Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ej3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 SER 3.A O no hydrogen 3.357 N/A ASN 7.A N ASP 4.A O no hydrogen 3.001 N/A ASN 7.A ND2 ASP 4.A OD1 no hydrogen 2.952 N/A ARG 9.A N ASN 7.A OD1 no hydrogen 2.837 N/A ARG 9.A NH1 GLU 179.A OE2 no hydrogen 3.413 N/A ARG 9.A NH2 GLU 179.A OE1 no hydrogen 2.516 N/A TRP 10.A N ASN 7.A O no hydrogen 2.644 N/A TRP 10.A NE1 TRP 171.A O no hydrogen 3.127 N/A ILE 11.A N ASN 7.A O no hydrogen 3.202 N/A GLY 12.A N PRO 8.A O no hydrogen 2.850 N/A ARG 13.A N ARG 9.A O no hydrogen 3.023 N/A ARG 13.A NE PRO 187.A OXT no hydrogen 2.574 N/A ARG 13.A NH1 PHE 170.A O no hydrogen 2.801 N/A ARG 13.A NH2 GLU 179.A OE1 no hydrogen 3.296 N/A ARG 13.A NH2 PRO 187.A O no hydrogen 3.003 N/A HIS 14.A N TRP 10.A O no hydrogen 3.356 N/A HIS 14.A NE2 TRP 171.A O no hydrogen 3.130 N/A LYS 15.A N ILE 11.A O no hydrogen 2.793 N/A HIS 16.A N GLY 12.A O no hydrogen 3.006 N/A MET 17.A N ARG 13.A O no hydrogen 3.172 N/A PHE 18.A N HIS 14.A O no hydrogen 2.838 N/A ASN 19.A N LYS 15.A O no hydrogen 2.982 N/A PHE 20.A N HIS 16.A O no hydrogen 2.897 N/A LEU 21.A N MET 17.A O no hydrogen 2.870 N/A ASP 22.A N PHE 18.A O no hydrogen 2.908 N/A HIS 25.A N ASP 22.A O no hydrogen 2.892 N/A ASN 26.A N ASP 22.A OD1 no hydrogen 2.898 N/A GLY 27.A N ASP 22.A OD2 no hydrogen 2.874 N/A LYS 28.A NZ GLU 74.A OE1 no hydrogen 2.517 N/A ILE 29.A N THR 75.A O no hydrogen 2.986 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.762 N/A SER 30.A OG ASP 32.A OD1 no hydrogen 3.407 N/A MET 34.A N SER 30.A O no hydrogen 3.301 N/A VAL 35.A N LEU 31.A O no hydrogen 3.014 N/A TYR 36.A N ASP 32.A O no hydrogen 3.006 N/A TYR 36.A OH ASP 40.A OD2 no hydrogen 3.367 N/A LYS 37.A N GLU 33.A O no hydrogen 2.845 N/A LYS 37.A NZ ALA 134.A O no hydrogen 2.751 N/A ALA 38.A N MET 34.A O no hydrogen 2.973 N/A SER 39.A N VAL 35.A O no hydrogen 3.195 N/A SER 39.A OG VAL 35.A O no hydrogen 3.223 N/A ASP 40.A N TYR 36.A O no hydrogen 2.840 N/A ILE 41.A N LYS 37.A O no hydrogen 3.150 N/A VAL 42.A N ALA 38.A O no hydrogen 3.302 N/A ILE 43.A N SER 39.A O no hydrogen 2.959 N/A ASN 44.A N ASP 40.A O no hydrogen 2.816 N/A ASN 45.A N ILE 41.A O no hydrogen 2.888 N/A LEU 46.A N ILE 41.A O no hydrogen 3.074 N/A ALA 48.A N VAL 42.A O no hydrogen 3.030 N/A THR 49.A N GLN 52.A OE1 no hydrogen 2.946 N/A GLN 52.A N THR 49.A OG1 no hydrogen 3.164 N/A GLN 52.A NE2 ASP 112.A OD1 no hydrogen 3.224 N/A ALA 53.A N THR 49.A O no hydrogen 2.783 N/A LYS 54.A N PRO 50.A O no hydrogen 2.947 N/A LYS 54.A NZ ASP 58.A OD1 no hydrogen 2.710 N/A LYS 54.A NZ ASP 58.A OD2 no hydrogen 3.125 N/A ARG 55.A N GLU 51.A O no hydrogen 3.117 N/A HIS 56.A N GLN 52.A O no hydrogen 2.967 N/A LYS 57.A N ALA 53.A O no hydrogen 2.741 N/A ASP 58.A N LYS 54.A O no hydrogen 2.934 N/A ALA 59.A N ARG 55.A O no hydrogen 3.177 N/A VAL 60.A N HIS 56.A O no hydrogen 3.043 N/A GLU 61.A N LYS 57.A O no hydrogen 