Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 22.A OE2 no hydrogen 3.408 N/A TRP 2.A N VAL 10.A O no hydrogen 3.107 N/A LEU 4.A N VAL 8.A O no hydrogen 2.907 N/A GLU 5.A N VAL 8.A O no hydrogen 3.412 N/A ASP 7.A N GLU 3.A OE2 no hydrogen 3.419 N/A VAL 8.A N GLU 5.A O no hydrogen 2.978 N/A TYR 9.A N HIS 79.A O no hydrogen 2.833 N/A VAL 10.A N TRP 2.A O no hydrogen 2.775 N/A VAL 11.A N LEU 81.A O no hydrogen 2.539 N/A VAL 13.A N HIS 83.A O no hydrogen 2.906 N/A TRP 15.A N LYS 85.A O no hydrogen 2.586 N/A THR 16.A N ASP 14.A OD1 no hydrogen 2.868 N/A THR 16.A OG1 ASP 14.A OD1 no hydrogen 2.412 N/A VAL 24.A N ILE 55.A O no hydrogen 3.210 N/A LEU 26.A N LEU 53.A O no hydrogen 3.096 N/A CYS 28.A N LYS 51.A O no hydrogen 2.968 N/A CYS 28.A SG SER 76.A OG no hydrogen 3.091 N/A ASP 29.A N SER 76.A OG no hydrogen 3.352 N/A THR 37.A N HIS 69.A O no hydrogen 2.908 N/A THR 37.A OG1 ASP 35.A O no hydrogen 3.554 N/A TRP 38.A N GLY 48.A O no hydrogen 3.083 N/A TRP 38.A NE1 GLY 50.A O no hydrogen 2.487 N/A THR 39.A N THR 67.A O no hydrogen 3.038 N/A THR 39.A OG1 HIS 69.A NE2 no hydrogen 3.053 N/A ASP 41.A N GLN 65.A O no hydrogen 3.112 N/A GLN 42.A N SER 40.A OG no hydrogen 3.110 N/A ARG 43.A NH2 ASP 62.A OD1 no hydrogen 2.992 N/A ILE 47.A N TRP 38.A O no hydrogen 3.323 N/A GLY 50.A N ILE 36.A O no hydrogen 2.906 N/A LYS 51.A NZ THR 30.A O no hydrogen 3.284 N/A LEU 53.A N LEU 26.A O no hydrogen 2.998 N/A THR 54.A OG1 ASN 25.A OD1 no hydrogen 2.951 N/A ILE 55.A N VAL 24.A O no hydrogen 3.512 N/A VAL 57.A N GLU 22.A O no hydrogen 3.253 N/A LYS 58.A N ASP 62.A OD2 no hydrogen 3.099 N/A GLU 59.A N ASP 62.A OD2 no hydrogen 3.179 N/A ASP 62.A N GLU 59.A O no hydrogen 3.238 N/A ALA 63.A N PHE 60.A O no hydrogen 3.035 N/A GLY 64.A N LEU 80.A O no hydrogen 3.523 N/A GLN 65.A N ASP 41.A OD1 no hydrogen 2.434 N/A TYR 66.A N SER 78.A O no hydrogen 2.685 N/A TYR 66.A OH ASP 62.A O no hydrogen 2.422 N/A THR 67.A N THR 39.A O no hydrogen 3.128 N/A CYS 68.A N SER 76.A O no hydrogen 2.922 N/A CYS 68.A SG SER 76.A OG no hydrogen 3.757 N/A HIS 69.A N THR 37.A O no hydrogen 2.771 N/A HIS 69.A NE2 THR 39.A OG1 no hydrogen 3.053 N/A LYS 70.A N GLU 73.A O no hydrogen 3.076 N/A GLY 71.A N ASP 35.A OD2 no hydrogen 3.275 N/A GLU 73.A N LYS 70.A O no hydrogen 3.053 N/A LEU 75.A N CYS 68.A O no hydrogen 3.391 N/A SER 78.A N TYR 66.A O no hydrogen 2.803 N/A HIS 79.A N ASP 7.A O no hydrogen 3.114 N/A HIS 79.A NE2 ASN 194.A OD1 no hydrogen 3.320 N/A LEU 80.A N GLY 64.A O no hydrogen 3.098 N/A LEU 81.A N TYR 9.A O no hydrogen 2.565 N/A LEU 82.A N ASN 194.A O no hydrogen 2.999 N/A HIS 83.A N VAL 11.A O no hydrogen 2.781 N/A LYS 84.A NZ GLU 93.A OE1 no hydrogen 3.410 N/A LYS 84.A NZ GLU 93.A OE2 no hydrogen 3.003 N/A LYS 85.A N VAL 13.A O no hydrogen 2.766 N/A GLU 86.A N ILE 89.A O no hydrogen 2.715 N/A ILE 89.A N GLU 86.A O no hydrogen 2.997 N/A SER 91.A N LYS 84.A O no hydrogen 3.051 N/A SER 91.A OG GLU 197.A OE2 no hydrogen 3.176 N/A GLU 93.A N GLU 197.A OE1 no hydrogen 3.181 N/A GLU 93.A N GLU 197.A OE2 no hydrogen 3.005 N/A