Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASN 1.A O no hydrogen 2.482 N/A ILE 6.A N LEU 2.A O no hydrogen 3.043 N/A LEU 7.A N LYS 3.A O no hydrogen 3.015 N/A GLY 8.A N ASP 4.A O no hydrogen 2.615 N/A VAL 9.A N LYS 5.A O no hydrogen 3.247 N/A ALA 10.A N ILE 6.A O no hydrogen 2.800 N/A LYS 11.A N LEU 7.A O no hydrogen 2.830 N/A LYS 11.A NZ GLU 56.A OE1 no hydrogen 3.437 N/A LYS 11.A NZ GLU 56.A OE2 no hydrogen 2.958 N/A GLU 12.A N GLY 8.A O no hydrogen 3.185 N/A LEU 13.A N VAL 9.A O no hydrogen 3.009 N/A PHE 14.A N ALA 10.A O no hydrogen 3.020 N/A ILE 15.A N LYS 11.A O no hydrogen 3.017 N/A LYS 16.A N GLU 12.A O no hydrogen 2.857 N/A ASN 17.A N LEU 13.A O no hydrogen 2.534 N/A GLY 18.A N PHE 14.A O no hydrogen 2.735 N/A ASN 20.A N GLU 100.A OE1 no hydrogen 2.555 N/A THR 22.A OG1 GLY 18.A O no hydrogen 2.830 N/A THR 23.A N GLU 26.A OE1 no hydrogen 2.895 N/A GLU 26.A N THR 23.A OG1 no hydrogen 2.947 N/A ILE 27.A N THR 23.A O no hydrogen 3.455 N/A VAL 28.A N THR 24.A O no hydrogen 2.886 N/A LYS 29.A N GLY 25.A O no hydrogen 2.965 N/A LEU 30.A N GLU 26.A O no hydrogen 2.776 N/A SER 31.A N ILE 27.A O no hydrogen 3.002 N/A SER 31.A OG ILE 27.A O no hydrogen 2.511 N/A SER 31.A OG VAL 28.A O no hydrogen 3.210 N/A GLU 32.A N LYS 29.A O no hydrogen 2.655 N/A SER 33.A N VAL 28.A O no hydrogen 2.865 N/A SER 33.A OG SER 34.A O no hydrogen 3.415 N/A SER 33.A OG ASN 37.A OD1 no hydrogen 3.098 N/A SER 34.A N SER 33.A OG no hydrogen 2.523 N/A ASN 37.A N SER 34.A OG no hydrogen 3.341 N/A ASN 37.A ND2 HIS 41.A NE2 no hydrogen 3.331 N/A LEU 38.A N SER 34.A O no hydrogen 2.885 N/A TYR 39.A N LYS 35.A O no hydrogen 2.896 N/A TYR 40.A N GLY 36.A O no hydrogen 2.970 N/A HIS 41.A N ASN 37.A O no hydrogen 3.050 N/A PHE 42.A N LEU 38.A O no hydrogen 2.969 N/A LYS 43.A N TYR 39.A O no hydrogen 2.692 N/A THR 44.A N PHE 42.A O no hydrogen 2.718 N/A LYS 45.A NZ TYR 19.A O no hydrogen 2.718 N/A LYS 45.A NZ THR 22.A O no hydrogen 2.809 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.712 N/A ASN 47.A N THR 44.A OG1 no hydrogen 3.185 N/A LEU 48.A N THR 44.A O no hydrogen 3.171 N/A PHE 49.A N LYS 45.A O no hydrogen 2.733 N/A LEU 50.A N GLU 46.A O no hydrogen 2.946 N/A GLU 51.A N ASN 47.A O no hydrogen 2.618 N/A ILE 52.A N LEU 48.A O no hydrogen 2.913 N/A LEU 53.A N PHE 49.A O no hydrogen 3.049 N/A ASN 54.A N LEU 50.A O no hydrogen 3.119 N/A ILE 55.A N GLU 51.A O no hydrogen 3.252 N/A GLU 56.A N ILE 52.A O no hydrogen 2.772 N/A GLN 57.A N LEU 53.A O no hydrogen 2.735 N/A SER 58.A N ASN 54.A O no hydrogen 3.041 N/A SER 58.A OG ASN 54.A O no hydrogen 3.331 N/A LYS 59.A N ILE 55.A O no hydrogen 2.996 N/A LYS 59.A NZ GLU 56.A OE2 no hydrogen 3.508 N/A TRP 60.A N GLU 56.A O no hydrogen 2.817 N/A GLN 61.A N GLN 57.A O no hydrogen 2.871 N/A GLN 61.A NE2 LYS 121.A O no hydrogen 3.370 N/A GLU 62.A N SER 58.A O no hydrogen 3.130 N/A GLN 63.A N LYS 59.A O no hydrogen 2.895 N/A TRP 