Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3it6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 HIS 173.A ND1 no hydrogen 2.773 N/A ARG 3.A N HIS 171.A O no hydrogen 2.796 N/A LEU 5.A N ALA 169.A O no hydrogen 2.770 N/A THR 11.A OG1 GLY 146.A O no hydrogen 3.483 N/A THR 11.A OG1 GLY 147.A O no hydrogen 2.947 N/A ALA 12.A N GLY 9.A O no hydrogen 3.318 N/A ARG 17.A N PHE 37.A O no hydrogen 2.885 N/A ARG 17.A NE GLU 39.A OE2 no hydrogen 2.410 N/A ALA 18.A N HIS 145.A O no hydrogen 2.865 N/A ALA 19.A N LEU 35.A O no hydrogen 3.058 N/A VAL 21.A N LEU 33.A O no hydrogen 2.926 N/A ALA 23.A N ASP 32.A OD1 no hydrogen 2.790 N/A LYS 26.A N ASP 32.A OD2 no hydrogen 2.891 N/A LYS 26.A NZ LEU 31.A O no hydrogen 3.039 N/A LYS 26.A NZ MET 159.A O no hydrogen 2.578 N/A GLY 29.A N LYS 26.A O no hydrogen 2.889 N/A ASP 32.A N VAL 21.A O no hydrogen 3.037 N/A LEU 33.A N VAL 21.A O no hydrogen 3.118 N/A ALA 34.A N LEU 76.A O no hydrogen 2.728 N/A LEU 35.A N ALA 19.A O no hydrogen 2.978 N/A VAL 36.A N VAL 74.A O no hydrogen 2.909 N/A PHE 37.A N ARG 17.A O no hydrogen 2.735 N/A ASN 38.A N ARG 72.A O no hydrogen 2.764 N/A GLU 39.A N GLY 15.A O no hydrogen 2.711 N/A GLY 40.A N ASN 38.A OD1 no hydrogen 2.887 N/A TYR 43.A OH GLU 39.A O no hydrogen 3.329 N/A ALA 45.A N GLY 69.A O no hydrogen 2.988 N/A PHE 49.A N ALA 193.A O no hydrogen 2.754 N/A ARG 51.A N SER 191.A O no hydrogen 2.833 N/A ASN 52.A N THR 50.A OG1 no hydrogen 3.329 N/A VAL 54.A N ASN 52.A OD1 no hydrogen 2.926 N/A LYS 55.A NZ THR 50.A O no hydrogen 3.257 N/A LYS 55.A NZ ASN 52.A O no hydrogen 2.873 N/A ALA 57.A N ASN 82.A O no hydrogen 3.303 N/A LEU 60.A N ALA 56.A O no hydrogen 3.049 N/A TRP 61.A N ALA 57.A O no hydrogen 2.877 N/A TRP 61.A NE1 VAL 116.A O no hydrogen 2.922 N/A THR 62.A N PRO 58.A O no hydrogen 2.930 N/A THR 62.A OG1 PRO 58.A O no hydrogen 3.037 N/A THR 62.A OG1 VAL 118.A O no hydrogen 2.706 N/A GLN 63.A N VAL 59.A O no hydrogen 2.951 N/A GLN 64.A NE2 LEU 60.A O no hydrogen 3.092 N/A VAL 65.A N TRP 61.A O no hydrogen 3.043 N/A LEU 66.A N THR 62.A O no hydrogen 2.946 N/A THR 67.A N GLN 64.A O no hydrogen 3.162 N/A THR 67.A OG1 GLN 64.A O no hydrogen 2.696 N/A THR 68.A N VAL 65.A O no hydrogen 3.349 N/A THR 68.A OG1 VAL 65.A O no hydrogen 2.893 N/A THR 68.A OG1 ARG 70.A O no hydrogen 3.378 N/A GLY 69.A N LEU 66.A O no hydrogen 3.001 N/A ARG 70.A N THR 68.A