Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3si2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ALA 1.A O no hydrogen 3.234 N/A GLU 5.A N TRP 2.A O no hydrogen 2.913 N/A ASN 7.A N GLN 4.A O no hydrogen 3.085 N/A HIS 8.A N GLU 5.A O no hydrogen 2.892 N/A HIS 9.A N LYS 6.A O no hydrogen 3.332 N/A HIS 9.A NE2 TYR 319.A O no hydrogen 2.596 N/A GLN 10.A NE2 HIS 8.A O no hydrogen 3.082 N/A ALA 12.A N GLU 318.A O no hydrogen 2.831 N/A LEU 14.A N GLU 318.A OE2 no hydrogen 2.801 N/A SER 17.A N ASN 15.A OD1 no hydrogen 2.999 N/A SER 18.A N ASN 15.A OD1 no hydrogen 2.897 N/A SER 18.A OG ASN 15.A OD1 no hydrogen 3.036 N/A LEU 19.A N ASN 15.A O no hydrogen 2.772 N/A GLN 20.A N SER 16.A O no hydrogen 2.900 N/A GLN 20.A NE2 GLU 24.A OE2 no hydrogen 3.080 N/A GLN 21.A N SER 17.A O no hydrogen 2.986 N/A VAL 22.A N SER 18.A O no hydrogen 2.927 N/A ALA 23.A N LEU 19.A O no hydrogen 2.818 N/A GLU 24.A N GLN 20.A O no hydrogen 2.830 N/A GLY 25.A N VAL 22.A O no hydrogen 3.070 N/A THR 26.A OG1 GLU 135.A OE2 no hydrogen 2.548 N/A SER 27.A N GLU 135.A OE2 no hydrogen 3.151 N/A SER 29.A OG SER 27.A OG no hydrogen 3.213 N/A GLU 30.A N SER 27.A OG no hydrogen 3.080 N/A MET 31.A N SER 27.A O no hydrogen 2.887 N/A TRP 32.A N ILE 28.A O no hydrogen 2.736 N/A TRP 32.A NE1 GLU 297.A OE2 no hydrogen 2.623 N/A GLN 33.A N SER 29.A O no hydrogen 2.871 N/A ASN 34.A N GLU 30.A O no hydrogen 2.806 N/A ASP 35.A N MET 31.A O no hydrogen 2.671 N/A LEU 36.A N MET 31.A O no hydrogen 2.841 N/A ARG 37.A N TRP 32.A O no hydrogen 2.911 N/A ARG 37.A NE GLU 297.A OE2 no hydrogen 2.601 N/A ARG 37.A NH2 GLU 297.A OE2 no hydrogen 2.851 N/A LEU 39.A N LEU 36.A O no hydrogen 2.718 N/A LEU 40.A N ARG 37.A O no hydrogen 2.927 N/A ILE 41.A N LEU 39.A O no hydrogen 2.789 N/A ARG 43.A N SER 109.A OG no hydrogen 2.750 N/A ARG 43.A NE TYR 107.A O no hydrogen 2.792 N/A ARG 43.A NH1 ILE 41.A O no hydrogen 2.901 N/A ARG 43.A NH1 VAL 121.A O no hydrogen 2.469 N/A ARG 43.A NH2 VAL 121.A O no hydrogen 2.890 N/A ARG 43.A NH2 GLY 122.A O no hydrogen 3.000 N/A SER 47.A N TYR 44.A O no hydrogen 2.925 N/A SER 47.A OG TYR 44.A O no hydrogen 2.523 N/A SER 50.A N SER 47.A O no hydrogen 2.916 N/A SER 50.A N SER 47.A OG no hydrogen 3.209 N/A SER 52.A N PRO 48.A O no hydrogen 3.021 N/A SER 52.A OG PRO 48.A O no hydrogen 3.307 N/A ALA 53.A N GLY 49.A O no hydrogen 2.802 N/A