Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yrz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N PRO 138.A O no hydrogen 2.889 N/A GLY 5.A N GLU 8.A OE1 no hydrogen 2.977 N/A PHE 9.A N GLY 5.A O no hydrogen 2.764 N/A LEU 10.A N TYR 6.A O no hydrogen 2.980 N/A ASP 11.A N GLN 7.A O no hydrogen 2.796 N/A GLU 12.A N GLU 8.A O no hydrogen 2.848 N/A PHE 13.A N PHE 9.A O no hydrogen 3.121 N/A ARG 17.A N PHE 13.A O no hydrogen 3.193 N/A ASN 18.A N PRO 14.A O no hydrogen 2.892 N/A LEU 19.A N GLU 15.A O no hydrogen 2.918 N/A THR 20.A N GLN 16.A O no hydrogen 2.829 N/A THR 20.A OG1 GLN 16.A O no hydrogen 3.013 N/A THR 20.A OG1 VAL 310.A O no hydrogen 2.918 N/A ASN 21.A N ARG 17.A O no hydrogen 2.919 N/A ALA 22.A N ASN 18.A O no hydrogen 2.794 N/A LEU 23.A N LEU 19.A O no hydrogen 2.872 N/A SER 24.A N THR 20.A O no hydrogen 2.838 N/A SER 24.A OG THR 20.A O no hydrogen 2.871 N/A GLU 25.A N ASN 21.A O no hydrogen 2.933 N/A ALA 26.A N ALA 22.A O no hydrogen 2.807 N/A VAL 27.A N LEU 23.A O no hydrogen 2.737 N/A ARG 28.A N SER 24.A O no hydrogen 2.863 N/A ALA 29.A N GLU 25.A O no hydrogen 2.986 N/A LEU 34.A N LEU 71.A O no hydrogen 2.795 N/A SER 35.A N GLU 303.A OE2 no hydrogen 2.806 N/A SER 35.A OG GLU 303.A OE2 no hydrogen 3.357 N/A ILE 42.A N ASN 74.A O no hydrogen 2.859 N/A LYS 43.A N ASP 104.A OD2 no hydrogen 2.859 N/A ILE 44.A N GLN 76.A O no hydrogen 2.895 N/A SER 45.A N TYR 105.A O no hydrogen 2.855 N/A SER 45.A OG ASN 78.A OD1 no hydrogen 3.416 N/A SER 45.A OG SER 103.A OG no hydrogen 2.719 N/A VAL 46.A N ASN 78.A O no hydrogen 2.871 N/A VAL 47.A N ILE 107.A O no hydrogen 2.945 N/A TYR 48.A N VAL 80.A O no hydrogen 2.914 N/A GLY 50.A N THR 82.A O no hydrogen 2.999 N/A VAL 53.A N ASP 242.A OD2 no hydrogen 3.141 N/A SER 54.A N ASP 242.A OD1 no hydrogen 3.263 N/A TYR 56.A OH GLN 133.A OE1 no hydrogen 2.396 N/A ARG 59.A N ASP 55.A O no hydrogen 2.947 N/A ARG 59.A NE ASP 55.A OD2 no hydrogen 2.795 N/A ARG 59.A NH1 SER 338.A OG no hydrogen 2.904 N/A ARG 59.A NH2 SER 268.A OG no hydrogen 2.717 N/A ASN 60.A N TYR 56.A O no hydrogen 2.777 N/A ASN 60.A ND2 TYR 56.A O no hydrogen 3.664 N/A ASN 60.A ND2 THR 290.A OG1 no hydrogen 3.200 N/A ILE 61.A N TRP 57.A O no hydrogen 2.957 N/A ALA 62.A N VAL 58.A O no hydrogen 2.869 N/A SER 63.A N ARG 59.A O no hydrogen 2.897 N/A SER 63.A OG ARG 59.A O no hydrogen 3.099 N/A SER 63.A OG ASN 60.A O no hydrogen 3.078 N/A PHE 64.A N ASN 60.A O no hydrogen 2.878 N/A GLU 65.A N ILE 61.A O no hydrogen 2.882 N/A LYS 66.A N ALA 62.A O no hydrogen 2.947 N/A LYS 66.A NZ TYR 337.A O no