OG1 no hydrogen 3.139 N/A LEU 71.A N TYR 43.A O no hydrogen 2.965 N/A ARG 72.A N GLU 115.A O no hydrogen 2.806 N/A ARG 72.A NE GLU 115.A OE1 no hydrogen 3.460 N/A ARG 72.A NH2 GLU 115.A OE1 no hydrogen 3.436 N/A ARG 72.A NH2 GLU 115.A OE2 no hydrogen 3.366 N/A ALA 73.A N GLU 115.A O no hydrogen 3.315 N/A VAL 74.A N VAL 36.A O no hydrogen 2.877 N/A ILE 75.A N ALA 117.A O no hydrogen 2.782 N/A LEU 76.A N ALA 34.A O no hydrogen 2.867 N/A ASN 77.A N CYS 119.A O no hydrogen 3.078 N/A ASN 77.A ND2 SER 78.A O no hydrogen 2.915 N/A ASN 77.A ND2 GLY 80.A O no hydrogen 3.131 N/A SER 78.A N ASP 32.A O no hydrogen 2.817 N/A SER 78.A OG ASP 32.A O no hydrogen 3.531 N/A SER 78.A OG ALA 157.A O no hydrogen 2.628 N/A SER 78.A OG MET 159.A O no hydrogen 3.367 N/A GLY 80.A N THR 121.A O no hydrogen 2.860 N/A ALA 81.A N LEU 123.A O no hydrogen 3.084 N/A ASN 82.A ND2 GLY 89.A O no hydrogen 3.039 N/A THR 85.A OG1 ASN 82.A OD1 no hydrogen 2.665 N/A GLY 89.A N THR 85.A O no hydrogen 2.945 N/A PHE 90.A N GLY 86.A O no hydrogen 2.998 N/A ALA 91.A N PRO 87.A O no hydrogen 2.879 N/A ASP 92.A N ALA 88.A O no hydrogen 2.989 N/A THR 93.A N GLY 89.A O no hydrogen 3.209 N/A THR 93.A OG1 GLY 89.A O no hydrogen 3.564 N/A HIS 94.A N PHE 90.A O no hydrogen 3.013 N/A ALA 95.A N ALA 91.A O no hydrogen 2.979 N/A THR 96.A N ASP 92.A O no hydrogen 3.046 N/A THR 96.A OG1 ASP 92.A O no hydrogen 2.873 N/A ALA 97.A N THR 93.A O no hydrogen 3.044 N/A GLU 98.A N HIS 94.A O no hydrogen 2.932 N/A ALA 99.A N ALA 95.A O no hydrogen 2.834 N/A VAL 100.A N THR 96.A O no hydrogen 2.911 N/A ALA 101.A N ALA 97.A O no hydrogen 2.835 N/A ALA 102.A N GLU 98.A O no hydrogen 2.939 N/A ALA 103.A N ALA 99.A O no hydrogen 2.799 N/A LEU 104.A N VAL 100.A O no hydrogen 3.055 N/A SER 105.A N ALA 101.A O no hydrogen 3.029 N/A SER 105.A OG ALA 101.A O no hydrogen 2.663 N/A ASP 106.A N ALA 102.A O no hydrogen 2.977 N/A TRP 107.A N ALA 103.A O no hydrogen 2.920 N/A GLY 108.A N LEU 104.A O no hydrogen 3.085 N/A THR 109.A N LEU 104.A O no hydrogen 2.953 N/A THR 111.A N SER 105.A OG no hydrogen 3.213 N/A THR 111.A OG1 THR 109.A O no hydrogen 3.017 N/A GLY 112.A N GLU 115.A OE1 no hydrogen 3.051 N/A GLU 115.A N GLY 112.A O no hydrogen 2.873 N/A VAL 116.A N ALA 113.A O no hydrogen 2.867 N/A ALA 117.A N ALA 73.A O no hydrogen 2.869 N/A VAL 118.A N THR 62.A OG1 no hydrogen 3.039 N/A CYS 119.A N ILE 