ARG 54.A N SER 50.A O no hydrogen 2.924 N/A ARG 54.A NH1 SER 50.A OG no hydrogen 3.166 N/A ARG 54.A NH1 TYR 107.A OH no hydrogen 2.771 N/A GLN 55.A N TYR 51.A O no hydrogen 2.830 N/A HIS 56.A N SER 52.A O no hydrogen 2.830 N/A HIS 56.A NE2 ASP 35.A O no hydrogen 2.701 N/A ILE 57.A N ALA 53.A O no hydrogen 2.870 N/A MET 58.A N ARG 54.A O no hydrogen 2.947 N/A GLN 59.A N GLN 55.A O no hydrogen 2.679 N/A ARG 60.A N HIS 56.A O no hydrogen 2.794 N/A ARG 60.A NE ASP 35.A OD1 no hydrogen 2.674 N/A ARG 60.A NH2 ASP 35.A OD1 no hydrogen 3.304 N/A ARG 60.A NH2 ASP 35.A OD2 no hydrogen 3.463 N/A ILE 61.A N ILE 57.A O no hydrogen 3.061 N/A GLN 62.A N MET 58.A O no hydrogen 2.828 N/A ARG 63.A N GLN 59.A O no hydrogen 2.934 N/A LEU 64.A N ILE 61.A O no hydrogen 3.029 N/A GLN 65.A N ASP 141.A OD2 no hydrogen 2.754 N/A ALA 66.A N ASP 141.A OD1 no hydrogen 2.788 N/A VAL 69.A N THR 92.A O no hydrogen 2.752 N/A GLU 71.A N ILE 90.A O no hydrogen 2.772 N/A ASP 73.A N ASN 88.A O no hydrogen 2.791 N/A THR 74.A OG1 SER 87.A OG no hydrogen 2.639 N/A PHE 75.A N PHE 86.A O no hydrogen 2.941 N/A SER 77.A N ARG 84.A O no hydrogen 2.940 N/A THR 79.A N GLY 82.A O no hydrogen 2.770 N/A THR 79.A OG1 GLY 82.A O no hydrogen 2.769 N/A TYR 81.A N THR 79.A OG1 no hydrogen 2.804 N/A GLY 82.A N THR 79.A O no hydrogen 2.772 N/A ARG 84.A N SER 77.A O no hydrogen 2.917 N/A ARG 84.A NH1 TYR 83.A O no hydrogen 2.716 N/A PHE 86.A N PHE 75.A O no hydrogen 2.724 N/A SER 87.A N ASP 160.A OD2 no hydrogen 2.656 N/A SER 87.A OG THR 74.A OG1 no hydrogen 2.639 N/A ASN 88.A N ASP 73.A O no hydrogen 2.840 N/A ILE 89.A N PHE 158.A O no hydrogen 2.791 N/A ILE 90.A N GLU 71.A O no hydrogen 2.793 N/A SER 91.A N LEU 156.A O no hydrogen 2.739 N/A THR 92.A N VAL 69.A O no hydrogen 2.741 N/A THR 92.A OG1 GLN 155.A OE1 no hydrogen 2.955 N/A LEU 93.A N LEU 154.A O no hydrogen 2.938 N/A ASN 94.A ND2 SER 153.A OG no hydrogen 2.627 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.815 N/A ALA 97.A N ASN 94.A O no hydrogen 2.850 N/A LYS 98.A N ASP 151.A OD2 no hydrogen 2.782 N/A LYS 98.A NZ ASP 151.A OD2 no hydrogen 2.886 N/A ARG 99.A N ASP 151.A O no hydrogen 3.063 N/A ARG 99.A NE ASP 203.A OD1 no hydrogen 2.750 N/A ARG 99.A NE ASP 203.A OD2 no hydrogen 3.222 N/A ARG 99.A NH1 GLU 5.A OE1 no hydrogen 2.907 N/A ARG 99.A NH2 HIS 9.A ND1 no hydrogen 2.997 N/A ARG 99.A NH2 ASP 