Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qni_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N SER 4.A OG no hydrogen 3.414 N/A GLU 7.A N SER 4.A O no hydrogen 3.182 N/A GLY 9.A N GLN 129.A OE1 no hydrogen 3.357 N/A ASN 10.A ND2 THR 2.A O no hydrogen 3.244 N/A ASN 10.A ND2 SER 4.A O no hydrogen 2.808 N/A TYR 11.A OH GLU 122.A OE1 no hydrogen 3.166 N/A LYS 12.A N GLY 9.A O no hydrogen 2.971 N/A THR 14.A N TYR 11.A O no hydrogen 2.872 N/A VAL 15.A N TYR 11.A O no hydrogen 3.211 N/A LYS 16.A N LYS 12.A O no hydrogen 2.760 N/A ARG 17.A N ARG 13.A O no hydrogen 3.131 N/A ILE 18.A N VAL 15.A O no hydrogen 3.291 N/A ASP 20.A N LYS 16.A O no hydrogen 2.865 N/A GLY 21.A N ARG 17.A O no hydrogen 2.978 N/A ARG 23.A N ASP 19.A O no hydrogen 3.190 N/A LEU 24.A N ASP 20.A O no hydrogen 2.702 N/A CYS 25.A N GLY 21.A O no hydrogen 3.326 N/A CYS 25.A N HIS 22.A O no hydrogen 3.043 N/A CYS 25.A SG GLY 21.A O no hydrogen 3.629 N/A ASN 26.A N HIS 22.A O no hydrogen 3.313 N/A ASP 27.A N ARG 23.A O no hydrogen 2.704 N/A LEU 28.A N LEU 24.A O no hydrogen 2.939 N/A MET 29.A N CYS 25.A O no hydrogen 2.945 N/A ASN 30.A N ASN 26.A O no hydrogen 3.088 N/A ASN 30.A N ASP 27.A O no hydrogen 2.929 N/A CYS 31.A N ASP 27.A O no hydrogen 2.937 N/A VAL 32.A N LEU 28.A O no hydrogen 2.935 N/A GLN 33.A N MET 29.A O no hydrogen 2.914 N/A GLU 34.A N ASN 30.A O no hydrogen 2.739 N/A ARG 35.A N CYS 31.A O no hydrogen 2.972 N/A ARG 35.A NE GLU 39.A OE2 no hydrogen 2.951 N/A ARG 35.A NH1 GLU 39.A OE2 no hydrogen 3.169 N/A ALA 36.A N VAL 32.A O no hydrogen 2.911 N/A LYS 37.A N GLN 33.A O no hydrogen 2.948 N/A ILE 38.A N ARG 35.A O no hydrogen 3.063 N/A GLU 39.A N ARG 35.A O no hydrogen 2.980 N/A LYS 40.A N ALA 36.A O no hydrogen 2.875 N/A ALA 41.A N LYS 37.A O no hydrogen 3.077 N/A TYR 42.A N ILE 38.A O no hydrogen 3.314 N/A GLY 43.A N GLU 39.A O no hydrogen 3.060 N/A GLN 44.A N LYS 40.A O no hydrogen 2.864 N/A GLN 44.A NE2 GLN 44.A O no hydrogen 2.902 N/A GLN 45.A N ALA 41.A O no hydrogen 3.033 N/A LEU 46.A N TYR 42.A O no hydrogen 2.949 N/A THR 47.A N GLY 43.A O no hydrogen 2.922 N/A THR 47.A OG1 GLY 43.A O no hydrogen 2.815 N/A THR 47.A OG1 SER 81.A OG no hydrogen 2.853 N/A ASP 48.A N GLN 44.A O no hydrogen 2.798 N/A TRP 49.A N GLN 45.A O no hydrogen 3.016 N/A ALA 50.A N LEU 46.A O no hydrogen 2.858 N/A LYS 51.A N THR 47.A O no hydrogen 2.950 N/A