LYS 96.A N LEU 120.A O no hydrogen 3.354 N/A PHE 98.A N THR 102.A O no hydrogen 2.623 N/A LYS 101.A N PHE 98.A O no hydrogen 2.764 N/A THR 102.A OG1 ASN 100.A OD1 no hydrogen 3.084 N/A LYS 105.A N SER 118.A O no hydrogen 3.233 N/A LYS 105.A NZ GLU 107.A OE2 no hydrogen 3.039 N/A GLU 107.A N THR 116.A O no hydrogen 2.885 N/A ALA 108.A N ILE 208.A O no hydrogen 2.978 N/A TYR 111.A N SER 238.A OG no hydrogen 3.316 N/A TYR 111.A OH ASP 277.A OD2 no hydrogen 3.283 N/A SER 112.A OG ASN 110.A OD1 no hydrogen 3.090 N/A ARG 114.A N SER 112.A OG no hydrogen 3.257 N/A PHE 115.A N CYS 169.A O no hydrogen 3.025 N/A THR 116.A N GLU 107.A O no hydrogen 3.131 N/A THR 116.A OG1 GLU 107.A O no hydrogen 3.399 N/A CYS 117.A N VAL 167.A O no hydrogen 3.061 N/A SER 118.A N LYS 105.A O no hydrogen 2.889 N/A TRP 119.A N TYR 165.A O no hydrogen 3.072 N/A VAL 121.A N GLU 163.A O no hydrogen 3.227 N/A GLN 122.A N ILE 94.A O no hydrogen 3.053 N/A GLN 122.A NE2 LEU 95.A O no hydrogen 3.210 N/A ASN 124.A ND2 ASN 124.A O no hydrogen 2.635 N/A MET 125.A N ARG 123.A O no hydrogen 2.943 N/A LYS 128.A N ARG 191.A O no hydrogen 2.863 N/A ASN 130.A N GLU 189.A O no hydrogen 2.935 N/A SER 133.A OG VAL 143.A O no hydrogen 3.271 N/A SER 134.A N GLU 185.A O no hydrogen 3.287 N/A SER 134.A OG GLU 185.A O no hydrogen 2.993 N/A SER 135.A OG SER 140.A OG no hydrogen 2.775 N/A SER 137.A N SER 140.A OG no hydrogen 3.413 N/A SER 137.A OG SER 140.A OG no hydrogen 2.891 N/A SER 140.A N SER 137.A O no hydrogen 3.347 N/A SER 140.A OG SER 135.A OG no hydrogen 2.775 N/A SER 140.A OG SER 137.A OG no hydrogen 2.891 N/A ARG 141.A NE GLU 171.A OE2 no hydrogen 3.000 N/A ARG 141.A NH1 GLU 180.A OE1 no hydrogen 2.991 N/A ARG 141.A NH1 LEU 182.A O no hydrogen 3.037 N/A ARG 141.A NH2 GLU 171.A OE2 no hydrogen 3.069 N/A ARG 141.A NH2 GLU 180.A OE1 no hydrogen 3.402 N/A VAL 143.A N SER 133.A OG no hydrogen 3.265 N/A THR 144.A N GLN 170.A O no hydrogen 3.096 N/A THR 144.A OG1 ASP 172.A OD1 no hydrogen 3.241 N/A GLY 146.A N SER 168.A O no hydrogen 2.742 N/A SER 149.A N SER 166.A O no hydrogen 2.763 N/A SER 149.A OG SER 166.A O no hydrogen 3.354 N/A SER 149.A OG SER 166.A OG no hydrogen 3.246 N/A SER 151.A N LYS 164.A O no hydrogen 2.647 N/A GLU 153.A N SER 151.A OG no hydrogen 3.409 N/A VAL 155.A N TYR 162.A O no hydrogen 2.882 N/A THR 156.A OG1 ASP 161.A OD1 no hydrogen 2.868 N/A LEU 157.A N ARG 160.A O no hydrogen 2.817 N/A ARG 160.A N LEU 157.A O no hydrogen 2.852 N/A TYR 162.A N VAL 155.A O no hydrogen 2.632 N/A LYS 164.A NZ GLU 153.A OE1 no hydrogen 3.331 N/A TYR 165.A N TRP 119.A O no hydrogen 2.849 N/A TYR 165.A OH ASN 124.A OD1 no hydrogen 2.753 N/A SER 166.A N SER 149.A O no hydrogen 2.915 N/A SER 166.A OG SER 149.A OG no hydrogen 3.246 N/A VAL 167.A N CYS 117.A O no hydrogen 2.945 N/A CYS 169.A N PHE 115.A O no hydrogen 2.916 N/A GLN 170.A N THR 144.A O no hydrogen 3.159 N/A GLU 171.A N GLY 113.A O no hydrogen 3.132 N/A ASP 172.A N ALA 142.A O no hydrogen 2.892 N/A ALA 178.A N CYS 175.A O no hydrogen 2.901 N/A ILE 184.A N PHE 203.A O no hydrogen 