Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ch1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.955 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.875 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.840 N/A MET 5.A N CYS 101.A O no hydrogen 2.985 N/A ARG 6.A N TYR 27.A O no hydrogen 2.936 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.233 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.875 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.997 N/A TYR 7.A N SER 99.A O no hydrogen 2.925 N/A PHE 8.A N VAL 25.A O no hydrogen 2.905 N/A GLU 9.A N GLN 97.A O no hydrogen 2.908 N/A THR 10.A N ILE 23.A O no hydrogen 2.868 N/A ALA 11.A N LEU 95.A O no hydrogen 2.897 N/A VAL 12.A N ARG 21.A O no hydrogen 2.889 N/A SER 13.A N HIS 93.A O no hydrogen 2.885 N/A LEU 17.A N GLU 18.A OE1 no hydrogen 3.070 N/A ARG 21.A N VAL 12.A O no hydrogen 2.966 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.291 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.907 N/A TYR 22.A N SER 38.A OG no hydrogen 2.909 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.618 N/A ILE 23.A N THR 10.A O no hydrogen 2.840 N/A SER 24.A N PHE 36.A O no hydrogen 2.885 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.658 N/A VAL 25.A N PHE 8.A O no hydrogen 3.000 N/A GLY 26.A N VAL 34.A O no hydrogen 3.038 N/A TYR 27.A N ARG 6.A O no hydrogen 2.779 N/A VAL 28.A N LYS 31.A O no hydrogen 2.936 N/A ASP 29.A N SER 4.A O no hydrogen 2.810 N/A LYS 31.A N VAL 28.A O no hydrogen 3.022 N/A PHE 33.A N GLY 26.A O no hydrogen 2.880 N/A ARG 35.A N GLU 46.A O no hydrogen 3.077 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 3.214 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 3.087 N/A PHE 36.A N SER 24.A O no hydrogen 2.806 N/A SER 38.A N TYR 22.A O no hydrogen 2.905 N/A SER 38.A OG TYR 22.A O no hydrogen 3.423 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.943 N/A ALA 40.A N ASP 37.A O no hydrogen 3.095 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.226 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.658 N/A GLU 46.A N ARG 35.A O no hydrogen 2.863 N/A ARG 48.A N PHE 33.A O no hydrogen 2.921 N/A ARG 48.A NH1 GLU 32.A OE2 no hydrogen 3.301 N/A MET 52.A N ALA 49.A O no hydrogen 3.058 N/A GLU 53.A N PRO 50.A O no hydrogen 3.118 N/A GLU 55.A N MET 52.A O no hydrogen 3.391 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.799 N/A TYR 59.A N GLY 56.A O no hydrogen 3.160 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.424 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.244 N/A GLU 61.A N PRO 57.A O no hydrogen 3.085 N/A ARG 62.A N GLU 58.A O no hydrogen 3.108 N/A GLU 63.A N TYR 59.A O no hydrogen 2.891 N/A THR 64.A N TRP 60.A O no hydrogen 2.955 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.632 N/A GLN 65.A N GLU 61.A O no hydrogen 3.069 N/A LYS 66.A N ARG 62.A O no hydrogen 3.115 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.961 N/A ALA 67.A N GLU 63.A O no hydrogen 2.923 N/A LYS 68.A N THR 64.A O no hydrogen 3.079 N/A GLY 69.A N GLN 65.A O no hydrogen 3.285 N/A GLN 70.A N LYS 66.A O no hydrogen 2.887 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.785 N/A GLU 71.A N ALA 67.A O no hydrogen 2.879 N/A GLN 72.A N LYS 68.A O no hydrogen 3.255 N/A TRP 73.A N GLY 69.A O no hydrogen 2.987 N/A PHE 74.A N GLN 70.A O no hydrogen 2.924 N/A ARG 75.A N GLU 71.A O no hydrogen 3.036 N/A VAL 76.A N GLN 72.A O no hydrogen 3.039 N/A SER 77.A N TRP 73.A O no hydrogen 2.985 N/A SER 77.A OG TRP 73.A O no hydrogen 3.038 N/A LEU 78.A N PHE 74.A O no hydrogen 