// MATCH HBONDING of 1seiA alignment of final sheet: // R163-E204 I165-A202 F167-L200 // L188-L203 E190-Y201 D192-A199 T194-R197 Constraint 1292 1642 2.0 2.7 3.2 // N R163 O E204 Constraint 1301 1635 2.0 2.7 3.2 // O R163 N E204 Constraint 1314 1625 2.0 2.7 3.2 // N I165 O A202 Constraint 1320 1622 2.0 2.7 3.2 // O I165 N A202 Constraint 1330 1608 2.0 2.7 3.2 // N F167 O L200 Constraint 1339 1602 2.0 2.7 3.2 // O F167 N L200 Constraint 1506 1633 2.0 2.7 3.2 // N L188 O L203 Constraint 1512 1627 2.0 2.7 3.2 // O L188 N L203 Constraint 1518 1620 2.0 2.7 3.2 // N E190 O Y201 Constraint 1525 1610 2.0 2.7 3.2 // O E190 N Y201 Constraint 1537 1600 2.0 2.7 3.2 // N D192 O A199 Constraint 1543 1597 2.0 2.7 3.2 // O D192 N A199 Constraint 1552 1587 2.0 2.7 3.2 // N T194 O R197 Constraint 1558 1578 2.0 2.7 3.2 // O T194 N R197 // try to keep second sheet connected to first sheet, // skipping the strand whose alignment we're having trouble with Constraint 881 1324 8 10.2 12 //CBs W110 M166 Constraint 900 1305 8 10.2 12 //CBs A112 R164 //CB constraints to keep the central sheet intact Constraint 330 775 3 5.12 7 // CBs Y43 S97 Constraint 341 770 3 5.12 7 // CAs G44 G96 Constraint 346 763 3 5.12 7 // CBs L45 I95 Constraint 354 755 3 5.12 7 // CBs R46 L94 Constraint 365 748 3 5.12 7 // CBs V47 P93 // Attach Y43-V47 antiparallel to P93-W98 Constraint 340 771 2.0 2.7 3.2 // N G44 O G96 Constraint 342 769 2.0 2.7 3.2 // O G44 N G96 Constraint 352 759 2.0 2.7 3.2 // N R46 O L94 Constraint 361 753 2.0 2.7 3.2 // O R46 N L94 // lengthening the sheet interaction with a possible bulge // Loosened constraints on L92 and P93, since P93 will have trouble H-bonding. Constraint 740 861 3 5.12 9 // CBs L92 L108 Constraint 748 852 3 5.12 9 // CBs P93 E107 Constraint 755 844 3 5.12 7 // CBs L94 L106 Constraint 763 832 3 5.12 7 // CBs I95 Y105 Constraint 770 827 3 5.12 7 // CAs G96 G104 Constraint 775 816 3 5.12 7 // CBs S97 D102 bulge // adding hbonding constraints to the above strand pairs // (removed Hbond constraint on P93.N, as it makes no sense) Constraint 751 850 2 2.7 3.5 // O P93 N E107 Constraint 761 840 2 2.7 3.5 // N I95 O Y105 Constraint 767 830 2 2.7 3.5 // O I95 N Y105 // Add hbonding anti-parallel constraints Y125-L108 and D123-W110 // WARNING: may be off-register by 1. //Constraint 859 1014 2 2.7 3.5 // L108.N Y125.O //Constraint 865 1004 2 2.7 3.5 // L108.O Y125.N //Constraint 879 995 2 2.7 3.5 // W110.N D123.O //Constraint 891 990 2 2.7 3.5 // W110.O D123.N // Add CB constraints for a possible parallel strand pair to connect the two sheets Constraint 1046 1305 3 5.12 7 // CBs H130 R164 Constraint 1056 1316 3 5.12 7 // CBs A131 I165 Constraint 1061 1324 3 5.12 7 // CBs A132 M166 Constraint 1066 1332 3 5.12 7 // CBs I133 F167 // add Hbonds constraints to align strand 3 and strand 4 of first sheet Constraint 859 1014 2 2.7 3.5 // D102.N H130.O Constraint 865 1004 2 2.7 3.5 // D102.O H130.N Constraint 859 1014 2 2.7 3.5 // G104.N G128.O Constraint 865 1004 2 2.7 3.5 // G104.O G128.N