ARG 52.A N ASP 48.A O no hydrogen 2.855 N/A TRP 53.A N TRP 49.A O no hydrogen 2.881 N/A ARG 54.A N ALA 50.A O no hydrogen 2.964 N/A ARG 54.A NH1 ASP 78.A OD2 no hydrogen 2.537 N/A GLN 55.A N LYS 51.A O no hydrogen 3.203 N/A LEU 56.A N ARG 52.A O no hydrogen 2.938 N/A ILE 57.A N TRP 53.A O no hydrogen 2.876 N/A GLU 58.A N ARG 54.A O no hydrogen 3.124 N/A LYS 59.A N GLN 55.A O no hydrogen 2.794 N/A GLN 62.A NE2 TYR 63.A O no hydrogen 2.554 N/A SER 65.A N ASP 249.A OD1 no hydrogen 2.706 N/A SER 65.A OG ASP 245.A O no hydrogen 3.436 N/A SER 65.A OG ASP 249.A OD1 no hydrogen 2.580 N/A LEU 66.A N ASP 249.A OD2 no hydrogen 3.226 N/A GLU 67.A N TYR 63.A O no hydrogen 3.242 N/A GLU 67.A N GLY 64.A O no hydrogen 3.070 N/A ARG 68.A N GLY 64.A O no hydrogen 3.313 N/A ALA 69.A N SER 65.A O no hydrogen 2.663 N/A TRP 70.A N LEU 66.A O no hydrogen 3.175 N/A GLY 71.A N GLU 67.A O no hydrogen 2.841 N/A ALA 72.A N ARG 68.A O no hydrogen 2.829 N/A ILE 73.A N TRP 70.A O no hydrogen 2.878 N/A THR 75.A N GLY 71.A O no hydrogen 3.359 N/A GLU 76.A N ALA 72.A O no hydrogen 3.134 N/A ALA 77.A N ILE 73.A O no hydrogen 3.140 N/A ASP 78.A N MET 74.A O no hydrogen 2.941 N/A ASP 78.A N THR 75.A O no hydrogen 2.877 N/A LYS 79.A N THR 75.A O no hydrogen 3.162 N/A VAL 80.A N GLU 76.A O no hydrogen 2.775 N/A SER 81.A N ALA 77.A O no hydrogen 3.091 N/A SER 81.A OG GLY 43.A O no hydrogen 2.859 N/A SER 81.A OG THR 47.A OG1 no hydrogen 2.853 N/A GLU 82.A N ASP 78.A O no hydrogen 2.785 N/A LEU 83.A N LYS 79.A O no hydrogen 2.854 N/A HIS 84.A N VAL 80.A O no hydrogen 2.988 N/A HIS 84.A ND1 GLU 39.A OE1 no hydrogen 2.581 N/A GLN 85.A N SER 81.A O no hydrogen 2.729 N/A GLU 86.A N GLU 82.A O no hydrogen 2.902 N/A VAL 87.A N LEU 83.A O no hydrogen 3.003 N/A LYS 88.A N HIS 84.A O no hydrogen 3.014 N/A ASN 89.A N GLN 85.A O no hydrogen 3.026 N/A ASN 90.A N GLU 86.A O no hydrogen 2.808 N/A LEU 91.A N VAL 87.A O no hydrogen 2.944 N/A LEU 92.A N LYS 88.A O no hydrogen 2.871 N/A ASN 93.A N ASN 89.A O no hydrogen 2.841 N/A GLU 94.A N ASN 90.A O no hydrogen 2.940 N/A ASP 95.A N ASN 90.A O no hydrogen 3.051 N/A LEU 96.A N LEU 91.A O no hydrogen 2.843 N/A LYS 98.A N GLU 94.A O no hydrogen 2.937 N/A LYS 98.A NZ GLU 213.A OE2 no hydrogen 2.801 N/A LYS 98.A NZ ASP 217.A OD2 no hydrogen 2.695 N/A VAL 99.A N ASP 95.A O no hydrogen 3.148 N/A LYS 100.A N LEU 96.A O no hydrogen 3.124 