*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.00 A TRANSFORM -0.4371 0.6790 0.5898 0.8523 0.5221 0.0306 0.2872 -0.5161 0.8070 92.420 -17.527 79.042 L 98 SER A 32 SER~? L 123 HIS B 28 HIS~? L 172 ASP B 25 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.01 A TRANSFORM -0.8635 -0.0624 0.5004 0.2513 0.8071 0.5342 0.4372 -0.5871 0.6813 145.566 -32.481 82.232 M 98 SER A 32 SER~? M 123 HIS B 28 HIS~? M 172 ASP B 25 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.01 A TRANSFORM -0.8962 -0.2024 0.3948 0.0918 0.7860 0.6113 0.4340 -0.5841 0.6859 70.685 -2.232 31.595 B 98 SER A 32 SER~? B 123 HIS B 28 HIS~? B 172 ASP B 25 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.01 A TRANSFORM 0.8564 0.4345 -0.2788 0.3453 -0.8835 -0.3165 0.3838 -0.1748 0.9067 98.256 79.533 54.837 J 98 SER A 32 SER~? J 123 HIS B 28 HIS~? J 172 ASP B 25 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.01 A TRANSFORM -0.5729 0.5692 0.5897 0.7635 0.6322 0.1315 0.2980 -0.5256 0.7968 15.402 3.401 29.440 A 98 SER A 32 SER~? A 123 HIS B 28 HIS~? A 172 ASP B 25 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.01 A TRANSFORM -0.5729 0.5692 0.5897 0.7635 0.6322 0.1315 0.2980 -0.5256 0.7968 15.402 3.401 29.440 A 98 SER A 32 SER~? A 123 HIS B 28 HIS~? A 172 ASP B 25 ASP~? ULMNm 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 3 3 RMSD = 1.01 A TRANSFORM 0.8804 0.3174 -0.3523 -0.3366 -0.1049 -0.9358 0.3340 -0.9425 -0.0145 76.841 96.004 85.491 32 ASP B 25 ASP~? 64 HIS B 28 HIS~? 155 ASN A 21 ASN~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.02 A TRANSFORM 0.3490 0.8991 0.2641 0.9084 -0.2554 -0.3309 0.2300 -0.3554 0.9060 70.380 32.195 67.833 K 98 SER A 32 SER~? K 123 HIS B 28 HIS~? K 172 ASP B 25 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.02 A TRANSFORM 0.7384 -0.3636 -0.5680 -0.3766 -0.9210 0.1000 0.5594 -0.1401 0.8169 152.312 87.675 51.186 I 98 SER A 32 SER~? I 123 HIS B 28 HIS~? I 172 ASP B 25 ASP~? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.02 A TRANSFORM 0.0717 -0.8936 -0.4431 -0.7507 -0.3409 0.5660 0.6568 -0.2920 0.6952 193.995 52.709 60.021 H 98 SER A 32 SER~? H 123 HIS B 28 HIS~? H 172 ASP B 25 ASP~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.03 A TRANSFORM -0.3484 -0.9174 -0.1925 -0.4127 0.3345 -0.8472 -0.8416 0.2157 0.4952 40.684 50.217 0.683 B 40 HIS B 28 HIS~? B 58 GLU A 24 GLU.? B 92 HIS A 17 HIS~? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 3 3 RMSD = 1.03 A TRANSFORM 0.1359 0.9430 -0.3038 0.9815 -0.1700 -0.0886 0.1352 0.2861 0.9486 -14.734 41.891 -2.782 A 32 ASP B 25 ASP~? A 64 HIS B 28 HIS~? A 155 ASN A 21 ASN~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.03 A TRANSFORM -0.6434 -0.7637 0.0532 -0.4641 0.4443 0.7663 0.6088 -0.4683 0.6403 190.326 -1.472 72.914 N 98 SER A 32 SER~? N 123 HIS B 28 HIS~? N 172 ASP B 25 ASP~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.03 A TRANSFORM 0.7917 0.5815 -0.1871 0.4982 -0.7919 -0.3531 0.3536 -0.1864 0.9167 2.772 99.501 5.528 F 98 SER A 32 SER~? F 123 HIS B 28 HIS~? F 172 ASP B 25 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.03 A TRANSFORM -0.5463 -0.8328 -0.0893 -0.5674 0.2895 0.7709 0.6162 -0.4718 0.6307 109.322 36.150 22.872 C 98 SER A 32 SER~? C 123 HIS B 28 HIS~? C 172 ASP B 25 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.04 A TRANSFORM 0.7878 -0.2070 -0.5802 -0.2497 -0.9683 0.0064 0.5631 -0.1398 0.8145 56.090 117.135 1.320 E 98 SER A 32 SER~? E 123 HIS B 28 HIS~? E 172 ASP B 25 ASP~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.05 A TRANSFORM 0.2232 -0.8166 -0.5323 -0.7219 -0.5054 0.4727 0.6550 -0.2788 0.7023 102.651 90.629 9.133 D 98 SER A 32 SER~? D 123 HIS B 28 HIS~? D 172 ASP B 25 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.06 A TRANSFORM 0.1724 0.9286 0.3285 0.9600 -0.0838 -0.2671 0.2205 -0.3614 0.9060 -14.917 47.642 18.498 G 98 SER A 32 SER~? G 123 HIS B 28 HIS~? G 172 ASP B 25 ASP~? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.12 A TRANSFORM -0.5369 0.0236 -0.8433 0.2838 -0.9363 -0.2068 0.7945 0.3504 -0.4960 35.074 56.780 2.636 A 40 HIS B 28 HIS~? A 58 GLU A 24 GLU.? A 92 HIS A 17 HIS~? ULMNm 3 1hwt_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.19 A TRANSFORM 0.1095 -0.4624 0.8799 -0.8445 -0.5102 -0.1631 -0.5243 0.7251 0.4464 -9.838 53.800 11.442 C 70 ARG B 55 ARG~? C 71 LYS B 54 LYS~? C 72 VAL B 51 VAL~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 RMSD = 1.22 A TRANSFORM -0.8224 -0.3528 -0.4463 0.3260 -0.9352 0.1385 0.4662 0.0315 -0.8841 46.690 27.547 69.509 B 325 ASP B 25 ASP~? B 354 GLU B 24 GLU.? B 421 ASP A 25 ASP~? ULMNm 3 1bwp_c01 PLATELET-ACTIVATING FACTOR ACETYLHYDuser 2 3 RMSD = 1.28 A TRANSFORM -0.4909 -0.8639 0.1129 0.7349 -0.4802 -0.4789 -0.4679 0.1521 -0.8706 77.547 19.874 48.194 104 ASN A 21 ASN~? 192 ASP B 25 ASP~? 195 HIS B 28 HIS~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.29 A TRANSFORM 0.1197 0.8238 0.5542 0.0218 0.5559 -0.8310 0.9926 -0.1116 -0.0485 -26.422 43.472 20.953 B 40 HIS A 28 HIS~? B 58 GLU B 24 GLU.? B 92 HIS B 17 HIS~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 1.32 A TRANSFORM 0.5292 0.0362 -0.8477 -0.6137 -0.6736 -0.4119 0.5859 -0.7383 0.3342 21.684 33.013 13.476 A 50 HIS B 28 HIS~? A 96 GLU A 24 GLU.? A 137 HIS A 17 HIS~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.35 A TRANSFORM 0.6398 0.1292 -0.7576 0.5776 -0.7311 0.3631 0.5070 0.6700 0.5423 66.240 49.216 12.491 10 ASN A 31 ASN~? 20 HIS A 28 HIS~? 93 ASP A 25 ASP~? ULMNm 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.36 A TRANSFORM -0.8824 -0.3927 -0.2593 -0.2900 0.8877 -0.3577 -0.3706 0.2405 0.8971 20.488 32.155 -3.779 A 74 ASN A 21 ASN~? A 192 ASP B 25 ASP~? A 195 HIS B 28 HIS~? ULMNm 3 1pp4_c03 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.41 A TRANSFORM 0.2998 -0.6896 -0.6593 -0.2967 -0.7242 0.6225 0.9067 -0.0090 0.4217 42.102 59.606 -5.669 B 74 ASN A 21 ASN~? B 192 ASP B 25 ASP~? B 195 HIS B 28 HIS~? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 1 3 RMSD = 1.44 A TRANSFORM -0.7528 -0.5533 -0.3566 -0.2772 -0.2248 0.9341 0.5970 -0.8021 -0.0159 27.196 18.542 51.357 A 32 ASP A 25 ASP~? A 64 HIS A 28 HIS~? A 155 ASN B 21 ASN~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 2 3 RMSD = 1.45 A TRANSFORM -0.7818 -0.5621 -0.2700 -0.2104 -0.1699 0.9627 0.5870 -0.8095 -0.0146 70.010 18.327 66.348 10 ASN A 31 ASN~? 20 HIS A 28 HIS~? 93 ASP B 25 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 1.46 A TRANSFORM -0.4757 -0.8040 0.3568 0.1318 -0.4662 -0.8748 -0.8697 0.3691 -0.3277 45.296 89.744 59.895 A 325 ASP A 25 ASP~? A 354 GLU A 24 GLU.? A 421 ASP B 25 ASP~? ULMNm 3 1cns_c00 CHITINASE user 2 3 RMSD = 1.46 A TRANSFORM 0.3205 0.8755 -0.3617 -0.7228 0.4729 0.5039 -0.6122 -0.1000 -0.7843 -42.277 -15.158 96.394 A 67 GLU A 24 GLU.? A 89 GLU B 24 GLU.? A 120 SER B 32 SER~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 4 3 RMSD = 1.47 A TRANSFORM 0.2334 0.2475 -0.9404 0.7715 -0.6357 0.0242 0.5918 0.7311 0.3393 67.113 55.471 16.405 10 ASN B 31 ASN~? 20 HIS A 28 HIS~? 93 ASP A 25 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 RMSD = 1.49 A TRANSFORM 0.4227 0.8151 -0.3961 0.3461 0.2588 0.9018 -0.8376 0.5183 0.1727 12.466 -25.089 30.200 B 325 ASP A 25 ASP~? B 354 GLU A 24 GLU.? B 421 ASP B 25 ASP~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 RMSD = 1.49 A TRANSFORM -0.0645 0.0546 0.9964 0.5240 0.8516 -0.0128 0.8493 -0.5213 0.0835 19.182 9.722 56.194 16 ALA A 29 ALA~? 19 HIS B 28 HIS~? 22 HIS A 28 HIS~?