64.A N TRP 60.A O no hydrogen 2.751 N/A LYS 65.A N GLN 61.A O no hydrogen 3.042 N/A LYS 66.A N GLU 62.A O no hydrogen 3.003 N/A GLU 67.A N GLN 63.A O no hydrogen 2.887 N/A GLU 67.A N TRP 64.A O no hydrogen 3.293 N/A GLN 68.A N TRP 64.A O no hydrogen 2.939 N/A GLN 68.A NE2 TRP 64.A O no hydrogen 3.411 N/A LYS 70.A N GLU 67.A O no hydrogen 2.924 N/A LYS 70.A NZ GLU 67.A OE1 no hydrogen 3.400 N/A ALA 71.A N GLN 68.A O no hydrogen 2.708 N/A THR 73.A N GLU 76.A OE1 no hydrogen 2.687 N/A ASN 74.A N GLU 138.A OE1 no hydrogen 2.760 N/A ASN 74.A ND2 GLU 138.A OE1 no hydrogen 2.938 N/A ARG 75.A N GLU 138.A OE2 no hydrogen 2.923 N/A GLU 76.A N THR 73.A O no hydrogen 2.792 N/A GLU 76.A N THR 73.A OG1 no hydrogen 3.308 N/A LYS 77.A N THR 73.A O no hydrogen 2.950 N/A LYS 77.A NZ ALA 71.A O no hydrogen 2.899 N/A LYS 77.A NZ LYS 72.A O no hydrogen 3.218 N/A PHE 78.A N ASN 74.A O no hydrogen 3.077 N/A LEU 80.A N GLU 76.A O no hydrogen 2.731 N/A TYR 81.A N LYS 77.A O no hydrogen 2.798 N/A ASN 82.A N PHE 78.A O no hydrogen 3.158 N/A GLU 83.A N TYR 79.A O no hydrogen 2.994 N/A LEU 84.A N LEU 80.A O no hydrogen 2.853 N/A SER 85.A N TYR 81.A O no hydrogen 2.858 N/A SER 85.A OG TYR 81.A O no hydrogen 2.643 N/A SER 85.A OG ASN 82.A O no hydrogen 3.488 N/A LEU 86.A N ASN 82.A O no hydrogen 3.220 N/A LEU 86.A N GLU 83.A O no hydrogen 2.785 N/A THR 87.A N GLU 83.A O no hydrogen 2.914 N/A THR 87.A OG1 GLU 83.A O no hydrogen 3.400 N/A THR 87.A OG1 LEU 84.A O no hydrogen 3.463 N/A THR 88.A N LEU 84.A O no hydrogen 3.134 N/A THR 88.A OG1 LEU 84.A O no hydrogen 2.869 N/A TYR 90.A N LEU 86.A O no hydrogen 3.256 N/A TYR 90.A N THR 87.A O no hydrogen 2.926 N/A TYR 91.A N THR 88.A O no hydrogen 3.220 N/A TYR 92.A N GLU 89.A O no hydrogen 3.124 N/A TYR 92.A OH GLU 56.A OE1 no hydrogen 2.649 N/A GLN 95.A N TYR 92.A O no hydrogen 3.230 N/A ASN 96.A ND2 PRO 93.A O no hydrogen 3.429 N/A ILE 98.A N LEU 94.A O no hydrogen 2.881 N/A ILE 99.A N GLN 95.A O no hydrogen 2.950 N/A GLU 100.A N ASN 96.A O no hydrogen 3.218 N/A PHE 101.A N ALA 97.A O no hydrogen 3.009 N/A TYR 102.A N ILE 98.A O no hydrogen 2.655 N/A THR 103.A N ILE 99.A O no hydrogen 2.992 N/A THR 103.A OG1 ILE 99.A O no hydrogen 2.808 N/A GLU 104.A N TYR 102.A O no hydrogen 2.594 N/A TYR 105.A N TYR 102.A O no hydrogen 2.991 N/A GLU 113.A N SER 110.A O no hydrogen 2.981 N/A MET 115.A N ILE 111.A O no hydrogen 3.233 N/A ASN 116.A N ASN 112.A O no hydrogen 3.069 N/A ASN 116.A N GLU 113.A O no hydrogen 2.868 N/A LEU 118.A N LYS 114.A O no hydrogen 3.255 N/A GLU 119.A N MET 115.A O no hydrogen 3.378 N/A ASN 120.A N ASN 116.A O no hydrogen 2.991 N/A LYS 121.A N LYS 117.A O no hydrogen 3.188 N/A LYS 121.A N LEU 118.A O no hydrogen 2.703 N/A TYR 122.A N LEU 118.A O no hydrogen 3.311 N/A TYR 122.A N GLU 119.A O no hydrogen 2.611 N/A ILE 123.A N GLU 119.A O no hydrogen 2.989 N/A ILE 123.A N ASN 120.A O no hydrogen 3.008 N/A ASP 124.A N ASN 