Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sg9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N LYS 49.A O no hydrogen 2.597 N/A ARG 2.A NE THR 3.A O no hydrogen 2.948 N/A TYR 4.A OH PRO 48.A O no hydrogen 2.600 N/A GLN 8.A N THR 5.A OG1 no hydrogen 3.120 N/A VAL 9.A N THR 5.A O no hydrogen 3.351 N/A GLU 10.A N PHE 6.A O no hydrogen 2.941 N/A LYS 11.A N ASP 7.A O no hydrogen 2.931 N/A ALA 12.A N GLN 8.A O no hydrogen 2.993 N/A ILE 13.A N VAL 9.A O no hydrogen 3.052 N/A GLU 14.A N GLU 10.A O no hydrogen 2.713 N/A GLN 15.A N LYS 11.A O no hydrogen 2.870 N/A TYR 17.A N ILE 13.A O no hydrogen 2.708 N/A PHE 20.A N TYR 17.A O no hydrogen 3.293 N/A ASN 23.A N ASN 40.A OD1 no hydrogen 2.993 N/A GLU 26.A N GLU 38.A O no hydrogen 3.174 N/A SER 28.A N ALA 36.A O no hydrogen 2.824 N/A GLY 29.A N ALA 36.A O no hydrogen 3.445 N/A GLY 31.A N CYS 34.A O no hydrogen 2.994 N/A ASN 32.A ND2 TYR 278.A OH no hydrogen 3.036 N/A ILE 35.A N PHE 47.A O no hydrogen 2.876 N/A ALA 36.A N GLY 29.A O no hydrogen 2.975 N/A TYR 37.A N PHE 45.A O no hydrogen 2.795 N/A GLU 38.A N GLU 26.A O no hydrogen 2.805 N/A ILE 39.A N PHE 43.A O no hydrogen 2.853 N/A ASN 40.A N THR 24.A O no hydrogen 2.853 N/A ASN 40.A ND2 THR 21.A O no hydrogen 3.270 N/A ASP 42.A N ILE 39.A O no hydrogen 3.193 N/A PHE 43.A N ILE 39.A O no hydrogen 3.214 N/A ILE 44.A N PHE 95.A O no hydrogen 2.832 N/A PHE 45.A N TYR 37.A O no hydrogen 2.766 N/A LYS 46.A N ALA 93.A O no hydrogen 2.872 N/A LYS 46.A NZ GLU 60.A OE2 no hydrogen 2.926 N/A LYS 46.A NZ ASP 217.A OD1 no hydrogen 2.833 N/A PHE 47.A N ILE 35.A O no hydrogen 2.908 N/A LYS 49.A N ASP 33.A O no hydrogen 2.738 N/A LYS 49.A NZ GLU 30.A OE2 no hydrogen 2.776 N/A LYS 49.A NZ GLY 31.A O no hydrogen 2.471 N/A HIS 50.A NE2 ASN 32.A O no hydrogen 3.107 N/A SER 51.A OG.A THR 87.A O no hydrogen 2.844 N/A SER 51.A OG.B THR 87.A O no hydrogen 3.378 N/A GLY 53.A N HIS 50.A ND1 no hydrogen 2.935 N/A SER 54.A N HIS 50.A O no hydrogen 3.012 N/A SER 54.A OG MET 90.A O no hydrogen 2.867 N/A THR 55.A N SER 51.A O no hydrogen 2.987 N/A THR 55.A OG1 SER 51.A O no hydrogen 3.395 N/A THR 55.A OG1 GLN 89.A OE1 no hydrogen 2.963 N/A ASN 56.A N ARG 52.A O no hydrogen 3.071 N/A ASN 56.A ND2 ASP 33.A OD1 no hydrogen 2.791 N/A ASN 56.A ND2 TYR 282.A OH no hydrogen 2.893 N/A LEU 57.A N GLY 53.A O no hydrogen 2.852 N/A PHE 58.A N SER 54.A O no hydrogen 2.813 N/A ASN 59.A N THR 55.A O no hydrogen 2.984 N/A ASN 59.A ND2.B GLY 219.A O no hydrogen 3.461 N/A ASN 59.A ND2.B ALA 