hydrogen 2.838 N/A ARG 67.A N SER 63.A O no hydrogen 2.866 N/A ARG 67.A NE GLU 296.A OE1 no hydrogen 2.866 N/A ARG 67.A NH1 TYR 337.A OH no hydrogen 2.905 N/A ARG 67.A NH2 ALA 29.A O no hydrogen 3.270 N/A ARG 67.A NH2 GLU 296.A OE1 no hydrogen 2.545 N/A LEU 68.A N PHE 64.A O no hydrogen 2.895 N/A TYR 69.A N GLU 65.A O no hydrogen 2.922 N/A LYS 70.A N LYS 66.A O no hydrogen 2.961 N/A LEU 71.A N ARG 67.A O no hydrogen 2.906 N/A LEU 71.A N LEU 68.A O no hydrogen 3.139 N/A ASN 72.A N TYR 69.A O no hydrogen 2.918 N/A ASN 72.A ND2 TYR 69.A O no hydrogen 3.606 N/A ILE 73.A N LEU 68.A O no hydrogen 3.118 N/A TYR 75.A OH GLU 65.A OE2 no hydrogen 2.639 N/A GLN 76.A N ILE 42.A O no hydrogen 2.851 N/A ASN 78.A N ILE 44.A O no hydrogen 2.822 N/A VAL 80.A N VAL 46.A O no hydrogen 2.818 N/A THR 82.A N TYR 48.A O no hydrogen 2.900 N/A THR 82.A OG1 TYR 48.A O no hydrogen 2.905 N/A ASP 87.A N GLN 90.A OE1 no hydrogen 2.860 N/A LYS 89.A N ASP 87.A OD1 no hydrogen 3.042 N/A GLN 91.A N ASP 87.A O no hydrogen 2.937 N/A GLN 91.A NE2 ALA 86.A O no hydrogen 2.819 N/A SER 92.A N ILE 88.A O no hydrogen 2.874 N/A SER 92.A OG ILE 88.A O no hydrogen 2.751 N/A SER 92.A OG LYS 89.A O no hydrogen 2.957 N/A LEU 93.A N LYS 89.A O no hydrogen 2.910 N/A SER 94.A N GLN 90.A O no hydrogen 2.848 N/A LEU 95.A N GLN 91.A O no hydrogen 2.891 N/A MET 96.A N SER 92.A O no hydrogen 2.889 N/A GLU 97.A N LEU 93.A O no hydrogen 2.878 N/A ALA 98.A N SER 94.A O no hydrogen 2.887 N/A LEU 99.A N LEU 95.A O no hydrogen 2.920 N/A LYS 100.A N GLU 97.A O no hydrogen 3.161 N/A SER 101.A N ALA 98.A O no hydrogen 3.162 N/A SER 101.A OG SER 103.A OG no hydrogen 2.969 N/A LYS 102.A N LEU 99.A O no hydrogen 3.262 N/A SER 103.A OG SER 45.A OG no hydrogen 2.719 N/A SER 103.A OG SER 101.A OG no hydrogen 2.969 N/A ASP 104.A N LYS 43.A O no hydrogen 2.757 N/A TYR 105.A N LYS 43.A O no hydrogen 3.275 N/A TYR 105.A OH ASP 301.A OD2 no hydrogen 2.754 N/A LEU 106.A N LYS 129.A O no hydrogen 2.876 N/A ILE 107.A N SER 45.A O no hydrogen 2.846 N/A PHE 108.A N ILE 131.A O no hydrogen 2.903 N/A THR 113.A N ASP 111.A OD1 no hydrogen 2.875 N/A THR 113.A OG1 ASP 111.A OD1 no hydrogen 3.468 N/A ARG 114.A N ASP 111.A OD1 no hydrogen 3.138 N/A HIS 115.A ND1 ARG 114.A O no hydrogen 2.761 N/A ARG 116.A NE GLU 141.A OE1 no hydrogen 3.244 N/A LYS 117.A NZ GLU 120.A OE1 no hydrogen 3.243 N/A VAL 119.A N HIS 115.A O no hydrogen 3.224 N/A GLU 120.A N ARG 116.A O no hydrogen 2.973 N/A HIS 121.A N LYS 117.A O no hydrogen 2.832 N/A VAL 122.A N PHE 118.A O no hydrogen 2.913 N/A LEU 123.A N VAL 