120.A O no hydrogen 2.780 N/A TYR 126.A N ILE 123.A O no hydrogen 2.840 N/A HIS 127.A N ILE 123.A O no hydrogen 3.203 N/A VAL 128.A N ASP 124.A O no hydrogen 2.812 N/A ILE 129.A N ALA 125.A O no hydrogen 3.173 N/A PHE 130.A N TYR 126.A O no hydrogen 2.753 N/A LYS 131.A N HIS 127.A O no hydrogen 2.821 N/A GLU 132.A N VAL 128.A O no hydrogen 3.033 N/A GLY 133.A N PHE 130.A O no hydrogen 2.924 N/A ASN 134.A N PHE 130.A O no hydrogen 3.042 N/A ASN 134.A ND2 TRP 139.A O no hydrogen 3.071 N/A LEU 135.A N LYS 131.A O no hydrogen 3.076 N/A ASN 136.A N GLY 133.A O no hydrogen 3.250 N/A GLY 137.A N ASN 134.A O no hydrogen 2.617 N/A GLU 138.A N GLY 133.A O no hydrogen 2.727 N/A TRP 139.A NE1 PHE 130.A O no hydrogen 2.867 N/A ASP 143.A N ASP 143.A OD1 no hydrogen 2.428 N/A ALA 146.A N ASP 143.A O no hydrogen 2.802 N/A VAL 147.A N ASP 143.A O no hydrogen 3.258 N/A SER 148.A N VAL 144.A O no hydrogen 3.088 N/A SER 148.A OG VAL 144.A O no hydrogen 2.754 N/A LYS 149.A N ASN 145.A O no hydrogen 3.360 N/A ILE 150.A N ALA 146.A O no hydrogen 2.882 N/A ALA 151.A N VAL 147.A O no hydrogen 2.671 N/A ALA 152.A N SER 148.A O no hydrogen 2.897 N/A ASN 153.A N LYS 149.A O no hydrogen 3.141 N/A ASN 153.A ND2 LYS 149.A O no hydrogen 3.033 N/A ALA 154.A N ILE 150.A O no hydrogen 2.779 N/A ALA 154.A N ALA 151.A O no hydrogen 3.015 N/A VAL 155.A N ALA 151.A O no hydrogen 2.783 N/A ASN 156.A N ALA 152.A O no hydrogen 2.999 N/A GLY 157.A N ASN 153.A O no hydrogen 3.078 N/A ILE 158.A N ALA 154.A O no hydrogen 2.994 N/A VAL 159.A N VAL 155.A O no hydrogen 2.939 N/A VAL 159.A N ASN 156.A O no hydrogen 3.165 N/A THR 160.A N ASN 156.A O no hydrogen 2.961 N/A THR 160.A OG1 ASN 156.A O no hydrogen 3.384 N/A PHE 161.A N GLY 157.A O no hydrogen 2.977 N/A THR 162.A OG1 ILE 158.A O no hydrogen 2.504 N/A GLU 169.A N ASN 166.A O no hydrogen 2.632 N/A ARG 170.A N ASN 166.A O no hydrogen 3.387 N/A ARG 170.A NE GLN 165.A O no hydrogen 3.205 N/A ARG 170.A NH1 HIS 163.A ND1 no hydrogen 3.238 N/A ILE 171.A N ILE 167.A O no hydrogen 3.493 N/A LYS 172.A N ASN 168.A O no hydrogen 3.444 N/A LEU 173.A N GLU 169.A O no hydrogen 2.793 N/A MET 174.A N ARG 170.A O no hydrogen 2.781 N/A ASN 175.A N ILE 171.A O no hydrogen 2.688 N/A ASN 175.A ND2 ILE 171.A O no hydrogen 2.854 N/A LYS 176.A N LYS 172.A O no hydrogen 2.803 N/A LYS 176.A N LEU 173.A O no hydrogen 3.242 N/A PHE 177.A N LEU 173.A O no hydrogen 2.982 N/A SER 178.A N MET 174.A O no hydrogen 2.837 N/A SER 178.A OG ASN 82.A OD1 no hydrogen 2.787 N/A SER 178.A OG MET 174.A O no hydrogen 3.440 N/A GLN 179.A N ASN 175.A O no hydrogen 3.065 N/A ILE 180.A N LYS 176.A O no hydrogen 3.077 N/A PHE 181.A N PHE 177.A O no hydrogen 2.864 N/A LEU 182.A N SER 178.A O no hydrogen 3.089 N/A ASN 183.A N GLN 179.A O no hydrogen 2.945 N/A ASN 183.A N ILE 180.A O no hydrogen 2.802 N/A GLY 184.A N ILE 180.A O no hydrogen 3.029 N/A GLY 184.A N PHE 181.A O no hydrogen 2.863 N/A