203.A OD2 no hydrogen 2.656 N/A HIS 100.A N GLY 201.A O no hydrogen 2.723 N/A HIS 100.A NE2 LEU 93.A O no hydrogen 2.742 N/A HIS 100.A NE2 ASN 94.A O no hydrogen 2.802 N/A LEU 101.A N SER 153.A O no hydrogen 2.848 N/A VAL 102.A N LEU 204.A O no hydrogen 2.790 N/A LEU 103.A N GLN 155.A O no hydrogen 2.900 N/A ALA 104.A N VAL 206.A O no hydrogen 2.864 N/A CYS 105.A N ILE 157.A O no hydrogen 2.980 N/A TYR 107.A N PHE 159.A O no hydrogen 2.696 N/A TYR 107.A OH SER 87.A O no hydrogen 2.600 N/A SER 109.A N ARG 43.A O no hydrogen 3.043 N/A LYS 110.A NZ ALA 164.A O no hydrogen 3.026 N/A ARG 114.A NE ASP 116.A O no hydrogen 2.964 N/A ARG 114.A NH1 SER 117.A O no hydrogen 2.958 N/A ARG 118.A N ASP 116.A OD1 no hydrogen 3.042 N/A ARG 118.A NE ASP 116.A OD1 no hydrogen 3.566 N/A ARG 118.A NE ASP 116.A OD2 no hydrogen 2.779 N/A ARG 118.A NH2 ASP 116.A OD2 no hydrogen 2.801 N/A ALA 123.A N ASP 295.A O no hydrogen 3.000 N/A THR 124.A N ASP 295.A OD1 no hydrogen 2.669 N/A THR 124.A N ASP 295.A OD2 no hydrogen 3.234 N/A THR 124.A OG1 ASP 295.A OD1 no hydrogen 3.196 N/A THR 124.A OG1 ASP 295.A OD2 no hydrogen 2.801 N/A ASP 125.A N GLY 122.A O no hydrogen 2.958 N/A ALA 127.A N GLY 122.A O no hydrogen 3.029 N/A VAL 128.A N ALA 123.A O no hydrogen 2.789 N/A CYS 130.A N SER 126.A O no hydrogen 2.911 N/A CYS 130.A SG HIS 106.A O no hydrogen 3.269 N/A CYS 130.A SG SER 126.A O no hydrogen 3.199 N/A ALA 131.A N ALA 127.A O no hydrogen 2.738 N/A MET 132.A N VAL 128.A O no hydrogen 2.662 N/A MET 133.A N PRO 129.A O no hydrogen 3.051 N/A LEU 134.A N CYS 130.A O no hydrogen 2.926 N/A GLU 135.A N ALA 131.A O no hydrogen 2.681 N/A LEU 136.A N MET 132.A O no hydrogen 2.718 N/A ALA 137.A N MET 133.A O no hydrogen 2.888 N/A ARG 138.A N LEU 134.A O no hydrogen 2.912 N/A ARG 138.A NE GLU 135.A OE1 no hydrogen 2.764 N/A ARG 138.A NH2 GLY 25.A O no hydrogen 2.957 N/A ARG 138.A NH2 GLU 135.A OE1 no hydrogen 3.538 N/A ARG 138.A NH2 GLU 135.A OE2 no hydrogen 2.849 N/A ALA 139.A N GLU 135.A O no hydrogen 2.631 N/A LEU 140.A N LEU 136.A O no hydrogen 2.928 N/A ASP 141.A N ARG 138.A O no hydrogen 3.052 N/A LEU 144.A N LEU 140.A O no hydrogen 2.773 N/A HIS 145.A N ASP 141.A O no hydrogen 2.581 N/A SER 146.A N LYS 142.A O no hydrogen 3.247 N/A SER 146.A N LYS 143.A O no hydrogen 3.175 N/A SER 146.A OG LYS 143.A O no hydrogen 2.527 N/A LEU 147.A N LEU 