Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cxm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG SER 4.A OG no hydrogen 2.865 N/A SER 2.A OG THR 24.A O no hydrogen 3.463 N/A SER 3.A N ASP 26.A OD1 no hydrogen 2.799 N/A SER 3.A OG ASP 26.A OD1 no hydrogen 3.558 N/A SER 3.A OG ASP 26.A OD2 no hydrogen 2.614 N/A SER 4.A N SER 2.A OG no hydrogen 3.015 N/A SER 4.A OG SER 2.A OG no hydrogen 2.865 N/A ARG 5.A N GLU 37.A OE1 no hydrogen 2.898 N/A ARG 5.A NH2.A ASP 41.A OD2 no hydrogen 3.036 N/A TRP 6.A N GLU 37.A OE2 no hydrogen 2.837 N/A TRP 6.A NE1 ASP 41.A OD1 no hydrogen 2.873 N/A LEU 7.A N GLU 37.A OE2 no hydrogen 2.789 N/A ALA 8.A N SER 4.A OG no hydrogen 3.140 N/A LEU 10.A N LEU 7.A O no hydrogen 3.147 N/A ILE 11.A N ALA 8.A O no hydrogen 3.037 N/A THR 12.A N ASN 62.A OD1 no hydrogen 2.891 N/A ASN 13.A N ASN 62.A OD1 no hydrogen 3.329 N/A TRP 16.A N ASN 13.A OD1 no hydrogen 3.068 N/A TRP 16.A NE1 CYS 64.A O no hydrogen 2.816 N/A ARG 17.A N ASN 13.A O no hydrogen 2.914 N/A ARG 17.A NE.B ASP 18.A OD1.A no hydrogen 3.188 N/A ARG 17.A NH2.B ASP 18.A OD1.A no hydrogen 3.121 N/A ARG 17.A NH2.B ASP 18.A OD2.A no hydrogen 3.535 N/A ASP 18.A N PRO 14.A O no hydrogen 3.012 N/A PHE 19.A N GLU 15.A O no hydrogen 2.976 N/A LEU 20.A N TRP 16.A O no hydrogen 2.826 N/A ALA 21.A N ASP 18.A O no hydrogen 3.252 N/A ILE 23.A N LEU 20.A O no hydrogen 2.776 N/A THR 24.A N LEU 20.A O no hydrogen 2.935 N/A THR 24.A OG1 LEU 20.A O no hydrogen 3.502 N/A THR 24.A OG1 ALA 21.A O no hydrogen 3.560 N/A ALA 25.A N ALA 21.A O no hydrogen 2.911 N/A TRP 28.A N ALA 25.A O no hydrogen 3.032 N/A LYS 30.A N SER 27.A O no hydrogen 3.075 N/A GLY 31.A N ASP 26.A O no hydrogen 2.803 N/A ALA 32.A N TRP 28.A O no hydrogen 3.265 N/A ARG 35.A N GLY 31.A O no hydrogen 3.090 N/A ARG 35.A NH1 LYS 30.A O no hydrogen 2.841 N/A ARG 35.A NH2 ARG 29.A O no hydrogen 2.899 N/A ARG 35.A NH2 LYS 30.A O no hydrogen 3.302 N/A ILE 36.A N ALA 32.A O no hydrogen 3.044 N/A GLU 37.A N PHE 33.A O no hydrogen 3.151 N/A ARG 38.A N ILE 34.A O no hydrogen 2.877 N/A PHE 39.A N ARG 35.A O no hydrogen 2.887 N/A LEU 40.A N ILE 36.A O no hydrogen 3.034 N/A ASP 41.A N GLU 37.A O no hydrogen 2.857 N/A GLU 42.A N ARG 38.A O no hydrogen 2.882 N/A GLU 43.A N PHE 39.A O no hydrogen 2.936 N/A LYS 44.A N LEU 40.A O no hydrogen 3.074 N/A GLU 45.A N ASP 41.A O no hydrogen 2.927 N/A LYS 46.A N GLU 42.A O no hydrogen 2.967 N/A LYS 46.A NZ GLU 43.A OE2.A no hydrogen 3.094 N/A GLY 47.A N LYS 44.A O no hydrogen 2.838 N/A ARG 48.A N GLU 43.A O no hydrogen 3.098 N/A ARG 48.A NH1 GLU 43.A OE1.A no hydrogen 2.559 N/A ARG 48.A NH1 GLU 43.A OE2.B no hydrogen 2.948 N/A LEU 51.A N VAL 141.A O no hydrogen 2.844 N/A ASP 56.A N PRO 53.A O no hydrogen 2.861 N/A ILE 57.A N ALA 54.A O no hydrogen 3.101 N/A ASN 59.A N ASP 56.A O no hydrogen 2.967 