119.A O no hydrogen 2.852 N/A ASP 124.A N GLU 120.A O no hydrogen 2.944 N/A SER 125.A N HIS 121.A O no hydrogen 2.908 N/A SER 125.A OG HIS 121.A O no hydrogen 2.666 N/A THR 126.A N VAL 122.A O no hydrogen 3.368 N/A THR 126.A OG1 THR 128.A O no hydrogen 3.419 N/A THR 128.A OG1 SER 103.A O no hydrogen 2.539 N/A LYS 129.A N ASP 104.A O no hydrogen 2.958 N/A LYS 129.A NZ ASP 301.A OD2 no hydrogen 2.582 N/A ILE 131.A N LEU 106.A O no hydrogen 2.873 N/A LEU 132.A N LEU 149.A O no hydrogen 2.931 N/A GLN 133.A N PHE 108.A O no hydrogen 2.819 N/A ASN 134.A N VAL 151.A O no hydrogen 2.925 N/A THR 136.A OG1 ASP 154.A OD1 no hydrogen 2.774 N/A THR 137.A OG1 TYR 185.A OH no hydrogen 2.791 N/A VAL 139.A N TYR 150.A OH no hydrogen 3.171 N/A ARG 140.A N GLY 2.A O no hydrogen 2.891 N/A ARG 140.A NH2 GLU 8.A OE2 no hydrogen 3.179 N/A TRP 142.A N VAL 139.A O no hydrogen 3.221 N/A ASP 143.A N ARG 140.A O no hydrogen 3.292 N/A GLN 146.A NE2 VAL 139.A O no hydrogen 2.785 N/A PHE 148.A N LEU 130.A O no hydrogen 3.148 N/A LEU 149.A N LEU 130.A O no hydrogen 3.356 N/A TYR 150.A N THR 309.A O no hydrogen 2.774 N/A TYR 150.A OH GLN 146.A OE1 no hydrogen 2.503 N/A VAL 151.A N LEU 132.A O no hydrogen 2.920 N/A GLY 152.A N TYR 311.A O no hydrogen 3.167 N/A ASP 154.A N SER 312.A OG no hydrogen 2.967 N/A HIS 155.A NE2 ASN 134.A O no hydrogen 2.718 N/A GLU 157.A N ASP 154.A OD2 no hydrogen 2.816 N/A GLY 158.A N ASP 154.A O no hydrogen 3.227 N/A SER 159.A N HIS 155.A O no hydrogen 2.913 N/A SER 159.A OG HIS 155.A O no hydrogen 3.145 N/A SER 159.A OG ARG 190.A O no hydrogen 2.977 N/A SER 159.A OG TYR 237.A OH no hydrogen 2.916 N/A ARG 160.A N ALA 156.A O no hydrogen 2.788 N/A ARG 160.A NE GLU 157.A OE1 no hydrogen 3.014 N/A ARG 160.A NH2 GLU 157.A OE1 no hydrogen 2.945 N/A GLU 161.A N GLU 157.A O no hydrogen 2.887 N/A LEU 162.A N GLY 158.A O no hydrogen 2.974 N/A ALA 163.A N SER 159.A O no hydrogen 2.908 N/A THR 164.A N ARG 160.A O no hydrogen 2.809 N/A THR 164.A OG1 ARG 160.A O no hydrogen 2.863 N/A GLU 165.A N GLU 161.A O no hydrogen 2.905 N/A PHE 166.A N LEU 162.A O no hydrogen 2.903 N/A GLY 167.A N ALA 163.A O no hydrogen 2.956 N/A LYS 168.A N GLU 165.A O no hydrogen 2.650 N/A LYS 168.A NZ GLU 165.A OE1 no hydrogen 3.200 N/A PHE 169.A N GLU 165.A O no hydrogen 2.871 N/A PHE 170.A N PHE 166.A O no hydrogen 3.112 N/A LYS 172.A NZ ASP 201.A O no hydrogen 3.426 N/A HIS 173.A N ASN 202.A O no hydrogen 3.292 N/A HIS 173.A ND1 GLU 205.A OE1 no hydrogen 2.682 N/A THR 174.A OG1 PRO 171.A O no hydrogen 2.697 N/A TYR 176.A N GLU 205.A O no hydrogen 