N/A ASN 101.A N GLU 97.A O no hydrogen 2.819 N/A TRP 102.A N LYS 98.A O no hydrogen 3.115 N/A GLN 103.A N VAL 99.A O no hydrogen 2.776 N/A GLN 103.A NE2 HIS 22.A O no hydrogen 3.429 N/A GLN 103.A NE2 ASN 26.A OD1 no hydrogen 2.690 N/A LYS 104.A N LYS 100.A O no hydrogen 3.070 N/A ASP 105.A N ASN 101.A O no hydrogen 3.012 N/A ALA 106.A N TRP 102.A O no hydrogen 2.864 N/A ALA 106.A N GLN 103.A O no hydrogen 3.312 N/A TYR 107.A N GLN 103.A O no hydrogen 3.140 N/A TYR 107.A OH ILE 18.A O no hydrogen 3.097 N/A HIS 108.A N GLU 117.A OE2 no hydrogen 2.591 N/A HIS 108.A ND1 GLU 117.A OE1 no hydrogen 2.993 N/A HIS 108.A ND1 GLU 117.A OE2 no hydrogen 3.205 N/A GLN 110.A N GLY 114.A O no hydrogen 2.970 N/A LYS 116.A N HIS 108.A O no hydrogen 3.115 N/A THR 118.A N PHE 115.A O no hydrogen 2.792 N/A THR 118.A OG1 ASP 19.A OD1 no hydrogen 2.709 N/A LYS 119.A N PHE 115.A O no hydrogen 3.169 N/A GLU 120.A N LYS 116.A O no hydrogen 3.054 N/A GLU 122.A N THR 118.A O no hydrogen 2.954 N/A ASP 123.A N LYS 119.A O no hydrogen 2.787 N/A GLY 124.A N GLU 120.A O no hydrogen 2.856 N/A PHE 125.A N ALA 121.A O no hydrogen 2.929 N/A ARG 126.A N GLU 122.A O no hydrogen 3.013 N/A LYS 127.A N ASP 123.A O no hydrogen 3.007 N/A ALA 128.A N GLY 124.A O no hydrogen 2.864 N/A GLN 129.A N ARG 126.A O no hydrogen 2.907 N/A GLN 129.A NE2 GLU 7.A O no hydrogen 3.538 N/A GLN 129.A NE2 TYR 189.A OH no hydrogen 3.026 N/A ALA 133.A N GLN 129.A O no hydrogen 2.878 N/A ALA 133.A N LYS 130.A O no hydrogen 3.089 N/A LYS 134.A N LYS 130.A O no hydrogen 3.295 N/A LYS 135.A N PRO 131.A O no hydrogen 3.321 N/A MET 136.A N TRP 132.A O no hydrogen 3.227 N/A LYS 137.A N ALA 133.A O no hydrogen 3.190 N/A LYS 137.A N LYS 134.A O no hydrogen 2.563 N/A GLU 138.A N LYS 134.A O no hydrogen 2.899 N/A LEU 139.A N LYS 135.A O no hydrogen 2.682 N/A GLU 140.A N MET 136.A O no hydrogen 3.296 N/A ALA 141.A N LYS 137.A O no hydrogen 2.914 N/A ALA 142.A N GLU 138.A O no hydrogen 2.959 N/A LYS 143.A N LEU 139.A O no hydrogen 2.819 N/A LYS 144.A N GLU 140.A O no hydrogen 3.020 N/A ALA 145.A N ALA 141.A O no hydrogen 2.911 N/A TYR 146.A N ALA 142.A O no hydrogen 2.892 N/A HIS 147.A N LYS 143.A O no hydrogen 3.368 N/A LEU 148.A N LYS 144.A O no hydrogen 3.279 N/A ALA 149.A N ALA 145.A O no hydrogen 3.419 N/A CYS 150.A N TYR 146.A O no hydrogen 3.156 N/A LYS 151.A N HIS 147.A O no hydrogen 2.679 