2.889 N/A ARG 79.A N ARG 75.A O no hydrogen 3.238 N/A ASN 80.A N VAL 76.A O no hydrogen 2.934 N/A LEU 81.A N SER 77.A O no hydrogen 2.904 N/A LEU 82.A N LEU 78.A O no hydrogen 3.326 N/A LEU 82.A N ARG 79.A O no hydrogen 3.323 N/A TYR 84.A N ASN 80.A O no hydrogen 2.957 N/A TYR 85.A N LEU 81.A O no hydrogen 2.964 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.477 N/A ASN 86.A N GLY 83.A O no hydrogen 3.033 N/A GLN 87.A N LEU 82.A O no hydrogen 2.875 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.863 N/A HIS 93.A N SER 13.A O no hydrogen 3.231 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.765 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.120 N/A LEU 95.A N ALA 11.A O no hydrogen 2.970 N/A GLN 96.A N ALA 117.A O no hydrogen 2.946 N/A GLN 97.A N GLU 9.A O no hydrogen 2.829 N/A MET 98.A N GLN 115.A O no hydrogen 3.048 N/A SER 99.A N TYR 7.A O no hydrogen 3.157 N/A GLY 100.A N TYR 113.A O no hydrogen 3.148 N/A CYS 101.A N MET 5.A O no hydrogen 2.999 N/A ASP 102.A N ARG 111.A O no hydrogen 2.791 N/A LEU 103.A N HIS 3.A O no hydrogen 2.726 N/A GLY 104.A N ARG 108.A O no hydrogen 3.042 N/A TRP 107.A N GLY 104.A O no hydrogen 2.881 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.968 N/A LEU 110.A N ASP 102.A O no hydrogen 2.643 N/A ARG 111.A N ASP 102.A O no hydrogen 3.315 N/A TYR 113.A N GLY 100.A O no hydrogen 2.797 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.709 N/A GLN 115.A N MET 98.A O no hydrogen 2.885 N/A PHE 116.A N ILE 124.A O no hydrogen 2.862 N/A ALA 117.A N GLN 96.A O no hydrogen 2.914 N/A TYR 118.A N ARG 121.A O no hydrogen 2.794 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.489 N/A GLU 119.A N THR 94.A O no hydrogen 2.907 N/A ARG 121.A N TYR 118.A O no hydrogen 2.941 N/A TYR 123.A N PHE 116.A O no hydrogen 2.865 N/A TYR 123.A OH ALA 139.A O no hydrogen 3.362 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.746 N/A ALA 125.A N THR 134.A O no hydrogen 2.957 N/A LEU 126.A N LEU 114.A O no hydrogen 2.786 N/A ASN 127.A N THR 132.A O no hydrogen 2.814 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.815 N/A LEU 130.A N ASN 127.A O no hydrogen 2.812 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.702 N/A LYS 131.A NZ ASP 129.A O no hydrogen 3.468 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.955 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.235 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.616 N/A THR 134.A N ALA 125.A O no hydrogen 2.890 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.505 N/A GLN 141.A N MET 138.A O no hydrogen 3.196 N/A GLN 141.A NE2 ALA 135.A O no hydrogen 2.891 N/A GLN 141.A NE2 ALA 136.A O no hydrogen 3.578 N/A GLN 141.A NE2 ASP 137.A O no hydrogen 2.900 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.746 N/A ARG 144.A N ALA 140.A O no hydrogen 2.995 N/A ARG 144.A NH1 TRP 133.A O no hydrogen 3.141 N/A ARG 145.A N GLN 141.A O no hydrogen 2.888 N/A LYS 146.A N ILE 142.A O no hydrogen 3.045 N/A TRP 147.A N THR 143.A O no hydrogen 2.945 N/A GLU 148.A N ARG 144.A O no hydrogen 2.957 N/A GLN 149.A N ARG 145.A O no hydrogen 3.134 N/A SER 150.A N LYS 146.A O no hydrogen 2.838 N/A SER 150.A OG LYS 146.A O no hydrogen 3.561 N/A SER 150.A OG TRP 147.A O no hydrogen 3.425 N/A ALA 152.A N TRP 147.A O no hydrogen 3.010 N/A GLU 154.A N GLU 154.A OE2 no hydrogen 3.017 N/A TYR 156.A N ALA 152.A O no hydrogen 3.083 N/A LYS 157.A N ALA 153.A O no hydrogen 2.803 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 3.088 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.105 N/A ALA 158.A N GLU 