75.A O no hydrogen 2.820 N/A SER 120.A OG ASN 77.A OD1 no hydrogen 2.756 N/A THR 121.A N ASN 77.A O no hydrogen 2.970 N/A GLY 125.A N ALA 83.A O no hydrogen 2.984 N/A ARG 127.A NE ASP 92.A OD2 no hydrogen 3.312 N/A ARG 127.A NH2 ASP 92.A OD2 no hydrogen 2.638 N/A LEU 133.A N PRO 129.A O no hydrogen 3.009 N/A LEU 134.A N MET 130.A O no hydrogen 2.716 N/A ALA 135.A N ASP 131.A O no hydrogen 3.159 N/A GLY 136.A N LYS 132.A O no hydrogen 2.942 N/A VAL 137.A N LEU 133.A O no hydrogen 2.922 N/A ALA 138.A N LEU 134.A O no hydrogen 3.440 N/A HIS 139.A N ALA 135.A O no hydrogen 3.186 N/A VAL 140.A N GLY 136.A O no hydrogen 2.790 N/A VAL 141.A N VAL 137.A O no hydrogen 3.221 N/A HIS 142.A N HIS 139.A O no hydrogen 3.080 N/A GLU 143.A N VAL 140.A O no hydrogen 3.266 N/A HIS 145.A N ALA 18.A O no hydrogen 3.353 N/A HIS 145.A ND1 GLU 143.A O no hydrogen 3.254 N/A GLY 150.A N GLY 147.A O no hydrogen 2.862 N/A ASP 152.A N LEU 148.A O no hydrogen 3.073 N/A GLU 153.A N VAL 149.A O no hydrogen 3.064 N/A ALA 154.A N GLY 150.A O no hydrogen 3.127 N/A ALA 155.A N GLY 151.A O no hydrogen 2.859 N/A HIS 156.A N ASP 152.A O no hydrogen 2.877 N/A ALA 157.A N GLU 153.A O no hydrogen 2.819 N/A MET 159.A N HIS 156.A O no hydrogen 3.201 N/A THR 160.A N ASP 162.A OD1 no hydrogen 3.217 N/A THR 161.A N THR 160.A OG1 no hydrogen 2.578 N/A LYS 166.A NZ ASP 162.A OD2 no hydrogen 2.546 N/A LYS 166.A NZ VAL 164.A O no hydrogen 3.237 N/A GLN 167.A NE2 ASP 152.A OD1 no hydrogen 3.045 N/A VAL 168.A N GLY 180.A O no hydrogen 3.037 N/A ALA 169.A N LEU 5.A O no hydrogen 2.942 N/A LEU 170.A N VAL 178.A O no hydrogen 2.787 N/A HIS 171.A N ARG 3.A O no hydrogen 2.695 N/A HIS 171.A ND1 THR 177.A OG1 no hydrogen 3.049 N/A HIS 171.A NE2 GLN 8.A OE1 no hydrogen 2.678 N/A HIS 172.A N TRP 176.A O no hydrogen 2.987 N/A HIS 173.A N THR 2.A OG1 no hydrogen 2.978 N/A HIS 173.A ND1 THR 2.A OG1 no hydrogen 2.773 N/A ASP 174.A N HIS 172.A ND1 no hydrogen 2.976 N/A ASN 175.A N HIS 172.A O no hydrogen 2.853 N/A THR 177.A OG1 HIS 171.A ND1 no hydrogen 3.049 N/A VAL 178.A N LEU 170.A O no hydrogen 2.984 N/A GLY 180.A N VAL 168.A O no hydrogen 2.885 N/A ALA 182.A N LYS 166.A O no hydrogen 2.964 N/A LYS 183.A NZ THR 121.A OG1 no hydrogen 2.699 N/A LYS 183.A NZ THR 160.A OG1 no hydrogen 3.137 N/A GLY 184.A N ASP 162.A OD2 no hydrogen 2.629 N/A ALA 193.A N PHE 49.A O no hydrogen 2.853 N/A