2.895 N/A SER 177.A N PHE 235.A O no hydrogen 3.380 N/A SER 177.A OG SER 208.A OG no hydrogen 2.973 N/A VAL 178.A N SER 208.A O no hydrogen 2.960 N/A LEU 179.A N TYR 237.A O no hydrogen 2.790 N/A TYR 180.A N TYR 210.A O no hydrogen 2.862 N/A TYR 180.A OH ASP 192.A OD1 no hydrogen 2.690 N/A GLU 183.A N.B GLU 183.A OE1.B no hydrogen 2.788 N/A TYR 185.A N ASP 111.A OD2 no hydrogen 3.200 N/A TYR 185.A OH THR 137.A OG1 no hydrogen 2.791 N/A SER 187.A OG SER 182.A O no hydrogen 2.872 N/A ASP 188.A N GLY 184.A O no hydrogen 3.131 N/A VAL 189.A N TYR 185.A O no hydrogen 2.876 N/A ARG 190.A N ILE 186.A O no hydrogen 2.789 N/A ARG 190.A NE HIS 155.A ND1 no hydrogen 3.112 N/A ARG 190.A NH1 CYS 239.A O no hydrogen 2.748 N/A ARG 190.A NH2 HIS 155.A ND1 no hydrogen 3.464 N/A GLY 191.A N SER 187.A O no hydrogen 2.815 N/A ASP 192.A N SER 187.A O no hydrogen 3.267 N/A THR 193.A OG1 VAL 189.A O no hydrogen 3.001 N/A ILE 195.A N GLY 191.A O no hydrogen 2.913 N/A HIS 196.A N ASP 192.A O no hydrogen 2.909 N/A GLN 197.A N THR 193.A O no hydrogen 2.951 N/A GLN 197.A NE2 ARG 160.A O no hydrogen 3.414 N/A VAL 198.A N PHE 194.A O no hydrogen 2.879 N/A ASN 199.A N ILE 195.A O no hydrogen 2.933 N/A ARG 200.A N HIS 196.A O no hydrogen 2.953 N/A ASP 201.A N GLN 197.A O no hydrogen 2.829 N/A ASN 202.A N VAL 198.A O no hydrogen 2.968 N/A ASN 203.A N ASN 199.A O no hydrogen 3.165 N/A PHE 204.A N VAL 198.A O no hydrogen 3.410 N/A GLU 205.A N THR 174.A O no hydrogen 3.096 N/A GLN 207.A N TYR 176.A O no hydrogen 2.718 N/A GLN 207.A NE2 GLU 205.A O no hydrogen 3.353 N/A SER 208.A OG SER 177.A OG no hydrogen 2.973 N/A SER 208.A OG SER 226.A OG no hydrogen 3.187 N/A TYR 210.A N VAL 178.A O no hydrogen 2.916 N/A THR 212.A N PHE 181.A O no hydrogen 3.208 N/A THR 212.A OG1 TYR 180.A O no hydrogen 2.798 N/A LYS 213.A N SER 218.A OG no hydrogen 2.934 N/A ALA 214.A N THR 212.A OG1 no hydrogen 3.118 N/A GLN 217.A NE2 ASP 221.A OD1 no hydrogen 3.552 N/A SER 218.A N THR 215.A OG1 no hydrogen 2.995 N/A GLY 219.A N THR 215.A O no hydrogen 2.901 N/A TYR 220.A N LYS 216.A O no hydrogen 2.897 N/A TYR 220.A OH GLU 253.A OE1 no hydrogen 2.599 N/A TYR 220.A OH GLU 253.A OE2 no hydrogen 3.090 N/A ASP 221.A N GLN 217.A O no hydrogen 2.881 N/A ALA 222.A N SER 218.A O no hydrogen 2.854 N/A ALA 223.A N GLY 219.A O no hydrogen 2.866 N/A LYS 224.A N TYR 220.A O no hydrogen 2.947 N/A LYS 224.A NZ TYR 220.A OH no hydrogen 3.138 N/A LYS 224.A NZ GLU 253.A OE2 no hydrogen 2.732 N/A ALA 225.A N ASP 221.A O no hydrogen 2.874 N/A SER 226.A N ALA 222.A O no hydrogen 2.840 N/A