N/A ASN 59.A ND2 HIS 86.A O no hydrogen 2.945 N/A ASN 59.A ND2 GLN 125.A OE1 no hydrogen 2.924 N/A PHE 61.A N PHE 58.A O no hydrogen 2.997 N/A ASN 62.A N PHE 58.A O no hydrogen 2.993 N/A ASN 62.A ND2 LEU 10.A O no hydrogen 2.945 N/A SER 63.A N ASN 59.A O no hydrogen 2.960 N/A SER 63.A OG ASN 59.A O no hydrogen 2.740 N/A SER 63.A OG ASN 59.A OD1 no hydrogen 3.533 N/A SER 63.A OG SER 128.A OG no hydrogen 2.638 N/A CYS 64.A N PHE 61.A O no hydrogen 3.177 N/A CYS 64.A SG SER 128.A O no hydrogen 3.778 N/A ARG 67.A NE GLU 15.A OE2 no hydrogen 2.531 N/A GLY 68.A N PRO 65.A O no hydrogen 3.216 N/A LEU 69.A N PHE 66.A O no hydrogen 3.317 N/A LYS 70.A N GLY 131.A O no hydrogen 2.887 N/A LYS 70.A NZ GLN 130.A O no hydrogen 3.542 N/A LYS 70.A NZ LEU 231.A O no hydrogen 2.718 N/A VAL 71.A N GLY 131.A O no hydrogen 3.226 N/A VAL 72.A N VAL 175.A O no hydrogen 2.860 N/A LEU 73.A N LEU 133.A O no hydrogen 2.876 N/A GLY 75.A N LEU 135.A O no hydrogen 2.900 N/A GLN 76.A NE2 ASN 147.A OD1 no hydrogen 3.274 N/A TYR 79.A OH PHE 90.A O no hydrogen 2.798 N/A ASP 81.A N GLN 84.A OE1 no hydrogen 3.063 N/A LEU 82.A N ASP 81.A OD1 no hydrogen 2.718 N/A HIS 86.A NE2 SER 91.A OG no hydrogen 2.673 N/A CYS 89.A N MET 134.A O no hydrogen 2.985 N/A CYS 89.A SG LEU 73.A O no hydrogen 3.408 N/A SER 91.A N LEU 88.A O no hydrogen 3.415 N/A SER 91.A OG HIS 86.A NE2 no hydrogen 2.673 N/A SER 91.A OG GLY 122.A O no hydrogen 3.361 N/A VAL 92.A N GLY 122.A O no hydrogen 2.868 N/A LEU 93.A N GLN 84.A O no hydrogen 2.946 N/A ARG 103.A N PRO 99.A O no hydrogen 2.982 N/A ASN 104.A N PRO 100.A O no hydrogen 3.082 N/A ASN 104.A ND2 PRO 203.A O no hydrogen 2.842 N/A ILE 105.A N SER 101.A O no hydrogen 2.928 N/A TYR 106.A N LEU 102.A O no hydrogen 2.868 N/A TYR 106.A OH HIS 121.A O no hydrogen 2.702 N/A LYS 107.A N ARG 103.A O no hydrogen 2.908 N/A GLU 108.A N ASN 104.A O no hydrogen 3.028 N/A LEU 109.A N ILE 105.A O no hydrogen 2.879 N/A THR 110.A N TYR 106.A O no hydrogen 2.936 N/A THR 110.A OG1 TYR 106.A O no hydrogen 2.772 N/A THR 111.A N LYS 107.A O no hydrogen 3.316 N/A THR 111.A OG1 GLU 108.A O no hydrogen 3.148 N/A ASP 112.A N GLU 108.A O no hydrogen 2.812 N/A ILE 113.A N LEU 109.A O no hydrogen 2.942 N/A PHE 116.A N ILE 113.A O no hydrogen 2.986 N/A GLN 117.A N GLN 236.A OE1 no hydrogen 2.861 N/A GLN 117.A NE2.A ALA 118.A O no hydrogen 3.285 N/A HIS 121.A NE2 PRO 238.A O no hydrogen 2.708 N/A TYR 123.A N HIS 121.A ND1 no hydrogen 3.022 N/A LEU 124.A N SER 91.A OG no hydrogen 2.840 N/A GLN 125.A NE2 ASN 59.A OD1 no hydrogen 3.358 N/A TRP 127.A N LEU 124.A O no hydrogen 2.872 N/A TRP 127.A NE1 TRP 235.A O no hydrogen 2.900 N/A SER 128.A OG SER 63.A OG no hydrogen 2.638 N/A GLU 129.A N GLN 125.A O no hydrogen 3.082 N/A GLN 130.A N TRP 127.A O no hydrogen 3.061 N/A GLN 130.A NE2 SER 126.A O no hydrogen 