Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 1.A OG no hydrogen 3.152 N/A ASP 4.A N SER 1.A O no hydrogen 2.971 N/A LYS 5.A N TRP 2.A O no hydrogen 3.302 N/A LYS 5.A NZ GLN 54.A O no hydrogen 2.949 N/A ALA 7.A N LYS 59.A O no hydrogen 2.968 N/A LYS 8.A N HIS 56.A O no hydrogen 3.215 N/A LYS 8.A NZ SER 6.A O.A no hydrogen 3.020 N/A LYS 8.A NZ SER 6.A O.B no hydrogen 3.036 N/A GLN 10.A N CYS 79.A O no hydrogen 3.120 N/A GLN 10.A NE2 HIS 56.A ND1 no hydrogen 3.159 N/A GLN 10.A NE2 PHE 74.A O no hydrogen 3.093 N/A LYS 12.A N GLU 15.A OE2 no hydrogen 2.897 N/A GLU 15.A N LYS 12.A O no hydrogen 2.932 N/A LEU 16.A N GLU 13.A O no hydrogen 3.056 N/A GLN 23.A NE2 PHE 70.A O no hydrogen 2.961 N/A GLN 23.A NE2 PHE 110.A O no hydrogen 2.876 N/A GLY 25.A N ALA 22.A O no hydrogen 2.961 N/A TRP 31.A N THR 27.A O no hydrogen 2.975 N/A TRP 31.A NE1 SER 18.A O no hydrogen 2.915 N/A TYR 32.A N PHE 28.A O no hydrogen 2.843 N/A ASN 33.A N ASN 29.A O no hydrogen 2.861 N/A LYS 34.A N ILE 30.A O no hydrogen 3.076 N/A TRP 35.A N TRP 31.A O no hydrogen 3.013 N/A SER 36.A N TYR 32.A O no hydrogen 2.925 N/A SER 36.A OG.A TYR 32.A O no hydrogen 2.928 N/A SER 36.A OG.B ASN 33.A O no hydrogen 2.850 N/A GLN 37.A N ASN 33.A O no hydrogen 2.913 N/A GLY 38.A N LYS 34.A O no hydrogen 3.140 N/A GLY 38.A N TRP 35.A O no hydrogen 3.156 N/A PHE 39.A N SER 36.A O no hydrogen 3.189 N/A ARG 44.A NE GLY 209.A O no hydrogen 2.895 N/A ARG 44.A NH2 GLY 209.A O no hydrogen 3.516 N/A SER 47.A N ASN 190.A O no hydrogen 2.757 N/A SER 47.A OG PHE 49.A O no hydrogen 3.117 N/A PHE 49.A N SER 47.A OG no hydrogen 3.177 N/A GLN 52.A N HIS 56.A ND1 no hydrogen 3.114 N/A HIS 56.A N GLN 52.A O no hydrogen 2.756 N/A SER 57.A N PRO 53.A O no hydrogen 3.038 N/A SER 57.A OG PRO 53.A O no hydrogen 2.805 N/A GLY 58.A N HIS 89.A O no hydrogen 2.976 N/A LYS 59.A N LYS 5.A O no hydrogen 2.774 N/A THR 60.A N ASP 63.A OD2 no hydrogen 2.836 N/A THR 60.A OG1 ASP 63.A OD2 no hydrogen 3.410 N/A THR 60.A OG1 CYS 85.A O no hydrogen 3.368 N/A THR 60.A OG1 TYR 87.A O no hydrogen 2.881 N/A ARG 61.A N PRO 83.A O no hydrogen 3.075 N/A ARG 61.A NE GLU 86.A OE2 no hydrogen 3.147 N/A GLY 62.A N CYS 85.A O no hydrogen 3.227 N/A ASP 63.A N THR 60.A O no hydrogen 3.063 N/A ASN 64.A N ARG 61.A O no hydrogen 2.941 N/A ASP 65.A N GLY 62.A O no hydrogen 3.200 N/A GLN 67.A