144.A O no hydrogen 3.002 N/A LYS 148.A N HIS 145.A O no hydrogen 2.993 N/A LYS 148.A NZ ASP 149.A OD1 no hydrogen 2.858 N/A ASP 149.A N SER 146.A O no hydrogen 3.191 N/A SER 153.A N ARG 99.A O no hydrogen 2.888 N/A SER 153.A OG LEU 93.A O no hydrogen 3.252 N/A GLN 155.A N LEU 101.A O no hydrogen 2.700 N/A LEU 156.A N SER 91.A O no hydrogen 2.801 N/A ILE 157.A N LEU 103.A O no hydrogen 2.845 N/A PHE 158.A N ILE 89.A O no hydrogen 2.772 N/A PHE 159.A N CYS 105.A O no hydrogen 2.646 N/A GLU 162.A N ASP 108.A OD1 no hydrogen 3.072 N/A GLU 163.A N ASP 108.A OD2 no hydrogen 3.036 N/A PHE 165.A N ASP 172.A OD1 no hydrogen 2.803 N/A HIS 166.A N ASP 172.A OD2 no hydrogen 2.690 N/A HIS 167.A N ASP 172.A OD2 no hydrogen 3.156 N/A SER 169.A N ASP 172.A O no hydrogen 3.280 N/A ASP 172.A N SER 169.A O no hydrogen 2.964 N/A ASP 172.A N SER 169.A OG no hydrogen 2.910 N/A SER 173.A OG SER 169.A O no hydrogen 2.603 N/A LEU 174.A N GLU 162.A O no hydrogen 2.782 N/A TYR 175.A N GLY 161.A O no hydrogen 2.831 N/A TYR 175.A OH ASP 172.A OD1 no hydrogen 2.493 N/A SER 177.A OG LEU 174.A O no hydrogen 3.439 N/A SER 177.A OG ASP 267.A OD1 no hydrogen 2.690 N/A ARG 178.A N LEU 174.A O no hydrogen 2.784 N/A ARG 178.A NE SER 173.A O no hydrogen 3.011 N/A ARG 178.A NH2 SER 173.A O no hydrogen 2.817 N/A HIS 179.A N TYR 175.A O no hydrogen 3.150 N/A HIS 179.A ND1 ASP 73.A OD2 no hydrogen 2.882 N/A LEU 180.A N GLY 176.A O no hydrogen 2.817 N/A ALA 181.A N SER 177.A O no hydrogen 2.881 N/A GLN 182.A N ARG 178.A O no hydrogen 3.192 N/A LYS 183.A N HIS 179.A O no hydrogen 2.892 N/A LYS 183.A NZ ASP 73.A OD1 no hydrogen 2.930 N/A MET 184.A N LEU 180.A O no hydrogen 2.834 N/A ALA 185.A N ALA 181.A O no hydrogen 2.963 N/A SER 186.A N GLN 182.A O no hydrogen 3.029 N/A SER 186.A N LYS 183.A O no hydrogen 3.047 N/A SER 186.A OG GLN 182.A O no hydrogen 3.419 N/A SER 187.A N MET 184.A O no hydrogen 3.254 N/A SER 187.A OG LYS 183.A O no hydrogen 2.676 N/A HIS 189.A N THR 196.A O no hydrogen 2.792 N/A HIS 189.A NE2 ALA 97.A O no hydrogen 2.721 N/A SER 193.A N PRO 190.A O no hydrogen 2.921 N/A SER 193.A OG THR 196.A OG1 no hydrogen 2.140 N/A THR 196.A OG1 HIS 189.A O no hydrogen 2.571 N/A THR 196.A OG1 SER 193.A OG no hydrogen 2.140 N/A ASN 197.A N ASP 200.A OD2 no hydrogen 2.959 N/A ASN 197.A ND2 ALA 185.A O no hydrogen 3.123 N/A GLN 198.A N MET 184.A O no