2.721 N/A LEU 186.A N THR 201.A O no hydrogen 2.728 N/A LEU 188.A N TYR 199.A O no hydrogen 2.560 N/A GLU 189.A N ASN 130.A O no hydrogen 2.790 N/A ALA 190.A N GLU 197.A O no hydrogen 2.985 N/A ARG 191.A N LYS 128.A O no hydrogen 2.687 N/A ARG 191.A NH1 GLN 193.A O no hydrogen 3.557 N/A GLN 192.A N LYS 195.A O no hydrogen 3.023 N/A GLN 193.A N ASP 126.A O no hydrogen 3.340 N/A LYS 195.A N GLN 192.A O no hydrogen 3.053 N/A LYS 195.A NZ GLU 93.A OE1 no hydrogen 2.431 N/A TYR 196.A N LEU 82.A O no hydrogen 2.695 N/A GLU 197.A N ALA 190.A O no hydrogen 3.088 N/A TYR 199.A N LEU 188.A O no hydrogen 2.817 N/A THR 201.A N LEU 186.A O no hydrogen 3.073 N/A PHE 203.A N ILE 184.A O no hydrogen 3.072 N/A ILE 205.A N GLU 180.A OE1 no hydrogen 2.977 N/A ARG 206.A N GLU 180.A OE2 no hydrogen 3.370 N/A ARG 206.A NH1 GLU 180.A O no hydrogen 3.326 N/A ASP 207.A N PHE 204.A O no hydrogen 3.022 N/A ILE 208.A N ILE 205.A O no hydrogen 3.153 N/A LYS 210.A N ALA 108.A O no hydrogen 2.683 N/A LYS 215.A N GLU 232.A O no hydrogen 3.155 N/A GLN 218.A N SER 230.A O no hydrogen 2.766 N/A SER 225.A OG ASN 224.A O no hydrogen 2.669 N/A SER 225.A OG GLN 226.A OE1 no hydrogen 2.496 N/A VAL 227.A N VAL 267.A O no hydrogen 3.010 N/A VAL 229.A N THR 265.A O no hydrogen 2.772 N/A SER 230.A N GLN 218.A O no hydrogen 3.069 N/A TRP 231.A N THR 263.A O no hydrogen 3.222 N/A GLU 232.A N LYS 215.A O no hydrogen 3.059 N/A SER 236.A OG ASP 212.A OD2 no hydrogen 2.452 N/A TRP 237.A N PRO 234.A O no hydrogen 3.332 N/A TRP 237.A NE1 PHE 244.A O no hydrogen 2.671 N/A TYR 243.A N PRO 240.A O no hydrogen 3.116 N/A PHE 244.A N PRO 240.A O no hydrogen 3.141 N/A SER 245.A OG SER 242.A O no hydrogen 3.131 N/A SER 245.A OG TYR 279.A OH no hydrogen 2.904 N/A LYS 247.A N GLN 276.A O no hydrogen 2.668 N/A PHE 248.A N VAL 260.A O no hydrogen 3.299 N/A PHE 249.A N GLN 274.A O no hydrogen 2.949 N/A VAL 250.A N PHE 258.A O no hydrogen 3.084 N/A ARG 251.A N CYS 272.A O no hydrogen 2.785 N/A GLN 253.A N ASN 270.A O no hydrogen 2.633 N/A PHE 258.A N VAL 250.A O no hydrogen 3.160 N/A VAL 260.A N PHE 248.A O no hydrogen 2.836 N/A THR 263.A OG1 TRP 231.A O no hydrogen 2.734 N/A THR 265.A N VAL 229.A O no hydrogen 3.013 N/A VAL 267.A N VAL 227.A O no hydrogen 2.857 N/A VAL 271.A N VAL 290.A O no hydrogen 2.898 N/A CYS 272.A N ARG 251.A O no hydrogen 2.942 N/A VAL 273.A N ALA 288.A O no hydrogen 3.143 N/A GLN 274.A N PHE 249.A O no hydrogen 3.036 N/A ALA 275.A N SER 285.A OG no hydrogen 2.760 N/A GLN 276.A NE2 SER 282.A O no hydrogen 2.770 N/A ARG 278.A N SER 245.A O no hydrogen 3.070 N/A ARG 278.A NE LEU 246.A O no hydrogen 3.044 N/A ARG 278.A NH2 LEU 246.A O no hydrogen 3.288 N/A TYR 279.A N ASP 277.A OD1 no hydrogen 2.879 N/A TYR 279.A OH SER 245.A OG no hydrogen 2.904 N/A TYR 280.A N ASP 277.A OD1 no hydrogen 2.534 N/A TYR 280.A OH ASP 207.A OD1 no hydrogen 3.203 N/A SER 285.A N ALA 275.A O no hydrogen 2.900 N/A SER 285.A OG LYS 286.A O no hydrogen 3.362 N/A ALA 288.A N VAL 273.A O no hydrogen 2.905 N/A VAL 290.A N VAL 271.A O no hydrogen 3.301 N/A