N GLY 62.A O no hydrogen 3.083 N/A GLN 67.A NE2 GLU 86.A O no hydrogen 2.918 N/A LEU 68.A N GLN 67.A OE1 no hydrogen 3.075 N/A PHE 69.A N GLN 67.A OE1 no hydrogen 2.993 N/A PHE 70.A N CYS 109.A O no hydrogen 2.787 N/A CYS 71.A N LEU 88.A O no hydrogen 2.961 N/A CYS 71.A SG GLN 23.A OE1 no hydrogen 3.983 N/A CYS 71.A SG HIS 89.A NE2 no hydrogen 3.693 N/A LEU 72.A N GLN 23.A OE1 no hydrogen 2.825 N/A ALA 75.A N CYS 71.A O no hydrogen 3.155 N/A LYS 76.A N LEU 72.A O no hydrogen 3.173 N/A LYS 76.A N PHE 73.A O no hydrogen 3.047 N/A LYS 76.A NZ GLU 186.A O no hydrogen 3.002 N/A LYS 76.A NZ GLU 186.A OE1 no hydrogen 3.237 N/A GLY 77.A N PHE 74.A O no hydrogen 2.969 N/A MET 78.A N PHE 73.A O no hydrogen 2.802 N/A CYS 79.A N GLN 10.A OE1 no hydrogen 2.913 N/A CYS 79.A SG HIS 89.A NE2 no hydrogen 3.475 N/A LYS 84.A N LEU 81.A O no hydrogen 2.997 N/A CYS 85.A N GLY 82.A O no hydrogen 3.041 N/A CYS 85.A SG TYR 87.A O no hydrogen 3.769 N/A CYS 85.A SG HIS 89.A NE2 no hydrogen 3.419 N/A LEU 88.A N PHE 69.A O no hydrogen 3.054 N/A HIS 90.A NE2 ASP 96.A OD1 no hydrogen 2.807 N/A ASP 93.A N ASP 96.A OD1 no hydrogen 3.084 N/A ASP 96.A N ASP 93.A OD2 no hydrogen 2.946 N/A ILE 97.A N ASP 93.A O no hydrogen 3.020 N/A GLY 98.A N GLU 94.A O no hydrogen 2.992 N/A LYS 99.A N GLU 95.A O no hydrogen 3.162 N/A LEU 100.A N ASP 96.A O no hydrogen 2.949 N/A ALA 101.A N ILE 97.A O no hydrogen 2.896 N/A LEU 102.A N GLY 98.A O no hydrogen 3.335 N/A LEU 102.A N LYS 99.A O no hydrogen 3.200 N/A ARG 103.A N LYS 99.A O no hydrogen 3.222 N/A ARG 103.A N LEU 100.A O no hydrogen 3.003 N/A ARG 103.A NH1 ARG 103.A O no hydrogen 3.031 N/A THR 104.A N LEU 100.A O no hydrogen 2.924 N/A VAL 106.A N THR 104.A OG1 no hydrogen 3.029 N/A LEU 107.A N THR 104.A OG1 no hydrogen 3.084 N/A ASP 108.A N ARG 112.A O no hydrogen 2.689 N/A CYS 109.A N GLU 182.A OE1 no hydrogen 2.947 N/A CYS 109.A SG ALA 179.A O no hydrogen 3.748 N/A PHE 110.A N ASP 108.A OD2 no hydrogen 2.846 N/A GLY 111.A N ASP 108.A O no hydrogen 2.992 N/A ARG 112.A N ASP 108.A OD2 no hydrogen 2.937 N/A ARG 112.A NE ASP 108.A OD1 no hydrogen 2.959 N/A ARG 112.A NH1 GLU 186.A OE2 no hydrogen 3.262 N/A ARG 112.A NH2 ASP 108.A OD1 no hydrogen 3.082 N/A ARG 112.A NH2 GLU 186.A OE2 no hydrogen 2.934 N/A LYS 114.A N VAL 106.A O no hydrogen 2.890 N/A LYS 114.A NZ GLU 182.A OE2 no