hydrogen 3.160 N/A GLN 198.A N SER 187.A O no hydrogen 2.887 N/A ASP 200.A N ASN 197.A OD1 no hydrogen 3.058 N/A GLY 201.A N ASN 197.A O no hydrogen 3.359 N/A MET 202.A N LEU 199.A O no hydrogen 2.957 N/A ASP 203.A N HIS 100.A O no hydrogen 2.862 N/A LEU 205.A N PRO 277.A O no hydrogen 2.768 N/A VAL 206.A N VAL 102.A O no hydrogen 2.718 N/A LEU 207.A N LEU 279.A O no hydrogen 2.871 N/A LEU 208.A N ALA 104.A O no hydrogen 2.856 N/A ASP 209.A N LEU 281.A O no hydrogen 2.839 N/A ILE 211.A N THR 124.A O no hydrogen 3.120 N/A THR 217.A OG1 SER 284.A O no hydrogen 2.583 N/A PHE 218.A N TYR 254.A O no hydrogen 2.867 N/A ASN 220.A ND2 THR 226.A OG1 no hydrogen 3.344 N/A LYS 224.A NZ GLY 275.A O no hydrogen 2.787 N/A THR 225.A N PHE 222.A O no hydrogen 3.046 N/A THR 225.A OG1 VAL 278.A O no hydrogen 2.552 N/A THR 226.A N PRO 223.A O no hydrogen 3.066 N/A THR 226.A OG1 PHE 222.A O no hydrogen 2.929 N/A THR 226.A OG1 PRO 223.A O no hydrogen 3.245 N/A THR 226.A OG1 TYR 260.A OH no hydrogen 2.687 N/A ARG 227.A NH1 HIS 9.A O no hydrogen 2.704 N/A ARG 227.A NH2 HIS 9.A O no hydrogen 3.081 N/A TRP 228.A N THR 225.A O no hydrogen 2.786 N/A PHE 229.A N THR 225.A O no hydrogen 2.905 N/A ASN 230.A N THR 226.A O no hydrogen 2.771 N/A ASN 230.A ND2 GLN 233.A OE1 no hydrogen 2.699 N/A ARG 231.A N ARG 227.A O no hydrogen 3.065 N/A ARG 231.A NH2 GLU 318.A OE1 no hydrogen 2.816 N/A LEU 232.A N TRP 228.A O no hydrogen 3.041 N/A GLN 233.A N PHE 229.A O no hydrogen 2.975 N/A GLN 233.A NE2 PHE 255.A O no hydrogen 2.998 N/A ALA 234.A N ASN 230.A O no hydrogen 2.902 N/A ILE 235.A N ARG 231.A O no hydrogen 2.883 N/A GLU 236.A N LEU 232.A O no hydrogen 2.853 N/A LYS 237.A N GLN 233.A O no hydrogen 2.892 N/A LYS 237.A NZ GLU 241.A OE2 no hydrogen 2.802 N/A GLU 238.A N ALA 234.A O no hydrogen 2.822 N/A LEU 239.A N ILE 235.A O no hydrogen 2.757 N/A TYR 240.A N GLU 236.A O no hydrogen 2.779 N/A GLU 241.A N LYS 237.A O no hydrogen 2.711 N/A LEU 242.A N GLU 238.A O no hydrogen 2.889 N/A LEU 242.A N LEU 239.A O no hydrogen 3.154 N/A GLY 243.A N TYR 240.A O no hydrogen 2.919 N/A LEU 244.A N LEU 239.A O no hydrogen 3.063 N/A LYS 246.A N ASN 307.A OD1 no hydrogen 2.768 N/A GLU 251.A N SER 249.A OG no hydrogen 3.014 N/A TYR 254.A N GLU 236.A OE2 no hydrogen 2.598 N/A PHE 255.A N GLU 236.A OE1 no hydrogen 3.022 N/A GLY 259.A N ASN 257.A OD1 no hydrogen 