221.A O no hydrogen 3.145 N/A GLU 60.A N ASN 56.A O no hydrogen 2.873 N/A VAL 61.A N LEU 57.A O no hydrogen 2.843 N/A ASN 62.A N PHE 58.A O no hydrogen 2.976 N/A ILE 63.A N ASN 59.A O no hydrogen 2.932 N/A LEU 64.A N GLU 60.A O no hydrogen 3.032 N/A LYS 65.A N VAL 61.A O no hydrogen 3.373 N/A ARG 66.A N ILE 63.A O no hydrogen 2.880 N/A ILE 67.A N ILE 63.A O no hydrogen 3.166 N/A ILE 67.A N LEU 64.A O no hydrogen 3.288 N/A LYS 70.A N ILE 67.A O no hydrogen 3.060 N/A VAL 79.A N GLY 94.A O no hydrogen 2.746 N/A PHE 80.A N GLY 94.A O no hydrogen 3.036 N/A THR 81.A N TYR 17.A OH no hydrogen 3.141 N/A GLY 82.A N PHE 92.A O no hydrogen 2.838 N/A MET 83.A N SER 91.A OG no hydrogen 3.016 N/A SER 85.A N TYR 88.A O no hydrogen 2.584 N/A SER 85.A OG TYR 88.A O no hydrogen 3.483 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.811 N/A THR 87.A N SER 85.A OG no hydrogen 3.121 N/A TYR 88.A N SER 85.A OG no hydrogen 3.022 N/A MET 90.A N SER 54.A OG no hydrogen 3.155 N/A SER 91.A N MET 83.A O no hydrogen 3.056 N/A SER 91.A OG MET 83.A O no hydrogen 3.373 N/A ALA 93.A N LYS 46.A O no hydrogen 3.089 N/A GLY 94.A N PHE 80.A O no hydrogen 2.793 N/A PHE 95.A N ILE 44.A O no hydrogen 2.678 N/A THR 96.A N GLU 77.A O no hydrogen 2.959 N/A THR 96.A OG1 GLU 77.A OE1 no hydrogen 2.967 N/A LYS 97.A N ASP 42.A O no hydrogen 2.972 N/A LYS 97.A NZ GLU 38.A OE1 no hydrogen 2.472 N/A VAL 101.A N PHE 205.A O no hydrogen 3.019 N/A LEU 103.A N ILE 203.A O no hydrogen 2.855 N/A LEU 107.A N THR 104.A OG1 no hydrogen 2.884 N/A LEU 108.A N THR 104.A O no hydrogen 2.841 N/A ASN 109.A N PRO 105.A O no hydrogen 3.136 N/A ASN 110.A N LEU 106.A O no hydrogen 3.311 N/A ASN 110.A N LEU 107.A O no hydrogen 3.314 N/A LEU 111.A N LEU 108.A O no hydrogen 3.051 N/A GLN 116.A N PRO 112.A O no hydrogen 3.005 N/A ASN 117.A N LYS 113.A O no hydrogen 2.894 N/A GLN 118.A N GLN 114.A O no hydrogen 3.105 N/A GLN 118.A NE2 GLN 118.A O no hydrogen 3.463 N/A GLN 118.A NE2 ASP 122.A OD1 no hydrogen 2.811 N/A ALA 119.A N SER 115.A O no hydrogen 2.793 N/A ALA 120.A N GLN 116.A O no hydrogen 3.107 N/A LYS 121.A N ASN 117.A O no hydrogen 2.955 N/A ASP 122.A N GLN 118.A O no hydrogen 2.767 N/A LEU 123.A N ALA 119.A O no hydrogen 2.943 N/A ALA 124.A N ALA 120.A O no hydrogen 2.936 N/A ARG 125.A N LYS 121.A O no hydrogen 2.982 N/A PHE 126.A N ASP 122.A O no hydrogen 3.002 N/A LEU 127.A N LEU 123.A O no hydrogen 2.881 N/A SER 128.A N ALA 124.A O no hydrogen 2.689 N/A GLU 129.A N ARG 125.A O no hydrogen 3.052 N/A LEU 130.A