154.A O no hydrogen 2.940 N/A TYR 159.A N HIS 155.A O no hydrogen 3.380 N/A LEU 160.A N TYR 156.A O no hydrogen 2.865 N/A GLU 161.A N LYS 157.A O no hydrogen 2.840 N/A GLY 162.A N ALA 158.A O no hydrogen 2.908 N/A CYS 164.A N TYR 159.A O no hydrogen 2.803 N/A GLU 166.A N GLY 162.A O no hydrogen 2.862 N/A TRP 167.A N GLU 163.A O no hydrogen 2.808 N/A LEU 168.A N CYS 164.A O no hydrogen 2.950 N/A HIS 169.A N VAL 165.A O no hydrogen 2.879 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 2.779 N/A ARG 170.A N GLU 166.A O no hydrogen 3.109 N/A TYR 171.A N TRP 167.A O no hydrogen 2.863 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.424 N/A LEU 172.A N LEU 168.A O no hydrogen 2.900 N/A LYS 173.A N HIS 169.A O no hydrogen 3.170 N/A ASN 174.A N ARG 170.A O no hydrogen 3.065 N/A GLY 175.A N TYR 171.A O no hydrogen 3.043 N/A ASP 181.A N TYR 207.A O no hydrogen 2.776 N/A SER 182.A OG GLY 263.A O no hydrogen 3.077 N/A LYS 184.A N LEU 204.A O no hydrogen 2.878 N/A HIS 186.A N TRP 202.A O no hydrogen 3.112 N/A THR 188.A N ARG 200.A O no hydrogen 2.940 N/A THR 188.A OG1 ARG 200.A O no hydrogen 3.418 N/A HIS 190.A N THR 198.A O no hydrogen 2.866 N/A GLU 196.A N SER 193.A O no hydrogen 2.908 N/A VAL 197.A N VAL 247.A O no hydrogen 2.601 N/A THR 198.A N HIS 190.A O no hydrogen 2.659 N/A LEU 199.A N VAL 245.A O no hydrogen 3.057 N/A ARG 200.A N THR 188.A O no hydrogen 3.200 N/A CYS 201.A N ALA 243.A O no hydrogen 2.668 N/A TRP 202.A N HIS 186.A O no hydrogen 2.792 N/A TRP 202.A NE1 THR 188.A OG1 no hydrogen 3.185 N/A ALA 203.A N LYS 241.A O no hydrogen 2.773 N/A LEU 204.A N LYS 184.A O no hydrogen 3.241 N/A TYR 207.A N ASP 181.A O no hydrogen 2.921 N/A THR 212.A N TYR 260.A O no hydrogen 3.031 N/A THR 214.A N ARG 258.A O no hydrogen 2.873 N/A THR 214.A OG1 GLU 221.A OE1 no hydrogen 3.447 N/A TRP 215.A NE1 ALA 243.A O no hydrogen 3.029 N/A GLN 216.A N THR 256.A O no hydrogen 2.841 N/A GLN 216.A NE2 GLU 221.A OE1 no hydrogen 3.342 N/A LEU 217.A N GLU 220.A O no hydrogen 3.068 N/A GLU 220.A N LEU 217.A O no hydrogen 3.286 N/A LEU 222.A N TRP 215.A O no hydrogen 2.928 N/A GLU 227.A N SER 244.A O no hydrogen 2.851 N/A VAL 229.A N TRP 242.A O no hydrogen 3.342 N/A ARG 232.A N GLN 240.A O no hydrogen 3.097 N/A ARG 232.A NH1 GLN 240.A OE1 no hydrogen 2.654 N/A ALA 234.A N THR 238.A O no hydrogen 2.862 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.085 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.657 N/A PHE 239.A N PHE 206.A O no hydrogen 2.936 N/A GLN 240.A N ARG 232.A O no hydrogen 2.792 N/A LYS 241.A N ALA 203.A O no hydrogen 3.005 N/A LYS 241.A NZ VAL 229.A O no hydrogen 3.002 N/A ALA 243.A N CYS 201.A O no hydrogen 2.940 N/A SER 244.A N GLU 227.A O no hydrogen 2.662 N/A SER 244.A OG GLU 227.A O no hydrogen 3.545 N/A VAL 245.A N LEU 199.A O no hydrogen 2.979 N/A VAL 247.A N VAL 197.A O no hydrogen 2.712 N/A LEU 249.A N GLY 195.A O no hydrogen 3.068 N/A GLN 253.A NE2 TRP 272.A O no hydrogen 2.622 N/A TYR 255.A N GLU 252.A O no hydrogen 3.435 N/A THR 256.A N GLN 216.A O no hydrogen 3.082 N/A CYS 257.A N LEU 270.A O no hydrogen 2.712 N/A CYS 257.A SG THR 214.A O no hydrogen 3.929 N/A ARG 258.A N THR 214.A O no hydrogen 2.715 N/A ARG 258.A NH2 GLN 216.A OE1 no hydrogen 2.789 N/A VAL 259.A N LEU 268.A O no hydrogen 2.992 N/A TYR 260.A N THR 212.A O no hydrogen 2.935 N/A HIS 261.A NE2 PRO 208.A O no hydrogen 2.959 N/A GLY 263.A N HIS 261.A ND1 no hydrogen 3.023 N/A LEU 264.A N HIS 261.A O no hydrogen 3.176 N/A LEU 268.A N VAL 259.A O no hydrogen 3.023 N/A LEU 270.A N CYS 257.A O no hydrogen 2.986 N/A