3.221 N/A GLN 130.A NE2 HIS 234.A O no hydrogen 2.903 N/A GLY 131.A N SER 128.A O no hydrogen 2.948 N/A LEU 133.A N VAL 71.A O no hydrogen 2.813 N/A LEU 135.A N LEU 73.A O no hydrogen 2.955 N/A ALA 137.A N GLY 75.A O no hydrogen 2.995 N/A THR 138.A N GLN 76.A O no hydrogen 2.966 N/A THR 140.A OG1 HIS 149.A ND1 no hydrogen 2.754 N/A VAL 141.A N LEU 51.A O no hydrogen 2.863 N/A GLU 142.A N SER 148.A OG no hydrogen 2.915 N/A ALA 143.A N VAL 49.A O no hydrogen 2.879 N/A HIS 144.A N HIS 80.A O no hydrogen 2.794 N/A LYS 145.A N GLU 142.A O no hydrogen 2.995 N/A LYS 145.A NZ.A GLU 142.A OE2 no hydrogen 3.174 N/A LYS 145.A NZ.B GLU 142.A OE1 no hydrogen 3.275 N/A ASN 147.A N ASP 77.A OD2.A no hydrogen 2.744 N/A SER 148.A N LYS 145.A O no hydrogen 3.092 N/A SER 148.A OG LYS 145.A O no hydrogen 2.662 N/A HIS 149.A ND1 THR 140.A OG1 no hydrogen 2.754 N/A HIS 149.A NE2 GLU 43.A OE1.B no hydrogen 2.803 N/A SER 150.A N ASN 147.A O no hydrogen 3.100 N/A SER 150.A OG.A ASP 77.A OD1.B no hydrogen 3.148 N/A SER 150.A OG.A ASP 77.A OD2.B no hydrogen 2.412 N/A SER 150.A OG.A ASN 147.A O no hydrogen 3.404 N/A SER 150.A OG.C ASN 147.A O no hydrogen 2.798 N/A THR 152.A OG1 SER 148.A O no hydrogen 3.195 N/A SER 153.A N HIS 149.A O no hydrogen 3.145 N/A SER 153.A OG HIS 149.A O no hydrogen 2.698 N/A TRP 155.A N SER 153.A OG no hydrogen 3.057 N/A TRP 155.A NE1 THR 140.A OG1 no hydrogen 2.860 N/A THR 159.A N TRP 155.A O no hydrogen 2.894 N/A THR 159.A OG1 ALA 137.A O no hydrogen 2.673 N/A THR 159.A OG1 TRP 155.A O no hydrogen 3.380 N/A THR 159.A OG1 ALA 156.A O no hydrogen 3.356 N/A ASP 160.A N ALA 156.A O no hydrogen 2.846 N/A ALA 161.A N ALA 157.A O no hydrogen 3.014 N/A VAL 162.A N PHE 158.A O no hydrogen 2.898 N/A ILE 163.A N THR 159.A O no hydrogen 2.935 N/A GLN 164.A N ASP 160.A O no hydrogen 2.987 N/A GLN 164.A NE2 ASP 160.A O no hydrogen 3.328 N/A HIS 165.A N ALA 161.A O no hydrogen 2.895 N/A LEU 166.A N VAL 162.A O no hydrogen 2.791 N/A SER 167.A N ILE 163.A O no hydrogen 2.917 N/A GLN 168.A N GLN 164.A O no hydrogen 2.911 N/A HIS 169.A N HIS 165.A O no hydrogen 2.789 N/A HIS 170.A N LEU 166.A O no hydrogen 2.951 N/A HIS 170.A NE2 PHE 66.A O no hydrogen 2.783 N/A ASN 172.A N HIS 170.A ND1 no hydrogen 3.029 N/A ASN 172.A ND2 ARG 67.A O no hydrogen 2.928 N/A ASN 172.A ND2 LEU 69.A O no hydrogen 2.809 N/A ARG 173.A NE ARG 194.A O no hydrogen 2.862 N/A ARG 173.A NH2 ARG 194.A O no hydrogen 3.413 N/A LEU 174.A N HIS 195.A ND1 no hydrogen 2.970 N/A VAL 175.A N LYS 70.A O no hydrogen 2.935 N/A PHE 176.A N VAL 196.A O no hydrogen 2.801 N/A LEU 177.A N VAL 72.A O no hydrogen 2.836 N/A LEU 178.A N LEU 198.A O no hydrogen 2.965 N/A GLY 180.A N ASN 200.A O no hydrogen 2.841 N/A GLN 184.A N GLY 180.A O no hydrogen 3.029 N/A GLN 184.A NE2 LEU 178.A O no hydrogen 3.406 N/A GLN 185.A N GLY 181.A