N PHE 126.A O no hydrogen 2.911 N/A HIS 131.A N LEU 127.A O no hydrogen 2.752 N/A HIS 131.A ND1 TYR 252.A OH no hydrogen 2.495 N/A HIS 131.A NE2 ASP 229.A OD1 no hydrogen 2.803 N/A SER 132.A N GLU 129.A O no hydrogen 3.244 N/A SER 132.A OG SER 128.A O no hydrogen 2.568 N/A ILE 133.A N LEU 130.A O no hydrogen 3.152 N/A SER 136.A N ASN 134.A OD1 no hydrogen 3.258 N/A PHE 138.A N ILE 135.A O no hydrogen 2.757 N/A LEU 142.A N LYS 139.A O no hydrogen 3.128 N/A VAL 143.A N SER 140.A O no hydrogen 3.132 N/A LEU 144.A N ILE 223.A O no hydrogen 2.898 N/A PHE 146.A N TYR 189.A OH no hydrogen 3.158 N/A ARG 147.A NH2 GLU 184.A OE1 no hydrogen 3.265 N/A GLU 148.A N ASP 145.A OD2 no hydrogen 3.064 N/A LYS 149.A N ASP 145.A O no hydrogen 3.079 N/A LYS 149.A NZ ASP 153.A OD2 no hydrogen 2.740 N/A ILE 150.A N PHE 146.A O no hydrogen 3.030 N/A ASN 151.A N ARG 147.A O no hydrogen 3.066 N/A ASN 151.A ND2 ARG 147.A O no hydrogen 3.378 N/A GLU 152.A N GLU 148.A O no hydrogen 2.923 N/A ASP 153.A N LYS 149.A O no hydrogen 2.689 N/A ASN 154.A N ILE 150.A O no hydrogen 2.931 N/A LYS 155.A N ASN 151.A O no hydrogen 3.325 N/A LYS 156.A N GLU 152.A O no hydrogen 3.038 N/A LYS 156.A NZ GLU 281.A OE1 no hydrogen 3.528 N/A LYS 156.A NZ GLU 281.A OE2 no hydrogen 2.555 N/A ILE 157.A N ASP 153.A O no hydrogen 2.795 N/A LYS 158.A N ASN 154.A O no hydrogen 3.010 N/A LYS 159.A N LYS 155.A O no hydrogen 2.917 N/A LEU 160.A N LYS 156.A O no hydrogen 2.708 N/A LEU 161.A N ILE 157.A O no hydrogen 2.603 N/A SER 162.A N LYS 158.A O no hydrogen 2.960 N/A GLU 164.A N LEU 161.A O no hydrogen 2.851 N/A LEU 165.A N LEU 161.A O no hydrogen 2.985 N/A LYS 166.A N GLN 169.A OE1 no hydrogen 2.976 N/A MET 170.A N LYS 166.A O no hydrogen 2.926 N/A LYS 171.A N GLY 167.A O no hydrogen 2.835 N/A LYS 171.A NZ ASP 175.A OD1 no hydrogen 2.763 N/A LYS 172.A N PRO 168.A O no hydrogen 3.233 N/A VAL 173.A N GLN 169.A O no hydrogen 3.051 N/A ASP 174.A N MET 170.A O no hydrogen 2.915 N/A ASP 175.A N LYS 171.A O no hydrogen 2.830 N/A PHE 176.A N LYS 172.A O no hydrogen 2.984 N/A TYR 177.A N VAL 173.A O no hydrogen 3.029 N/A TYR 177.A OH TYR 270.A OH no hydrogen 2.677 N/A ARG 178.A N ASP 174.A O no hydrogen 2.870 N/A ASP 179.A N ASP 175.A O no hydrogen 2.949 N/A ILE 180.A N PHE 176.A O no hydrogen 3.066 N/A LEU 181.A N TYR 177.A O no hydrogen 3.034 N/A GLU 182.A N ARG 178.A O no hydrogen 3.075 N/A ASN 183.A N ILE 180.A O no hydrogen 3.182 N/A ILE 185.A N ASN 183.A OD1 no hydrogen 3.136 N/A TYR 186.A N ASN 183.A O no