N/A LYS 151.A NZ LYS 151.A O no hydrogen 3.486 N/A GLU 152.A N LEU 148.A O no hydrogen 2.758 N/A GLU 153.A N ALA 149.A O no hydrogen 3.179 N/A GLU 153.A N CYS 150.A O no hydrogen 3.095 N/A LYS 163.A NZ ASP 162.A OD1 no hydrogen 3.004 N/A CYS 164.A SG ALA 149.A O no hydrogen 3.797 N/A LYS 165.A N ASP 162.A O no hydrogen 3.446 N/A GLN 166.A N LYS 163.A O no hydrogen 2.952 N/A ASP 167.A N LYS 163.A O no hydrogen 3.056 N/A LYS 170.A N GLN 166.A O no hydrogen 2.676 N/A THR 171.A N ASP 167.A O no hydrogen 2.815 N/A THR 171.A OG1 VAL 168.A O no hydrogen 3.533 N/A GLN 172.A N VAL 168.A O no hydrogen 2.681 N/A GLU 173.A N GLN 169.A O no hydrogen 3.148 N/A TYR 175.A N THR 171.A O no hydrogen 2.826 N/A GLU 176.A N GLN 172.A O no hydrogen 2.837 N/A LYS 177.A N GLU 173.A O no hydrogen 2.903 N/A VAL 178.A N LYS 174.A O no hydrogen 2.873 N/A LEU 179.A N TYR 175.A O no hydrogen 2.937 N/A GLU 180.A N GLU 176.A O no hydrogen 3.037 N/A ASP 181.A N LYS 177.A O no hydrogen 3.005 N/A VAL 182.A N VAL 178.A O no hydrogen 2.782 N/A GLY 183.A N LEU 179.A O no hydrogen 3.246 N/A LYS 184.A N GLU 180.A O no hydrogen 2.862 N/A THR 185.A N ASP 181.A O no hydrogen 2.981 N/A THR 185.A N VAL 182.A O no hydrogen 2.648 N/A THR 185.A OG1 ASP 181.A O no hydrogen 3.149 N/A THR 185.A OG1 VAL 182.A O no hydrogen 3.199 N/A THR 186.A N GLY 183.A O no hydrogen 3.305 N/A THR 186.A OG1 GLY 183.A O no hydrogen 3.294 N/A TYR 189.A OH TRP 6.A O no hydrogen 2.688 N/A MET 190.A N THR 186.A O no hydrogen 2.958 N/A GLU 191.A N PRO 187.A O no hydrogen 2.821 N/A ASN 192.A N GLN 188.A O no hydrogen 3.069 N/A ASN 192.A ND2 GLN 188.A OE1 no hydrogen 2.993 N/A MET 193.A N TYR 189.A O no hydrogen 2.732 N/A GLU 194.A N MET 190.A O no hydrogen 2.695 N/A GLN 195.A N GLU 191.A O no hydrogen 2.926 N/A VAL 196.A N ASN 192.A O no hydrogen 3.155 N/A PHE 197.A N MET 193.A O no hydrogen 3.206 N/A GLU 198.A N GLU 194.A O no hydrogen 3.033 N/A GLU 198.A N GLN 195.A O no hydrogen 3.235 N/A GLN 199.A N GLN 195.A O no hydrogen 3.393 N/A CYS 200.A N VAL 196.A O no hydrogen 3.105 N/A CYS 200.A SG VAL 196.A O no hydrogen 3.792 N/A GLN 201.A N PHE 197.A O no hydrogen 2.924 N/A GLN 202.A N GLU 198.A O no hydrogen 3.018 N/A PHE 203.A N GLN 199.A O no hydrogen 3.026 N/A GLU 204.A N CYS 200.A O no hydrogen 2.998 N/A GLU 205.A N GLN 201.A O no hydrogen 2.853 N/A LYS 206.A N GLN 202.A O no hydrogen 3.362 N/A