.9 -130.4 105.8 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
303 A 687 MET M S t < TS+ 0 0 71.1 12.4 -175.7 61.6 92.2 58.0 300 -2.1 291 -0.5 0 0.0 0 0.0 8 29
304 A 688 ARG R S S S+ 0 0 -133.6 -38.2 -177.9 72.5 84.6 52.9 0 0.0 273 -2.3 0 0.0 0 0.0 12 32
305 A 689 SER S e - 0 0 -88.4 163.2 -179.8 -130.4 66.5 115.1 0 0.0 300 -3.0 0 0.0 0 0.0 13 28
306 A 690 CYS C E E HT - 299 0 -117.2 134.9 -178.4 -173.2 22.2 160.9 0 0.0 0 0.0 0 0.0 0 0.0 13 27
307 A 691 LEU L E E HT 298 0 -127.6 151.9 178.4 999.9 999.9 154.9 298 -2.6 298 -2.6 0 0.0 0 0.0 7 21
308 A 692 THR T 0 0 -84.0 999.9 999.9 999.9 999.9 106.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
1ijqA.pdb
1IJQ LIPID TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE BSSEEEEETTS EEEE S SSEEEEEEETTTTEEEEEETTTTEEEEEE EEEE SS S EEEEETTTTEEEEEETTTTEEEEEETTS Kabs/Sand
chirality ---+-+-++---+--+-++-+--+-++--+++++---++-+--+---++-+----- -+++++++--++-+---++-+--+---++-+-+-+--+-+ chirality
bends SSS SSS SS S SS SSS SSS S SS S SSS SSS SSS bends
turns TTTT TTTTTT TTTTTT TTTTTT TTTTTT TTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 BBBBB CCC A EEEEEE FFF HHHHHH IIIII bridge-2
bridge-1 AAAA A BBBBB CC*C D*DDDDD DDDDDD EEEEEE FF*F GGGGG GGGGG HHHHHH bridge-1
sheets AAAAA AAAAA AAAA BBBBBBB BBBBBB BBBBBB BBBB CCCCC CCCCCC CCCCCC sheets
4-turns >444< >444< >444< >444< 4-turns
summary eEEEEEeBSeEEEEEeTt EEEE S SeEEEEEEETTTeEEEEEEeTTTEEEEEEe EEEE SS S EEEEETTTeEEEEEETTTeEEEEEEeTt summary
sequence IAYLFFTNRHEVRKMTLDRSEYTSLIPNLRNVVALDTEVASNRIYWSDLSQRMICSTQLYDTVISRDIQAPDGLAVDWIHSNIYWTDSVLGTVSVADTKG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSEEEEEE TT EEEEEEETTTTEEEEEE SSS EEEEEETTS EEEEE SS S EEEEEEETTTTEEEEEETTTTEEEEEETTS S EEEEE TTTT Kabs/Sand
chirality ++---+-+-++--++----+++-+--+---+-+-+---+--+-++++--+++++++-++-----++-+--+---++-+-+-+--+-++------+-++++ chirality
bends SS SS SSSS SSS SSS S SS S SSS SSS SSS S SSSS bends
turns TTTT TTTTTT TTTT TTTTTT TTTTTT TTTT TTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33 3-turns
bridge-2 KKKKKK LLLL NNNNNN OOOO bridge-2
bridge-1 III*II J**JJJJ JJJJ*J KKKKKK LLL*L M**MMMM MMMM*M NNNNNN OO*OO bridge-1
sheets CCCCCC DDDDDDD DDDDDD DDDDDD DDDDD EEEEEEE EEEEEE EEEEEE EEEEE sheets
4-turns >444< >444< >444< >444< 4-turns
summary SeEEEEEEeTTteEEEEEEETTTeEEEEEEeSSS EEEEEEeTt eEEEEE SS SeEEEEEEETTTeEEEEEEeTTeEEEEEEeTt S EEEEEeTTTT summary
sequence VKRKTLFRENGSKPRAIVVDPVHGFMYWTDWGTPAKIKKGGLNGVDIYSLVTENIQWPNGITLDLLSGRLYWVDSKLHSISSIDVNGGNRKTILEDEKRL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SSEEEEEEETTEEEEEETTTTEEEEEETTT EEEE S S EEEESGGGS TTSSSSSGGGG SSEEEE STT SEEEE TT EE Kabs/Sand
chirality --++---+--+--+---++-+---+--++-++---+-+++---+++---+-+++--+---++++-+----+--+------+--++--+------++---- chirality
bends SS SS SSS S SSS S S SSSSS SSSSSSSSSSS SS SSS S SS bends
turns T TTTT TTTTTT TTTTT TTTTT TTTT TTTTTT TTTT TTTT T turns
5-turns >5555< 5-turns
3-turns < >33< >>3<< >33< >>><<< >33< >33< > 3-turns
bridge-2 QQQQQQ RRR bridge-2
bridge-1 P**PPPP PPPP*P QQQQQQ RR*R AAAA SSSS SSSS TT bridge-1
sheets FFFFFFF FFFFFF FFFFFF FFFF AAAA GGGG GGGG HH sheets
4-turns >444< >444< 4-turns
summary teEEEEEEETeEEEEEEeTTTEEEEEEeTTt EEEE S S eEEEEgGGGg tTTtSSSgGGGGgSSEEEEe tTTt eEEEE tTTtEEe summary
sequence AHPFSLAVFEDKVFWTDIINEAIFSANRLTGSDVNLLAENLLSPEDMVLFHNLTQPRGVNWCERTTLSNGGCQYLCLPAPQINPHSPKFTCACPDGMLLA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTSS EE Kabs/Sand
chirality +-++-- chirality
bends SSSS bends
turns TTT turns
5-turns 5-turns
3-turns 33< 3-turns
bridge-2 bridge-2
bridge-1 TT bridge-1
sheets HH sheets
4-turns 4-turns
summary TTtSeEE summary
sequence RDMRSCLT sequence
Messages
chain break between 59(A 435 ) and 60(A 444 )