2.774 N/A ALA 62.A N ASP 58.A O no hydrogen 3.076 N/A PHE 63.A N ALA 59.A O no hydrogen 2.943 N/A PHE 64.A N VAL 60.A O no hydrogen 3.106 N/A GLY 65.A N GLU 61.A O no hydrogen 2.958 N/A GLY 66.A N ALA 62.A O no hydrogen 2.814 N/A GLY 66.A N PHE 63.A O no hydrogen 2.998 N/A ALA 67.A N PHE 64.A O no hydrogen 3.207 N/A GLY 68.A N GLY 65.A O no hydrogen 2.823 N/A MET 69.A N PHE 64.A O no hydrogen 2.946 N/A TYR 71.A OH GLU 61.A OE2 no hydrogen 2.522 N/A GLY 72.A N ASP 32.A OD1 no hydrogen 2.870 N/A THR 75.A N ILE 29.A O no hydrogen 2.772 N/A ALA 79.A N ASP 76.A OD2 no hydrogen 2.972 N/A TYR 80.A N ASP 76.A O no hydrogen 2.889 N/A ILE 81.A N TRP 77.A O no hydrogen 2.926 N/A GLU 82.A N PRO 78.A O no hydrogen 3.069 N/A GLY 83.A N ALA 79.A O no hydrogen 2.691 N/A TRP 84.A N TYR 80.A O no hydrogen 2.813 N/A TRP 84.A NE1 TYR 80.A OH no hydrogen 2.959 N/A LYS 85.A N ILE 81.A O no hydrogen 3.276 N/A LYS 85.A N GLU 82.A O no hydrogen 3.000 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 2.992 N/A LEU 87.A N GLY 83.A O no hydrogen 3.075 N/A ALA 88.A N TRP 84.A O no hydrogen 2.893 N/A THR 89.A N LYS 85.A O no hydrogen 3.024 N/A ASP 90.A N LYS 86.A O no hydrogen 2.898 N/A GLU 91.A N LEU 87.A O no hydrogen 2.817 N/A LEU 92.A N ALA 88.A O no hydrogen 2.947 N/A GLU 93.A N THR 89.A O no hydrogen 2.826 N/A LYS 94.A N ASP 90.A O no hydrogen 2.997 N/A TYR 95.A N GLU 91.A O no hydrogen 2.954 N/A ALA 96.A N LEU 92.A O no hydrogen 3.022 N/A LYS 97.A N GLU 93.A O no hydrogen 3.308 N/A LYS 97.A N LYS 94.A O no hydrogen 3.015 N/A ASN 98.A N TYR 95.A O no hydrogen 2.916 N/A GLU 99.A N LYS 94.A O no hydrogen 2.789 N/A LEU 102.A N GLU 91.A OE1 no hydrogen 2.725 N/A ILE 103.A N GLU 91.A OE2 no hydrogen 2.894 N/A ARG 104.A N THR 101.A OG1 no hydrogen 3.123 N/A ARG 104.A NE ASP 108.A OD1 no hydrogen 3.477 N/A ARG 104.A NE ASP 108.A OD2 no hydrogen 3.394 N/A ARG 104.A NH2 ASP 161.A OD1 no hydrogen 2.522 N/A ILE 105.A N THR 101.A O no hydrogen 2.997 N/A TRP 106.A N LEU 102.A O no hydrogen 3.086 N/A TRP 106.A NE1 HIS 56.A NE2 no hydrogen 2.919 N/A GLY 107.A N ILE 103.A O no hydrogen 2.997 N/A ASP 108.A N ARG 104.A O no hydrogen 3.047 N/A ALA 109.A N ILE 105.A O no hydrogen 3.122 N/A LEU 110.A N TRP 106.A O no hydrogen 2.779 N/A PHE 111.A N GLY 107.A O no hydrogen 2.737 N/A ASP 112.A N ASP 108.A O no hydrogen 3.217 N/A ILE 113.A N LEU 110.A O no hydrogen 2.945 N/A VAL 114.A N LEU 110.A O no hydrogen 2.856 N/A ASP 115.A N PHE 111.A O no hydrogen 2.773 N/A LYS 116.A N GLU 126.A OE2 no hydrogen 2.924 N/A ASP 117.A N ASP 115.A OD1 no hydrogen 2.890 N/A GLN 118.A N ASP 115.A O no hydrogen 2.804 N/A GLN 118.A NE2 ASP 112.A OD2 no hydrogen 2.866 N/A ASN 119.A N ASP 115.A OD2 no hydrogen 2.472 N/A ALA 121.A N ASP 115.A OD2 no hydrogen 3.317 N/A ILE 122.A N LEU 158.A O no hydrogen 2.921 N/A THR 123.A N GLU 126.A OE1 no hydrogen 2.610 N/A GLU 126.A N THR 123.A OG1 no hydrogen 3.244 N/A TRP 127.A N THR 123.A O no hydrogen 