hydrogen 3.374 N/A PHE 187.A N GLU 184.A O no hydrogen 2.757 N/A LYS 188.A N GLU 184.A O no hydrogen 3.203 N/A TYR 189.A OH LEU 144.A O no hydrogen 2.947 N/A CYS 192.A N SER 224.A O no hydrogen 3.017 N/A CYS 192.A SG LEU 193.A O no hydrogen 3.640 N/A ILE 194.A N ALA 222.A O no hydrogen 2.842 N/A HIS 195.A N ASP 229.A OD1 no hydrogen 3.075 N/A HIS 195.A NE2 ILE 216.A O no hydrogen 2.762 N/A ASN 196.A N ASP 229.A OD2 no hydrogen 2.856 N/A ASN 196.A ND2 ASP 220.A O no hydrogen 3.149 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 3.066 N/A SER 199.A OG ASP 197.A O no hydrogen 3.372 N/A SER 200.A N GLU 239.A OE1 no hydrogen 2.946 N/A SER 200.A OG GLU 239.A OE1 no hydrogen 2.866 N/A HIS 202.A N SER 199.A O no hydrogen 2.880 N/A HIS 202.A ND1 ASP 197.A O no hydrogen 2.956 N/A ILE 203.A N SER 200.A O no hydrogen 3.147 N/A LEU 204.A N GLY 214.A O no hydrogen 2.755 N/A PHE 205.A N VAL 101.A O no hydrogen 2.625 N/A ASP 206.A N THR 211.A O no hydrogen 2.862 N/A GLU 208.A N ASP 206.A OD1 no hydrogen 3.005 N/A LYS 209.A N ASP 206.A OD1 no hydrogen 3.342 N/A LYS 209.A NZ ASP 206.A OD2 no hydrogen 2.653 N/A THR 211.A N ASP 206.A O no hydrogen 3.225 N/A CYS 213.A N LEU 204.A O no hydrogen 2.983 N/A CYS 213.A SG LYS 99.A O no hydrogen 3.375 N/A ILE 215.A N PRO 74.A O no hydrogen 2.988 N/A ILE 216.A N HIS 202.A O no hydrogen 3.004 N/A PHE 218.A N GLU 60.A OE1 no hydrogen 2.816 N/A ALA 221.A N PHE 218.A O no hydrogen 3.024 N/A ALA 222.A N ILE 194.A O no hydrogen 3.239 N/A ILE 223.A N LEU 142.A O no hydrogen 3.064 N/A SER 224.A N CYS 192.A O no hydrogen 2.714 N/A SER 224.A OG LEU 144.A O no hydrogen 2.877 N/A ASP 227.A N ASP 225.A OD2 no hydrogen 2.958 N/A ASN 228.A N ASP 225.A O no hydrogen 2.919 N/A ASN 228.A ND2 ASN 196.A OD1 no hydrogen 3.245 N/A ASP 229.A N PRO 226.A O no hydrogen 3.156 N/A PHE 230.A N ASP 227.A O no hydrogen 3.225 N/A ILE 231.A N ASP 227.A O no hydrogen 3.413 N/A SER 232.A N ASN 228.A O no hydrogen 3.426 N/A SER 232.A OG PHE 198.A O no hydrogen 2.549 N/A SER 232.A OG ASN 228.A O no hydrogen 3.241 N/A LEU 233.A N PHE 230.A O no hydrogen 2.668 N/A MET 234.A N ILE 231.A O no hydrogen 3.119 N/A GLU 239.A N GLU 235.A O no hydrogen 2.735 N/A TYR 240.A N LEU 233.A O no hydrogen 2.781 N/A TYR 240.A OH LEU 103.A O no hydrogen 2.514 N/A VAL 245.A N GLY 241.A O no hydrogen 3.354 N/A SER 246.A N MET 242.A O no hydrogen 2.724 N/A SER 246.A OG MET 242.A O no hydrogen 3.412 N/A SER 246.A OG GLU 243.A O no hydrogen 3.055 N/A LYS 247.A N GLU 243.A O no hydrogen 