SER 226.A OG SER 208.A OG no hydrogen 3.187 N/A LEU 227.A N ALA 223.A O no hydrogen 2.886 N/A ALA 228.A N LYS 224.A O no hydrogen 2.831 N/A LYS 229.A N ALA 225.A O no hydrogen 2.934 N/A HIS 230.A N SER 226.A O no hydrogen 2.574 N/A ASP 234.A N TYR 175.A O no hydrogen 2.777 N/A ILE 236.A N MET 260.A O no hydrogen 2.799 N/A TYR 237.A N SER 177.A O no hydrogen 2.983 N/A TYR 237.A OH ARG 190.A O no hydrogen 2.914 N/A ALA 238.A N ASN 262.A OD1 no hydrogen 2.995 N/A CYS 239.A N LEU 179.A O no hydrogen 2.967 N/A CYS 239.A SG LEU 179.A O no hydrogen 3.504 N/A THR 241.A OG1 TRP 264.A O no hydrogen 3.030 N/A THR 241.A OG1 GLU 270.A OE1 no hydrogen 2.728 N/A ALA 244.A N SER 240.A O no hydrogen 2.923 N/A LEU 245.A N THR 241.A O no hydrogen 2.876 N/A GLY 246.A N ASP 242.A O no hydrogen 2.915 N/A ALA 247.A N VAL 243.A O no hydrogen 2.959 N/A VAL 248.A N ALA 244.A O no hydrogen 2.881 N/A ASP 249.A N LEU 245.A O no hydrogen 3.421 N/A ALA 250.A N GLY 246.A O no hydrogen 2.964 N/A LEU 251.A N ALA 247.A O no hydrogen 2.838 N/A ALA 252.A N VAL 248.A O no hydrogen 2.891 N/A GLU 253.A N ASP 249.A O no hydrogen 2.916 N/A LEU 254.A N ALA 250.A O no hydrogen 2.866 N/A GLY 255.A N ALA 252.A O no hydrogen 3.012 N/A ARG 256.A N LEU 251.A O no hydrogen 2.933 N/A ARG 256.A NE ASP 258.A OD1 no hydrogen 2.818 N/A ARG 256.A NE ASP 258.A OD2 no hydrogen 3.314 N/A ARG 256.A NH2 PRO 231.A O no hydrogen 2.209 N/A GLU 257.A N GLY 255.A O no hydrogen 3.175 N/A MET 260.A N ASP 234.A O no hydrogen 2.980 N/A ILE 261.A N ASP 280.A OD2 no hydrogen 3.213 N/A ASN 262.A ND2 ALA 238.A O no hydrogen 3.246 N/A ASN 262.A ND2 GLY 263.A O no hydrogen 2.816 N/A GLY 263.A N ILE 281.A O no hydrogen 2.851 N/A TRP 264.A N GLU 270.A OE1 no hydrogen 2.589 N/A TRP 264.A NE1 TYR 237.A OH no hydrogen 3.070 N/A GLY 265.A N VAL 283.A O no hydrogen 2.879 N/A GLY 266.A N GLU 270.A OE2 no hydrogen 2.961 N/A SER 268.A N ASP 55.A OD2 no hydrogen 3.136 N/A SER 268.A OG ASP 55.A OD2 no hydrogen 3.138 N/A LEU 271.A N GLY 267.A O no hydrogen 2.905 N/A ASP 272.A N SER 268.A O no hydrogen 2.818 N/A ALA 273.A N ALA 269.A O no hydrogen 2.942 N/A ILE 274.A N GLU 270.A O no hydrogen 2.778 N/A GLN 275.A N LEU 271.A O no hydrogen 2.862 N/A LYS 276.A N ASP 272.A O no hydrogen 2.872 N/A GLY 277.A N ALA 273.A O no hydrogen 2.738 N/A ASP 278.A N ALA 273.A O no hydrogen 2.826 N/A LEU 279.A N ALA 273.A O no hydrogen 3.374 N/A ASP 280.A N ILE 261.A O no hydrogen 2.865 N/A THR 282.A N VAL 318.A O no hydrogen 2.839 N/A THR 282.A OG1 GLU 270.A OE2 no hydrogen 2.612 N/A MET 284.A N GLU 316.A O no hydrogen 2.834 N/A ARG 285.A N GLY 265.A O no hydrogen 2.931 N/A MET 286.A N ASP 314.A O no hydrogen 3.047 N/A ASN 287.A ND2 ASP 288.A OD1 no hydrogen 3.036 N/A ASP 288.A N ALA 334.A O no hydrogen 2.840 N/A ASP 289.A N MET 286.A O no hydrogen 3.251 N/A THR 290.A OG1 ASN 287.A O no hydrogen 2.992 N/A ILE 292.A N ASP 288.A O no hydrogen 2.969 N/A ALA 293.A N ASP 289.A O no hydrogen 2.703 N/A MET 294.A N THR 290.A O no hydrogen 3.336 N/A GLU 296.A N ILE 292.A O no hydrogen 3.009 N/A ALA 297.A N ALA 293.A O no hydrogen 2.723 N/A ILE 298.A N MET 294.A O no hydrogen 2.972 N/A LYS 299.A N ALA 295.A O no hydrogen 2.947 N/A LYS 299.A NZ VAL 32.A O no hydrogen 2.438 N/A LYS 299.A NZ GLU 296.A OE2 no hydrogen 3.183 N/A TRP 300.A N GLU 296.A O no hydrogen 3.168 N/A ASP 301.A N ALA 297.A O no hydrogen 3.170 N/A LEU 302.A N ILE 298.A O no hydrogen 3.030 N/A GLU 303.A N LYS 299.A O no hydrogen 2.944 N/A GLU 303.A N TRP 300.A O no hydrogen 2.706 N/A ASP 304.A N ASP 301.A O no hydrogen 2.842 N/A LYS 305.A N TRP 300.A O no hydrogen 2.942 N/A LYS 305.A NZ GLU 303.A OE1 no hydrogen 3.561 N/A THR 309.A N GLN 16.A OE1 no hydrogen 2.971 N/A TYR 311.A N TYR 150.A O no hydrogen 3.110 N/A SER 312.A N TYR 6.A OH no hydrogen 3.170 N/A SER 312.A OG GLY 313.A O no hydrogen 3.209 N/A GLY 313.A N GLY 152.A O no hydrogen 3.046 N/A GLU 316.A N MET 284.A O no hydrogen 2.833 N/A VAL 318.A N THR 282.A O no hydrogen 2.906 N/A THR 319.A OG1 ASP 322.A OD1 no hydrogen 2.740 N/A LYS 320.A N ASP 280.A O no hydrogen 3.192 N/A LYS 320.A NZ GLY 277.A O no hydrogen 3.504 N/A ASP 322.A N THR 319.A O no hydrogen 2.987 N/A SER 323.A OG GLU 325.A OE1 no hydrogen 3.040 N/A ARG 326.A N SER 323.A OG no hydrogen 2.716 N/A ILE 327.A N SER 323.A O no hydrogen 3.023 N/A GLU 328.A N PRO 324.A O no hydrogen 2.817 N/A ALA 329.A N GLU 325.A O no hydrogen 2.791 N/A LEU 330.A N ARG 326.A O no hydrogen 2.871 N/A LYS 331.A N ILE 327.A O no hydrogen 2.838 N/A LYS 332.A N GLU 328.A O no hydrogen 2.852 N/A ARG 333.A N ALA 329.A O no hydrogen 2.908 N/A ARG 333.A NH1.A ASP 289.A OD2 no hydrogen 2.741 N/A ARG 333.A NH1.B GLU 316.A OE2 no hydrogen 3.044 N/A ALA 334.A N LEU 330.A O no hydrogen 2.744 N/A PHE 335.A N LYS 331.A O no hydrogen 2.853 N/A ARG 336.A NH2 VAL 27.A O no hydrogen 2.855 N/A ARG 336.A NH2 ASP 289.A OD1 no hydrogen 3.344 N/A TYR 337.A N ASP 288.A OD2 no hydrogen 2.666 N/A SER 338.A N ASP 288.A OD2 no hydrogen 2.935 N/A SER 338.A OG ASP 288.A OD1 no hydrogen 3.004 N/A SER 338.A OG ASP 288.A OD2 no hydrogen 3.442 N/A ASP 339.A N PHE 335.A O no hydrogen 2.692 N/A