2.866 N/A TRP 127.A NE1 THR 146.A OG1 no hydrogen 2.941 N/A LYS 128.A N LEU 124.A O no hydrogen 2.903 N/A ALA 129.A N ASP 125.A O no hydrogen 2.932 N/A TYR 130.A N GLU 126.A O no hydrogen 2.992 N/A THR 131.A N TRP 127.A O no hydrogen 2.868 N/A THR 131.A OG1 TRP 127.A O no hydrogen 2.761 N/A THR 131.A OG1 LYS 128.A O no hydrogen 3.195 N/A LYS 132.A N LYS 128.A O no hydrogen 2.865 N/A LYS 132.A NZ SER 140.A OG no hydrogen 2.755 N/A ALA 133.A N ALA 129.A O no hydrogen 3.151 N/A ALA 134.A N TYR 130.A O no hydrogen 2.914 N/A GLY 135.A N THR 131.A O no hydrogen 2.762 N/A GLN 138.A NE2 GLY 135.A O no hydrogen 2.999 N/A SER 139.A OG ASP 142.A OD2 no hydrogen 3.208 N/A ASP 142.A N SER 139.A O no hydrogen 3.009 N/A CYS 143.A N SER 139.A O no hydrogen 3.352 N/A CYS 143.A SG THR 131.A OG1 no hydrogen 3.340 N/A CYS 143.A SG SER 139.A O no hydrogen 3.514 N/A GLU 144.A N SER 140.A O no hydrogen 3.110 N/A GLU 145.A N GLU 141.A O no hydrogen 3.396 N/A THR 146.A N ASP 142.A O no hydrogen 3.410 N/A THR 146.A OG1 ASP 142.A O no hydrogen 3.469 N/A THR 146.A OG1 CYS 143.A O no hydrogen 3.337 N/A THR 146.A OG1 LEU 181.A O no hydrogen 2.750 N/A ARG 148.A N GLU 144.A O no hydrogen 2.880 N/A ARG 148.A NH1 GLU 145.A OE2 no hydrogen 2.935 N/A VAL 149.A N GLU 145.A O no hydrogen 2.800 N/A CYS 150.A N THR 146.A O no hydrogen 2.884 N/A CYS 150.A SG THR 146.A O no hydrogen 3.231 N/A ILE 152.A N PHE 147.A O no hydrogen 2.944 N/A GLY 156.A N ASP 153.A O no hydrogen 2.708 N/A LEU 158.A N ILE 122.A O no hydrogen 2.746 N/A VAL 160.A N GLY 120.A O no hydrogen 2.940 N/A ASP 161.A N ASP 159.A OD2 no hydrogen 2.577 N/A GLU 162.A N ASP 159.A OD1 no hydrogen 3.026 N/A MET 163.A N ASP 159.A O no hydrogen 2.923 N/A THR 164.A N VAL 160.A O no hydrogen 2.811 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.617 N/A ARG 165.A N ASP 161.A O no hydrogen 3.196 N/A GLN 166.A N GLU 162.A O no hydrogen 3.084 N/A GLN 166.A NE2 GLU 162.A OE1 no hydrogen 2.662 N/A HIS 167.A N MET 163.A O no hydrogen 2.819 N/A HIS 167.A NE2 TYR 182.A OH no hydrogen 2.564 N/A LEU 168.A N THR 164.A O no hydrogen 2.979 N/A GLY 169.A N ARG 165.A O no hydrogen 3.411 N/A PHE 170.A N GLN 166.A O no hydrogen 2.791 N/A TRP 171.A N HIS 167.A O no hydrogen 2.849 N/A TYR 172.A N LEU 168.A O no hydrogen 3.110 N/A TYR 172.A OH GLU 91.A OE2 no hydrogen 2.615 N/A THR 173.A N LEU 168.A O no hydrogen 3.058 N/A ASP 175.A N GLY 169.A O no hydrogen 2.908 N/A ALA 177.A N ASP 175.A OD1 no hydrogen 3.243 N/A CYS 178.A N ASP 175.A O no hydrogen 2.816 N/A CYS 178.A SG GLN 166.A O no hydrogen 3.640 N/A CYS 178.A SG GLN 166.A OE1 no hydrogen 3.535 N/A CYS 178.A SG ASP 175.A OD2 no hydrogen 3.484 N/A GLU 179.A N PRO 176.A O no hydrogen 3.388 N/A LEU 181.A N CYS 178.A O no hydrogen 3.184 N/A TYR 182.A OH HIS 167.A NE2 no hydrogen 2.564 N/A GLY 183.A N LYS 180.A O no hydrogen 2.795 N/A GLY 184.A N ASP 142.A OD1 no hydrogen 2.499 N/A ALA 185.A N TYR 182.A O no hydrogen 2.994 N/A