ARG 207.A N PHE 203.A O no hydrogen 3.385 N/A LEU 208.A N GLU 204.A O no hydrogen 2.792 N/A VAL 209.A N GLU 205.A O no hydrogen 2.714 N/A PHE 210.A N LYS 206.A O no hydrogen 2.863 N/A LEU 211.A N ARG 207.A O no hydrogen 2.660 N/A LYS 212.A N LEU 208.A O no hydrogen 3.086 N/A GLU 213.A N VAL 209.A O no hydrogen 3.349 N/A VAL 214.A N PHE 210.A O no hydrogen 3.008 N/A LEU 215.A N LEU 211.A O no hydrogen 2.978 N/A LEU 216.A N LYS 212.A O no hydrogen 3.164 N/A ASP 217.A N GLU 213.A O no hydrogen 2.933 N/A ILE 218.A N VAL 214.A O no hydrogen 2.745 N/A LYS 219.A N LEU 215.A O no hydrogen 3.030 N/A LYS 219.A NZ GLU 226.A OE2 no hydrogen 3.165 N/A ARG 220.A N LEU 216.A O no hydrogen 3.199 N/A HIS 221.A N ASP 217.A O no hydrogen 3.152 N/A HIS 221.A ND1 ASP 95.A OD2 no hydrogen 2.627 N/A LEU 222.A N ILE 218.A O no hydrogen 2.901 N/A GLU 226.A N ASN 223.A O no hydrogen 2.956 N/A ASN 227.A ND2 ASN 223.A O no hydrogen 3.537 N/A ASN 227.A ND2 LEU 224.A O no hydrogen 3.161 N/A ILE 231.A N ASN 227.A O no hydrogen 3.350 N/A HIS 232.A N SER 228.A O no hydrogen 2.713 N/A VAL 233.A N SER 229.A O no hydrogen 3.208 N/A TYR 234.A OH GLU 76.A OE1 no hydrogen 2.792 N/A ARG 235.A N ILE 231.A O no hydrogen 2.990 N/A GLU 236.A N HIS 232.A O no hydrogen 2.799 N/A LEU 237.A N VAL 233.A O no hydrogen 3.062 N/A GLU 238.A N TYR 234.A O no hydrogen 2.956 N/A GLN 239.A N ARG 235.A O no hydrogen 2.992 N/A ALA 240.A N GLU 236.A O no hydrogen 3.177 N/A ILE 241.A N LEU 237.A O no hydrogen 2.974 N/A ARG 242.A N GLU 238.A O no hydrogen 2.944 N/A ARG 242.A NE GLU 238.A OE1 no hydrogen 3.081 N/A GLY 243.A N GLN 239.A O no hydrogen 2.898 N/A ALA 244.A N ILE 241.A O no hydrogen 2.775 N/A ASP 245.A N SER 65.A OG no hydrogen 3.267 N/A GLU 248.A N ASP 245.A OD1 no hydrogen 2.900 N/A ASP 249.A N ASP 245.A O no hydrogen 3.116 N/A LEU 250.A N ALA 246.A O no hydrogen 2.906 N/A ARG 251.A N GLN 247.A O no hydrogen 3.062 N/A TRP 252.A N GLU 248.A O no hydrogen 3.169 N/A PHE 253.A N ASP 249.A O no hydrogen 3.387 N/A ARG 254.A N LEU 250.A O no hydrogen 2.951 N/A SER 255.A N ARG 251.A O no hydrogen 3.154 N/A SER 255.A OG ARG 251.A O no hydrogen 3.219 N/A THR 256.A N TRP 252.A O no hydrogen 2.796 N/A SER 257.A N PHE 253.A O no hydrogen 2.691 N/A GLY 258.A N ARG 254.A O no hydrogen 2.977 N/A GLY 260.A N ARG 254.A O no hydrogen 3.149 N/A MET 261.A N GLY 258.A O no hydrogen 2.932 N/A