1j3k A 2.1 BS01 WRA A 1 I14 C15 D54 M55 F58 N108 P113 I14 C15 D54 M55 F58 N98 P103 L46 D54 L46 D54 1.5.1.3,2.1.1.45 0004146,0046654,0050661 Ki=0.037nM IC50=0.570000nM, Ki=0.5nM P13922 12704428 609 MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNN 1j3k A 2.1 BS02 NDP A 1 C15 A16 L40 G44 V45 L46 G105 R106 T107 N108 L127 S128 R129 T130 N144 L164 G165 G166 S167 V168 V169 E172 C15 A16 L40 G44 V45 L46 G95 R96 T97 N98 L117 S118 R119 T120 N134 L154 G155 G156 S157 V158 V159 E162 L46 D54 L46 D54 1.5.1.3,2.1.1.45 0004146,0046654,0050661 P13922 12704428 610 MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNN 1j3k B 2.1 BS01 WRA B 1 I14 C15 D54 M55 F58 N108 P113 I14 C15 D54 M55 F58 N97 P102 L46 D54 L46 D54 1.5.1.3,2.1.1.45 0004146,0046654,0050661 Ki=0.037nM IC50=0.570000nM, Ki=0.5nM P13922 12704428 709 MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLPNSKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNK 1j3k B 2.1 BS02 NDP B 1 C15 A16 L40 G44 V45 L46 G105 R106 T107 N108 L127 S128 R129 T130 N144 L164 G166 S167 V168 V169 E172 C15 A16 L40 G44 V45 L46 G94 R95 T96 N97 L116 S117 R118 T119 N133 L153 G155 S156 V157 V158 E161 L46 D54 L46 D54 1.5.1.3,2.1.1.45 0004146,0046654,0050661 P13922 12704428 710 MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLPNSKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNK 1j3k C 2.1 BS01 UMP C 1 R345 C490 H491 Q509 R510 S511 D513 N521 H551 Y553 R63 C208 H209 Q227 R228 S229 D231 N239 H269 Y271 E382 W404 Y430 C490 R510 D513 E100 W122 Y148 C208 R228 D231 1.5.1.3,2.1.1.45 0004799,0006231,0016741 P13922 12704428 611 DDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA 1j3k C 2.1 BS02 UMP D 1 R470 R471 R188 R189 E382 W404 Y430 C490 R510 D513 E100 W122 Y148 C208 R228 D231 1.5.1.3,2.1.1.45 0004799,0006231,0016741 P13922 12704428 711 DDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA 1j3k D 2.1 BS01 UMP C 1 R470 R471 R188 R189 E382 W404 Y430 C490 R510 D513 E100 W122 Y148 C208 R228 D231 1.5.1.3,2.1.1.45 0004799,0006231,0016741 P13922 12704428 611 DDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA 1j3k D 2.1 BS02 UMP D 1 R345 C490 H491 Q509 R510 S511 D513 N521 H551 Y553 R63 C208 H209 Q227 R228 S229 D231 N239 H269 Y271 E382 W404 Y430 C490 R510 D513 E100 W122 Y148 C208 R228 D231 1.5.1.3,2.1.1.45 0004799,0006231,0016741 P13922 12704428 711 DDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA