Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N THR 75.A O no hydrogen 2.991 N/A GLY 3.A N GLU 103.A O no hydrogen 2.886 N/A LEU 4.A N LYS 77.A O no hydrogen 2.747 N/A LEU 5.A N VAL 105.A O no hydrogen 2.887 N/A VAL 6.A N TYR 79.A O no hydrogen 2.948 N/A MET 7.A N ILE 107.A O no hydrogen 2.978 N/A ALA 8.A N GLY 81.A O no hydrogen 3.244 N/A TYR 13.A OH GLU 57.A OE2 no hydrogen 2.721 N/A ASP 17.A N LYS 14.A O no hydrogen 2.911 N/A ILE 18.A N GLU 15.A O no hydrogen 3.054 N/A TYR 21.A N ASP 17.A O no hydrogen 3.111 N/A TYR 21.A OH GLY 10.A O no hydrogen 2.806 N/A TYR 22.A N ILE 18.A O no hydrogen 3.056 N/A THR 23.A N GLU 19.A O no hydrogen 2.915 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.077 N/A HIS 24.A N ARG 20.A O no hydrogen 2.814 N/A HIS 24.A ND1 HIS 84.A ND1 no hydrogen 2.815 N/A ILE 25.A N TYR 21.A O no hydrogen 3.027 N/A ARG 26.A N TYR 22.A O no hydrogen 2.786 N/A ARG 26.A NE ARG 29.A O no hydrogen 2.948 N/A ARG 26.A NE LYS 30.A O no hydrogen 3.416 N/A ARG 26.A NH2 LYS 30.A O no hydrogen 2.885 N/A ARG 27.A N HIS 24.A O no hydrogen 3.061 N/A GLY 28.A N THR 23.A O no hydrogen 3.138 N/A ARG 29.A NH1 ARG 27.A O no hydrogen 2.829 N/A LEU 36.A N GLU 32.A O no hydrogen 2.732 N/A GLN 37.A N PRO 33.A O no hydrogen 2.878 N/A GLN 37.A NE2 ASP 41.A OD2 no hydrogen 2.854 N/A ASP 38.A N GLU 34.A O no hydrogen 2.758 N/A LEU 39.A N MET 35.A O no hydrogen 3.317 N/A LEU 39.A N LEU 36.A O no hydrogen 3.075 N/A LYS 40.A N LEU 36.A O no hydrogen 3.084 N/A ASP 41.A N GLN 37.A O no hydrogen 2.881 N/A ARG 42.A N ASP 38.A O no hydrogen 3.362 N/A ARG 42.A NE ASP 38.A O no hydrogen 3.412 N/A TYR 43.A N LEU 39.A O no hydrogen 3.156 N/A GLU 44.A N LYS 40.A O no hydrogen 3.199 N/A ALA 45.A N ASP 41.A O no hydrogen 2.812 N/A ILE 46.A N ARG 42.A O no hydrogen 3.243 N/A GLY 47.A N GLU 44.A O no hydrogen 2.799 N/A GLY 48.A N TYR 43.A O no hydrogen 2.817 N/A LEU 52.A N ILE 49.A O no hydrogen 3.034 N/A GLN 54.A N PRO 51.A O no hydrogen 3.045 N/A ILE 55.A N LEU 52.A O no hydrogen 3.286 N/A GLN 58.A N GLN 54.A O no hydrogen 2.978 N/A GLN 59.A N ILE 55.A O no hydrogen 2.952 N/A GLN 59.A NE2 VAL 255.A O no hydrogen 3.641 N/A GLN 59.A NE2 ASN 287.A O no hydrogen 2.756 N/A ALA 60.A N THR 56.A O no hydrogen 3.155 N/A HIS 61.A N GLU 57.A O no hydrogen 2.925 N/A ASN 62.A N GLN 58.A O no hydrogen 2.804 N/A ASN 62.A ND2 ALA 288.A O no hydrogen 3.525 N/A LEU 63.A N GLN 59.A O no hydrogen 2.938 N/A GLU 64.A N ALA 60.A O no hydrogen 3.044 N/A GLN 65.A N HIS 61.A O no hydrogen 2.987 N/A HIS 66.A N ASN 62.A O no hydrogen 2.866 N/A HIS 66.A ND1 GLU 69.A OE1 no hydrogen 3.271 N/A HIS 66.A NE2 ASP 294.A OD1 no hydrogen 2.906 N/A LEU 67.A N LEU 63.A O no hydrogen 2.994 N/A ASN 68.A N GLU 64.A O no hydrogen 3.069 N/A ASN 68.A ND2 PHE 76.A O no hydrogen 2.957 N/A GLU 69.A N HIS 66.A O no hydrogen 3.004 N/A ILE 70.A N HIS 66.A O no hydrogen 2.910 N/A GLN 71.A NE2 LEU 67.A O no hydrogen 2.885 N/A GLN 71.A NE2 ILE 74.A O no hydrogen 2.549 N/A ILE 74.A N GLN 71.A OE1 no hydrogen 2.802 N/A PHE 76.A N ASN 68.A OD1 no hydrogen 2.527 N/A LYS 77.A N MET 2.A O no hydrogen 3.015 N/A LYS 77.A NZ TYR 79.A OH no hydrogen 3.381 N/A ALA 78.A N GLU 64.A OE2 no hydrogen 2.539 N/A TYR 79.A N LEU 4.A O no hydrogen 2.813 N/A TYR 79.A OH ASP 99.A OD1 no hydrogen 2.759 N/A GLY 81.A N VAL 6.A O no hydrogen 2.870 N/A LEU 82.A N PRO 87.A O no hydrogen 2.920 N/A LYS 83.A N ALA 8.A O no hydrogen 3.123 N/A HIS 84.A N TYR 9.A O no hydrogen 3.202 N/A HIS 84.A ND1 HIS 24.A ND1 no hydrogen 2.815 N/A PHE 88.A N ASP 91.A OD2 no hydrogen 2.902 N/A ILE 89.A N LEU 82.A O no hydrogen 3.103 N/A ALA 92.A N PHE 88.A O no hydrogen 2.928 N/A VAL 93.A N ILE 89.A O no hydrogen 3.122 N/A ALA 94.A N GLU 90.A O no hydrogen 3.047 N/A GLU 95.A N ASP 91.A O no hydrogen 2.975 N/A MET 96.A N ALA 92.A O no hydrogen 3.044 N/A HIS 97.A N VAL 93.A O no hydrogen 2.939 N/A LYS 98.A N ALA 94.A O no hydrogen 2.857 N/A ASP 99.A N GLU 95.A O no hydrogen 2.911 N/A GLY 100.A N HIS 97.A O no hydrogen 3.083 N/A ILE 101.A N MET 96.A O no hydrogen 3.069 N/A ALA 104.A N THR 136.A O no hydrogen 2.991 N/A VAL 105.A N GLY 3.A O no hydrogen 2.764 N/A SER 106.A N THR 138.A O no hydrogen 2.870 N/A SER 106.A OG SER 139.A OG no hydrogen 2.801 N/A ILE 107.A N LEU 5.A O no hydrogen 2.935 N/A LEU 109.A N MET 7.A O no hydrogen 2.761 N/A PHE 113.A N GLN 195.A OE1 no hydrogen 2.620 N/A THR 115.A N ASP 190.A OD1 no hydrogen 2.620 N/A THR 115.A OG1 ASP 190.A OD1 no hydrogen 2.811 N/A SER 117.A N SER 114.A OG no hydrogen 2.810 N/A VAL 118.A N SER 114.A O no hydrogen 3.204 N/A GLN 119.A N SER 114.A O no hydrogen 3.141 N/A SER 120.A N THR 115.A O no hydrogen 3.006 N/A SER 120.A OG PHE 116.A O no hydrogen 2.921 N/A ASN 122.A N VAL 118.A O no hydrogen 3.001 N/A LYS 123.A N GLN 119.A O no hydrogen 2.894 N/A LYS 123.A NZ GLU 127.A OE2 no hydrogen 2.612 N/A ARG 124.A N SER 120.A O no hydrogen 3.141 N/A ALA 125.A N TYR 121.A O no hydrogen 2.911 N/A LYS 126.A N ASN 122.A O no hydrogen 2.826 N/A GLU 127.A N LYS 123.A O no hydrogen 2.883 N/A GLU 128.A N ARG 124.A O no hydrogen 3.178 N/A ALA 129.A N ALA 125.A O no hydrogen 3.099 N/A GLU 130.A N LYS 126.A O no hydrogen 2.975 N/A LYS 131.A N GLU 127.A O no hydrogen 3.118 N/A LEU 132.A N GLU 128.A O no hydrogen 3.066 N/A LEU 132.A N ALA 129.A O no hydrogen 3.221 N/A GLY 133.A N ALA 129.A O no hydrogen 2.720 N/A THR 136.A N THR 102.A O no hydrogen 2.988 N/A THR 138.A N ALA 104.A O no hydrogen 2.799 N/A SER 139.A OG SER 106.A OG no hydrogen 2.801 N/A VAL 140.A N SER 106.A O no hydrogen 2.945 N/A TRP 143.A N PRO 111.A O no hydrogen 3.054 N/A TRP 143.A NE1 VAL 108.A O no hydrogen 3.072 N/A TYR 144.A N PRO 111.A O no hydrogen 3.046 N/A GLU 146.A N TRP 143.A O no hydrogen 2.923 N/A LYS 148.A N GLU 146.A OE1 no hydrogen 3.140 N/A LYS 148.A NZ ASP 294.A OD2 no hydrogen 2.956 N/A LYS 148.A NZ THR 298.A OG1 no hydrogen 2.638 N/A PHE 149.A N GLU 146.A O no hydrogen 2.784 N/A VAL 150.A N GLU 146.A O no hydrogen 2.979 N/A THR 151.A N PRO 147.A O no hydrogen 2.829 N/A THR 151.A OG1 PRO 147.A O no hydrogen 2.797 N/A TYR 152.A N LYS 148.A O no hydrogen 3.161 N/A TYR 152.A OH GLU 284.A O no hydrogen 2.887 N/A TRP 153.A N PHE 149.A O no hydrogen 3.350 N/A VAL 154.A N VAL 150.A O no hydrogen 2.871 N/A ASP 155.A N THR 151.A O no hydrogen 2.917 N/A ARG 156.A N TYR 152.A O no hydrogen 3.234 N/A ARG 156.A NH1 GLU 291.A OE1 no hydrogen 3.246 N/A VAL 157.A N TRP 153.A O no hydrogen 2.902 N/A LYS 158.A N VAL 154.A O no hydrogen 2.897 N/A LYS 158.A NZ GLY 206.A O no hydrogen 2.570 N/A GLU 159.A N ASP 155.A O no hydrogen 3.143 N/A THR 160.A N ARG 156.A O no hydrogen 3.144 N/A THR 160.A OG1 ARG 156.A O no hydrogen 3.036 N/A TYR 161.A N VAL 157.A O no hydrogen 2.951 N/A ALA 162.A N LYS 158.A O no hydrogen 2.891 N/A SER 163.A N THR 160.A O no hydrogen 3.215 N/A SER 163.A OG GLU 159.A O no hydrogen 3.409 N/A SER 163.A OG THR 160.A O no hydrogen 2.908 N/A MET 164.A N TYR 161.A O no hydrogen 3.159 N/A ARG 169.A N PRO 165.A O no hydrogen 3.058 N/A ARG 169.A NE TYR 161.A O no hydrogen 2.894 N/A ARG 169.A NH2 TYR 161.A O no hydrogen 3.367 N/A ASN 171.A N GLU 168.A O no hydrogen 2.744 N/A ASN 171.A ND2 ASP 167.A O no hydrogen 3.034 N/A MET 173.A N ALA 246.A O no hydrogen 2.855 N/A LEU 174.A N GLU 211.A O no hydrogen 3.167 N/A ILE 175.A N VAL 248.A O no hydrogen 2.780 N/A VAL 176.A N ALA 213.A O no hydrogen 2.866 N/A SER 177.A N VAL 250.A O no hydrogen 2.849 N/A SER 180.A N GLN 217.A O no hydrogen 2.932 N/A SER 180.A OG LEU 227.A O no hydrogen 2.771 N/A GLU 183.A N PRO 225.A O no hydrogen 2.938 N/A ILE 185.A N PRO 182.A O no hydrogen 3.328 N/A LYS 186.A N GLU 183.A O no hydrogen 3.153 N/A GLU 187.A N LYS 184.A O no hydrogen 2.978 N/A PHE 188.A N ILE 185.A O no hydrogen 2.850 N/A GLY 189.A N LYS 186.A O no hydrogen 2.984 N/A ASP 190.A N ILE 185.A O no hydrogen 3.384 N/A TYR 192.A N ASP 190.A OD2 no hydrogen 3.064 N/A TYR 192.A OH ALA 179.A O no hydrogen 2.447 N/A GLN 195.A N PRO 191.A O no hydrogen 2.826 N/A LEU 196.A N TYR 192.A O no hydrogen 3.078 N/A HIS 197.A N PRO 193.A O no hydrogen 3.097 N/A GLU 198.A N ASP 194.A O no hydrogen 2.984 N/A SER 199.A N GLN 195.A O no hydrogen 2.839 N/A SER 199.A OG HIS 112.A NE2 no hydrogen 3.184 N/A ALA 200.A N LEU 196.A O no hydrogen 2.741 N/A LYS 201.A N HIS 197.A O no hydrogen 2.977 N/A LEU 202.A N GLU 198.A O no hydrogen 2.902 N/A ILE 203.A N SER 199.A O no hydrogen 3.127 N/A ALA 204.A N ALA 200.A O no hydrogen 2.861 N/A GLU 205.A N LYS 201.A O no hydrogen 2.883 N/A GLY 206.A N LEU 202.A O no hydrogen 3.160 N/A ALA 207.A N ILE 203.A O no hydrogen 2.962 N/A GLY 208.A N GLU 205.A O no hydrogen 3.294 N/A VAL 209.A N ALA 204.A O no hydrogen 2.807 N/A SER 210.A OG GLU 211.A OE2 no hydrogen 3.213 N/A ALA 213.A N LEU 174.A O no hydrogen 2.727 N/A GLY 215.A N VAL 176.A O no hydrogen 3.022 N/A TRP 216.A N PRO 229.A O no hydrogen 2.955 N/A GLN 217.A N ALA 178.A O no hydrogen 3.151 N/A GLN 217.A NE2 ASN 265.A OD1 no hydrogen 3.056 N/A SER 218.A OG ASP 264.A OD2 no hydrogen 2.705 N/A THR 222.A OG1 ASP 224.A O no hydrogen 3.399 N/A ASP 224.A N THR 222.A OG1 no hydrogen 3.376 N/A TRP 226.A NE1 THR 222.A OG1 no hydrogen 2.837 N/A LEU 227.A N LEU 181.A O no hydrogen 2.769 N/A VAL 231.A N TRP 216.A O no hydrogen 2.706 N/A GLN 232.A N ASP 230.A OD2 no hydrogen 2.927 N/A LEU 234.A N ASP 230.A O no hydrogen 2.962 N/A THR 235.A N VAL 231.A O no hydrogen 3.063 N/A THR 235.A OG1 VAL 231.A O no hydrogen 2.611 N/A THR 235.A OG1 TYR 249.A OH no hydrogen 2.731 N/A ARG 236.A N GLN 232.A O no hydrogen 3.377 N/A ARG 236.A NH2 ASP 275.A OD2 no hydrogen 2.670 N/A ASP 237.A N ASP 233.A O no hydrogen 2.933 N/A LEU 238.A N LEU 234.A O no hydrogen 2.937 N/A PHE 239.A N THR 235.A O no hydrogen 2.944 N/A GLU 240.A N ARG 236.A O no hydrogen 2.868 N/A GLN 241.A N ASP 237.A O no hydrogen 3.179 N/A GLN 241.A N LEU 238.A O no hydrogen 3.198 N/A LYS 242.A N LEU 238.A O no hydrogen 3.074 N/A LYS 242.A N PHE 239.A O no hydrogen 3.283 N/A LYS 242.A NZ TYR 244.A OH no hydrogen 3.019 N/A GLY 243.A N PHE 239.A O no hydrogen 2.650 N/A GLN 245.A N ASN 171.A O no hydrogen 2.715 N/A GLN 245.A NE2 ASP 167.A OD1 no hydrogen 3.451 N/A ALA 246.A N ASN 171.A O no hydrogen 3.367 N/A PHE 247.A N SER 279.A O no hydrogen 3.233 N/A VAL 248.A N MET 173.A O no hydrogen 2.963 N/A TYR 249.A N TYR 281.A O no hydrogen 2.608 N/A TYR 249.A OH THR 235.A OG1 no hydrogen 2.731 N/A VAL 250.A N ILE 175.A O no hydrogen 2.833 N/A GLY 253.A N SER 177.A O no hydrogen 3.065 N/A PHE 254.A N PRO 251.A O no hydrogen 2.814 N/A ASP 257.A N ASN 287.A OD1 no hydrogen 2.813 N/A VAL 261.A N HIS 258.A O no hydrogen 3.227 N/A LEU 262.A N HIS 258.A O no hydrogen 2.892 N/A TYR 263.A N LEU 259.A O no hydrogen 2.867 N/A ASP 264.A N LEU 259.A O no hydrogen 3.432 N/A ASN 265.A N VAL 261.A O no hydrogen 3.224 N/A ASN 265.A ND2 GLN 217.A OE1 no hydrogen 3.076 N/A ASN 265.A ND2 VAL 261.A O no hydrogen 3.677 N/A ASP 266.A N VAL 261.A O no hydrogen 3.056 N/A TYR 267.A N TYR 263.A O no hydrogen 2.859 N/A GLU 268.A N TYR 263.A O no hydrogen 3.088 N/A CYS 269.A N ASN 265.A O no hydrogen 3.045 N/A CYS 269.A SG ASP 264.A O no hydrogen 3.563 N/A CYS 269.A SG ASN 265.A OD1 no hydrogen 4.047 N/A LYS 270.A NZ ASP 274.A OD1 no hydrogen 2.984 N/A LYS 270.A NZ ASP 274.A OD2 no hydrogen 3.116 N/A VAL 271.A N TYR 267.A O no hydrogen 2.858 N/A VAL 272.A N GLU 268.A O no hydrogen 3.432 N/A THR 273.A N CYS 269.A O no hydrogen 3.054 N/A THR 273.A OG1 CYS 269.A O no hydrogen 3.253 N/A THR 273.A OG1 LYS 270.A O no hydrogen 3.019 N/A ASP 274.A N LYS 270.A O no hydrogen 2.778 N/A ASP 275.A N VAL 271.A O no hydrogen 2.955 N/A ILE 276.A N VAL 272.A O no hydrogen 3.024 N/A ILE 276.A N THR 273.A O no hydrogen 3.168 N/A GLY 277.A N ASP 274.A O no hydrogen 3.153 N/A ALA 278.A N THR 273.A O no hydrogen 2.835 N/A SER 279.A N GLN 245.A O no hydrogen 2.898 N/A SER 279.A OG GLU 168.A OE1 no hydrogen 3.193 N/A SER 279.A OG GLU 168.A OE2 no hydrogen 2.859 N/A TYR 280.A OH ASP 266.A OD1 no hydrogen 2.557 N/A TYR 281.A N PHE 247.A O no hydrogen 2.867 N/A TYR 281.A OH GLU 168.A OE1 no hydrogen 2.709 N/A ARG 282.A NE ASP 266.A OD1 no hydrogen 3.107 N/A ARG 282.A NH1 PRO 283.A O no hydrogen 3.195 N/A ARG 282.A NH2 ASP 266.A OD1 no hydrogen 3.493 N/A ARG 282.A NH2 ASP 266.A OD2 no hydrogen 2.557 N/A ASN 287.A N VAL 255.A O no hydrogen 2.644 N/A ASN 287.A ND2 ASP 257.A OD1 no hydrogen 3.518 N/A LYS 289.A N PRO 286.A O no hydrogen 3.103 N/A ILE 293.A N LYS 289.A O no hydrogen 2.905 N/A ASP 294.A N PRO 290.A O no hydrogen 2.869 N/A ALA 295.A N GLU 291.A O no hydrogen 3.302 N/A LEU 296.A N PHE 292.A O no hydrogen 3.002 N/A ALA 297.A N ILE 293.A O no hydrogen 2.903 N/A THR 298.A N ASP 294.A O no hydrogen 3.037 N/A THR 298.A OG1 ASP 294.A O no hydrogen 2.955 N/A VAL 299.A N ALA 295.A O no hydrogen 3.080 N/A VAL 300.A N LEU 296.A O no hydrogen 2.942 N/A LEU 301.A N ALA 297.A O no hydrogen 2.993 N/A LYS 302.A N THR 298.A O no hydrogen 2.910 N/A LYS 302.A NZ GLU 146.A OE2 no hydrogen 2.873 N/A LYS 303.A N VAL 299.A O no hydrogen 3.129 N/A LEU 304.A N VAL 300.A O no hydrogen 3.228 N/A LEU 304.A N LEU 301.A O no hydrogen 3.165 N/A GLY 305.A N LYS 302.A O no hydrogen 2.868 N/A ARG 306.A N LEU 301.A O no hydrogen 2.766 N/A ARG 306.A NH1 GLY 305.A O no hydrogen 3.528 N/A ARG 306.A NH2 GLU 73.A OE1 no hydrogen 3.261 N/A