O no hydrogen 3.151 N/A GLN 185.A N TYR 182.A O no hydrogen 3.213 N/A LYS 186.A N ALA 183.A O no hydrogen 2.957 N/A LYS 186.A NZ ASP 160.A OD1 no hydrogen 2.849 N/A LYS 187.A N GLN 184.A O no hydrogen 3.080 N/A ARG 188.A NH2 GLN 185.A O no hydrogen 3.422 N/A LEU 189.A N LYS 186.A O no hydrogen 2.904 N/A ILE 190.A N LYS 187.A O no hydrogen 3.009 N/A ASP 191.A N SER 167.A OG no hydrogen 2.929 N/A ASN 193.A N ASP 191.A OD1 no hydrogen 2.833 N/A ARG 194.A N ASP 191.A OD1 no hydrogen 3.158 N/A ARG 194.A NH2 HIS 170.A O no hydrogen 2.941 N/A HIS 195.A N ASP 191.A O no hydrogen 2.955 N/A HIS 195.A NE2 SER 167.A O no hydrogen 2.863 N/A VAL 196.A N LEU 174.A O no hydrogen 2.926 N/A LEU 198.A N PHE 176.A O no hydrogen 2.867 N/A ASN 200.A N LEU 178.A O no hydrogen 2.993 N/A SER 204.A N HIS 202.A ND1 no hydrogen 2.992 N/A SER 207.A N SER 204.A O no hydrogen 3.147 N/A SER 207.A OG HIS 202.A O no hydrogen 2.600 N/A SER 207.A OG SER 204.A O no hydrogen 3.318 N/A ALA 208.A N SER 204.A O no hydrogen 2.851 N/A ALA 208.A N PRO 205.A O no hydrogen 3.347 N/A ARG 210.A N SER 207.A O no hydrogen 2.720 N/A TRP 212.A N ALA 208.A O no hydrogen 2.976 N/A TRP 212.A NE1 ASN 104.A O no hydrogen 3.096 N/A PHE 213.A N ALA 208.A O no hydrogen 3.192 N/A GLY 214.A N GLU 108.A OE1 no hydrogen 2.757 N/A CYS 215.A N TRP 212.A O no hydrogen 3.026 N/A CYS 215.A SG TRP 212.A O no hydrogen 3.193 N/A ARG 216.A N GLU 108.A OE2 no hydrogen 2.867 N/A ARG 216.A NE ASP 112.A OD1 no hydrogen 2.689 N/A ARG 216.A NH2 ASP 112.A O no hydrogen 2.828 N/A ARG 216.A NH2 ASP 112.A OD1 no hydrogen 3.278 N/A PHE 218.A N ASP 112.A OD2 no hydrogen 2.973 N/A SER 219.A N ASP 112.A OD2 no hydrogen 2.805 N/A SER 219.A OG ASP 112.A OD1 no hydrogen 2.469 N/A SER 219.A OG ASP 112.A OD2 no hydrogen 3.458 N/A SER 219.A OG ARG 216.A O no hydrogen 3.236 N/A ALA 220.A N ARG 216.A O no hydrogen 3.020 N/A CYS 221.A N CYS 217.A O no hydrogen 2.859 N/A ASN 222.A N PHE 218.A O no hydrogen 3.141 N/A ASN 222.A ND2 MET 233.A O no hydrogen 2.971 N/A GLU 223.A N SER 219.A O no hydrogen 2.870 N/A ALA 224.A N ALA 220.A O no hydrogen 2.981 N/A LEU 225.A N CYS 221.A O no hydrogen 2.877 N/A GLN 226.A N ASN 222.A O no hydrogen 2.890 N/A ARG 227.A N GLU 223.A O no hydrogen 2.961 N/A ARG 227.A NH1.A ARG 227.A O no hydrogen 3.127 N/A MET 228.A N.A ALA 224.A O no hydrogen 3.138 N/A MET 228.A N.A LEU 225.A O no hydrogen 3.069 N/A MET 228.A N.B ALA 224.A O no hydrogen 3.095 N/A MET 228.A N.B LEU 225.A O no hydrogen 3.066 N/A SER 229.A N GLN 226.A O no hydrogen 2.939 N/A HIS 230.A N LEU 225.A O no hydrogen 2.897 N/A HIS 230.A NE2 ARG 173.A O no hydrogen 2.739 N/A MET 233.A N ASN 222.A OD1 no hydrogen 2.814 N/A HIS 234.A N GLN 130.A OE1 no hydrogen 2.803 N/A GLN 236.A NE2 GLN 117.A O no hydrogen 2.825 N/A GLN 236.A NE2 LEU 237.A O no hydrogen 2.841 N/A