3.404 N/A ILE 248.A N PHE 244.A O no hydrogen 3.187 N/A LEU 249.A N VAL 245.A O no hydrogen 2.758 N/A ASN 250.A N SER 246.A O no hydrogen 2.970 N/A HIS 251.A N LYS 247.A O no hydrogen 3.030 N/A TYR 252.A N ILE 248.A O no hydrogen 2.962 N/A TYR 252.A OH HIS 131.A ND1 no hydrogen 2.495 N/A LYS 253.A N ASN 250.A O no hydrogen 2.976 N/A HIS 254.A N LEU 249.A O no hydrogen 2.941 N/A HIS 254.A NE2 ASP 227.A OD1 no hydrogen 2.763 N/A ASP 256.A N HIS 254.A ND1 no hydrogen 3.090 N/A THR 259.A N ASP 256.A OD1 no hydrogen 3.202 N/A THR 259.A OG1 ASP 256.A OD2 no hydrogen 2.493 N/A LEU 261.A N ILE 257.A O no hydrogen 3.283 N/A GLU 262.A N PRO 258.A O no hydrogen 3.124 N/A LYS 263.A N THR 259.A O no hydrogen 3.034 N/A LYS 263.A NZ ASP 225.A OD1 no hydrogen 2.689 N/A LYS 263.A NZ ASP 225.A OD2 no hydrogen 3.368 N/A LYS 263.A NZ ASP 227.A OD2 no hydrogen 2.657 N/A TYR 264.A N VAL 260.A O no hydrogen 2.788 N/A TYR 264.A OH GLU 268.A OE2 no hydrogen 3.083 N/A ARG 265.A N LEU 261.A O no hydrogen 2.776 N/A MET 266.A N GLU 262.A O no hydrogen 3.077 N/A LYS 267.A N LYS 263.A O no hydrogen 2.916 N/A LYS 267.A NZ GLU 274.A OE2 no hydrogen 2.761 N/A GLU 268.A N TYR 264.A O no hydrogen 2.932 N/A LYS 269.A N ARG 265.A O no hydrogen 3.138 N/A TYR 270.A N MET 266.A O no hydrogen 2.710 N/A TYR 270.A OH ASP 153.A OD2 no hydrogen 2.762 N/A TYR 270.A OH TYR 177.A OH no hydrogen 2.677 N/A TRP 271.A N GLU 268.A O no hydrogen 3.462 N/A SER 272.A OG GLU 294.A OE1 no hydrogen 2.485 N/A PHE 273.A N TYR 270.A O no hydrogen 2.966 N/A GLU 274.A N TYR 270.A O no hydrogen 3.143 N/A LYS 275.A N TRP 271.A O no hydrogen 2.762 N/A LYS 275.A NZ GLU 290.A OE2 no hydrogen 2.651 N/A LYS 275.A NZ GLU 294.A OE2 no hydrogen 2.614 N/A ILE 276.A N SER 272.A O no hydrogen 3.203 N/A ILE 277.A N PHE 273.A O no hydrogen 3.016 N/A GLY 279.A N LYS 275.A O no hydrogen 2.982 N/A LYS 280.A N ILE 276.A O no hydrogen 3.411 N/A GLU 281.A N ILE 277.A O no hydrogen 2.959 N/A TYR 282.A N TYR 278.A O no hydrogen 3.220 N/A GLY 283.A N LYS 280.A O no hydrogen 2.893 N/A TYR 284.A N GLY 279.A O no hydrogen 2.726 N/A GLU 290.A N ASP 286.A O no hydrogen 3.255 N/A GLY 291.A N TRP 287.A O no hydrogen 2.826 N/A LEU 292.A N TYR 288.A O no hydrogen 2.928 N/A ASN 293.A N GLU 289.A O no hydrogen 3.144 N/A GLU 294.A N GLU 290.A O no hydrogen 2.940 N/A ILE 295.A N GLY 291.A O no hydrogen 2.966 N/A ARG 296.A N LEU 292.A O no hydrogen 3.005 N/A ARG 296.A NH2 GLU 164.A O no hydrogen 2.796 N/A SER 297.A N GLU 294.A O no hydrogen 3.209 N/A