2.680 N/A TYR 260.A OH THR 226.A OG1 no hydrogen 2.687 N/A GLY 261.A N ASN 220.A O no hydrogen 2.985 N/A ASP 267.A N ASP 266.A OD1 no hydrogen 2.721 N/A ILE 269.A N ASP 266.A O no hydrogen 2.914 N/A LEU 272.A N HIS 268.A O no hydrogen 2.653 N/A ARG 273.A N ILE 269.A O no hydrogen 2.830 N/A LYS 274.A N PHE 271.A O no hydrogen 3.024 N/A GLY 275.A N LEU 272.A O no hydrogen 2.791 N/A VAL 276.A N PHE 271.A O no hydrogen 2.978 N/A LEU 279.A N LEU 205.A O no hydrogen 2.688 N/A HIS 280.A NE2 ASP 266.A OD2 no hydrogen 2.761 N/A LEU 281.A N LEU 207.A O no hydrogen 2.627 N/A SER 284.A N THR 217.A O no hydrogen 2.760 N/A TRP 290.A N PRO 287.A O no hydrogen 2.887 N/A HIS 291.A NE2 GLU 163.A OE2 no hydrogen 3.247 N/A THR 292.A N VAL 289.A O no hydrogen 2.836 N/A THR 292.A OG1 VAL 289.A O no hydrogen 2.635 N/A ASP 294.A N THR 292.A OG1 no hydrogen 3.092 N/A ASP 295.A N THR 292.A O no hydrogen 2.943 N/A ASN 296.A ND2 ASN 299.A OD1 no hydrogen 2.775 N/A ASN 299.A N ASN 296.A O no hydrogen 3.248 N/A LEU 300.A N GLU 297.A O no hydrogen 2.952 N/A HIS 301.A N GLY 212.A O no hydrogen 2.693 N/A HIS 301.A ND1 THR 304.A OG1 no hydrogen 2.665 N/A THR 304.A N HIS 301.A O no hydrogen 3.169 N/A THR 304.A OG1 HIS 301.A ND1 no hydrogen 2.665 N/A ILE 305.A N HIS 301.A O no hydrogen 3.280 N/A ASP 306.A N ALA 302.A O no hydrogen 2.872 N/A ASN 307.A N SER 303.A O no hydrogen 2.774 N/A ASN 307.A ND2 LYS 246.A O no hydrogen 2.759 N/A ASN 307.A ND2 TYR 254.A OH no hydrogen 3.070 N/A LEU 308.A N THR 304.A O no hydrogen 3.013 N/A ASN 309.A N ILE 305.A O no hydrogen 2.598 N/A LYS 310.A N ASP 306.A O no hydrogen 2.913 N/A LYS 310.A NZ LEU 244.A O no hydrogen 2.839 N/A ILE 311.A N ASN 307.A O no hydrogen 2.896 N/A ILE 312.A N LEU 308.A O no hydrogen 2.790 N/A GLN 313.A N ASN 309.A O no hydrogen 2.899 N/A GLN 313.A NE2 THR 26.A OG1 no hydrogen 3.077 N/A VAL 314.A N LYS 310.A O no hydrogen 2.908 N/A PHE 315.A N ILE 311.A O no hydrogen 2.895 N/A VAL 316.A N ILE 312.A O no hydrogen 2.816 N/A LEU 317.A N GLN 313.A O no hydrogen 2.900 N/A GLU 318.A N VAL 314.A O no hydrogen 2.782 N/A TYR 319.A N PHE 315.A O no hydrogen 2.739 N/A TYR 319.A OH ASP 203.A OD2 no hydrogen 2.404 N/A LEU 320.A N VAL 316.A O no hydrogen 2.899 N/A HIS 321.A N GLU 318.A O no hydrogen 3.180 N/A HIS 321.A NE2 GLN 10.A O no hydrogen 2.663 N/A LEU 322.A N LEU 317.A O no hydrogen 2.811 N/A