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We visualize the H-bond donor interactions of the NPA motif¡¯s asparagine residues to passing water molecules; observe a polarized water-water H-bond configuration within the channel; assign the tautomeric states of the SF histidine and arginine residues; and observe four SF water positions too closely spaced to be simultaneously occupied. ÓÖÊdz¬³¤µÄ¾ä×Ó£¬×¨Òµ´Ê»ãÒ»³¤´®£¬µ«Ö»ÓÐÕâ¸öºì×ÖµÄassignÐèÒª·Òë¡£ assign SFÖÐ×é°±ËáºÍ¾«°±Ëá²Ð»ùµÄ»¥±äÒ칹״̬£»Õâ¸öС·Ö¾äÀïassignÓ¦¸ÃÔõô·Ò룿×ÖµäÀïassignµÄ½âÊÍÊÇ·ÖÅ䣬ָÅÉ£¬¸³Öµ£¬¸úÕâÀïµÄÒâ˼¶¼²»´îµ÷£¬Ó¦¸Ã·Òë³ÉʲôºÃÄØ£¿ O(¡É_¡É)Oлл³æÓÑÃÇ |
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