hydrogen 2.717 N/A ASP 117.A N LYS 114.A O no hydrogen 3.044 N/A TYR 118.A N PHE 115.A O no hydrogen 3.289 N/A ASN 123.A ND2 ALA 215.A O no hydrogen 3.043 N/A LYS 124.A NZ LYS 176.A O no hydrogen 2.941 N/A THR 125.A N ASN 123.A OD1 no hydrogen 3.169 N/A LEU 126.A N VAL 173.A O no hydrogen 2.827 N/A TYR 127.A N LYS 213.A O no hydrogen 2.739 N/A VAL 128.A N GLY 171.A O no hydrogen 2.856 N/A GLY 129.A N LEU 211.A O no hydrogen 2.734 N/A ASP 132.A N ASN 169.A OD1 no hydrogen 2.920 N/A ALA 134.A N GLY 130.A O no hydrogen 3.074 N/A LEU 135.A N ASP 132.A O no hydrogen 3.071 N/A ASN 136.A N GLY 133.A O no hydrogen 3.186 N/A ASN 136.A ND2 ASP 203.A O no hydrogen 3.019 N/A SER 137.A N ASP 132.A O no hydrogen 2.883 N/A SER 137.A OG ASP 132.A OD2 no hydrogen 2.849 N/A LYS 138.A N LEU 135.A O no hydrogen 2.911 N/A LYS 138.A NZ GLU 200.A OE1 no hydrogen 2.892 N/A LYS 138.A NZ GLU 200.A OE2 no hydrogen 3.392 N/A LEU 140.A N LYS 138.A O no hydrogen 3.008 N/A LYS 141.A N GLN 144.A OE1 no hydrogen 2.865 N/A GLN 144.A N LYS 141.A O no hydrogen 2.960 N/A ILE 145.A N LYS 141.A O no hydrogen 2.996 N/A GLU 146.A N.A PRO 142.A O no hydrogen 2.842 N/A GLU 146.A N.B PRO 142.A O no hydrogen 2.842 N/A SER 147.A N ALA 143.A O no hydrogen 3.195 N/A SER 147.A OG GLN 144.A O no hydrogen 3.039 N/A ARG 148.A N GLN 144.A O no hydrogen 3.173 N/A ARG 148.A NH1 LEU 193.A O no hydrogen 3.170 N/A ARG 148.A NH1 ASP 198.A OD2 no hydrogen 2.677 N/A ARG 148.A NH2 ASP 198.A OD1 no hydrogen 2.816 N/A ARG 148.A NH2 ASP 198.A OD2 no hydrogen 3.446 N/A ILE 149.A N ILE 145.A O no hydrogen 3.058 N/A ARG 150.A N GLU 146.A O.A no hydrogen 2.910 N/A ARG 150.A N GLU 146.A O.B no hydrogen 2.907 N/A PHE 151.A N.A SER 147.A O no hydrogen 2.918 N/A PHE 151.A N.B SER 147.A O no hydrogen 2.929 N/A VAL 152.A N ARG 148.A O no hydrogen 3.115 N/A PHE 153.A N ILE 149.A O no hydrogen 3.093 N/A SER 154.A N ARG 150.A O no hydrogen 2.845 N/A SER 154.A OG.A ARG 150.A O no hydrogen 2.838 N/A SER 154.A OG.A PHE 151.A O.A no hydrogen 3.341 N/A SER 154.A OG.A PHE 151.A O.B no hydrogen 3.425 N/A SER 154.A OG.B ARG 150.A O no hydrogen 2.717 N/A LEU 156.A N PHE 153.A O no hydrogen 2.940 N/A GLY 157.A N SER 154.A O no hydrogen 3.480 N/A ASP 160.A N LYS 174.A O no hydrogen 2.799 N/A ARG 161.A N LYS 174.A O no hydrogen 3.185 N/A ARG 163.A N PHE 172.A O no hydrogen 2.952 N/A VAL 165.A N CYS 170.A O no hydrogen 2.824 N/A LYS 168.A N VAL 165.A O no hydrogen 3.004 N/A ASN 169.A N GLU 166.A O no hydrogen 3.130 N/A CYS 170.A N VAL 165.A O no hydrogen 3.494 N/A GLY 171.A N VAL 128.A O no hydrogen 2.758 N/A PHE 172.A N ARG 163.A O no hydrogen 2.796 N/A VAL 173.A N LEU 126.A O no hydrogen 2.961 N/A LYS 174.A N ARG 161.A O no hydrogen 2.895 N/A LYS 174.A NZ THR 125.A OG1 no hydrogen 2.814 N/A PHE 175.A N LYS 124.A O no hydrogen 2.889 N/A LYS 176.A N ASP 158.A O no hydrogen 2.948 N/A LYS 176.A NZ GLU 94.A OE1 no hydrogen 3.541 N/A LYS 176.A NZ TYR 177.A OH no hydrogen 2.815 N/A ASN 180.A N TYR 177.A O no hydrogen 3.138 N/A ASN 180.A ND2 PRO 92.A O no hydrogen 2.990 N/A ASN 180.A ND2 LEU 156.A O no hydrogen 2.995 N/A ALA 181.A N TYR 177.A O no hydrogen 3.355 N/A GLU 182.A N GLN 178.A O no hydrogen 2.874 N/A PHE 183.A N ALA 179.A O no hydrogen 2.966 N/A ALA 184.A N ASN 180.A O no hydrogen 2.738 N/A LYS 185.A N ALA 181.A O no hydrogen 2.939 N/A GLU 186.A N GLU 182.A O no hydrogen 3.504 N/A ALA 187.A N PHE 183.A O no hydrogen 3.006 N/A MET 188.A N ALA 184.A O no hydrogen 2.883 N/A SER 189.A N LYS 185.A O no hydrogen 3.224 N/A SER 189.A OG LYS 185.A O no hydrogen 2.779 N/A ASN 190.A N LEU 210.A O no hydrogen 2.867 N/A ASN 190.A ND2 PHE 45.A O no hydrogen 3.103 N/A GLN 191.A N MET 188.A O no hydrogen 3.126 N/A GLN 191.A NE2 PHE 49.A O no hydrogen 2.935 N/A GLN 191.A NE2 ALA 187.A O no hydrogen 3.602 N/A THR 192.A OG1 ALA 134.A O no hydrogen 3.199 N/A LEU 193.A N ALA 134.A O no hydrogen 2.884 N/A LEU 194.A N THR 192.A OG1 no hydrogen 3.036 N/A LEU 195.A N ASP 198.A OD2 no hydrogen 2.710 N/A ASP 198.A N LEU 195.A O no hydrogen 2.815 N/A TRP 201.A N ASP 198.A O no hydrogen 2.998 N/A ASP 203.A N GLU 200.A O no hydrogen 2.830 N/A ARG 204.A N TRP 201.A O no hydrogen 3.062 N/A ARG 204.A NH1 TRP 201.A O no hydrogen 2.865 N/A ARG 205.A NH1.A VAL 46.A O no hydrogen 2.961 N/A ARG 205.A NH2.B ALA 40.A O no hydrogen 2.610 N/A GLU 206.A N ASP 203.A O no hydrogen 2.966 N/A GLY 207.A N ARG 204.A O no hydrogen 3.147 N/A THR 208.A N GLY 133.A O no hydrogen 3.087 N/A GLY 209.A N ARG 44.A O no hydrogen 3.028 N/A LEU 210.A N GLN 191.A O no hydrogen 2.996 N/A LEU 211.A N GLY 129.A O no hydrogen 3.032 N/A LYS 213.A N TYR 127.A O no hydrogen 2.949 N/A ALA 215.A N THR 125.A O no hydrogen 2.964 N/A