Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ASN 2.A OD1 no hydrogen 2.844 N/A MET 6.A N ASN 2.A O no hydrogen 2.885 N/A LEU 7.A N ILE 3.A O no hydrogen 2.948 N/A ARG 8.A N PHE 4.A O no hydrogen 2.922 N/A ILE 9.A N GLU 5.A O no hydrogen 3.012 N/A ASP 10.A N MET 6.A O no hydrogen 3.034 N/A GLU 11.A N LEU 7.A O no hydrogen 2.846 N/A GLY 12.A N ARG 8.A O no hydrogen 2.978 N/A ARG 14.A N GLY 28.A O no hydrogen 3.011 N/A TYR 18.A N THR 26.A O no hydrogen 2.769 N/A ASP 20.A N TYR 24.A O no hydrogen 2.948 N/A GLU 22.A N ASP 20.A OD1 no hydrogen 3.216 N/A GLY 23.A N ASP 20.A O no hydrogen 3.021 N/A TYR 24.A N ASP 20.A OD1 no hydrogen 2.691 N/A TYR 25.A OH PRO 37.A O no hydrogen 2.835 N/A THR 26.A N TYR 18.A O no hydrogen 2.855 N/A THR 26.A OG1 TYR 24.A O no hydrogen 3.107 N/A ILE 27.A N HIS 31.A O no hydrogen 3.009 N/A HIS 31.A N ILE 27.A O no hydrogen 2.861 N/A HIS 31.A ND1 ASP 70.A OD2 no hydrogen 2.631 N/A LEU 33.A N TYR 25.A O no hydrogen 2.741 N/A SER 36.A N THR 34.A OG1 no hydrogen 2.808 N/A ASP 38.A N SER 36.A OG no hydrogen 3.205 N/A ASN 40.A N ASP 38.A OD2 no hydrogen 2.987 N/A ALA 41.A N ASP 38.A O no hydrogen 3.058 N/A ALA 42.A N ASP 38.A O no hydrogen 3.333 N/A LYS 43.A N LEU 39.A O no hydrogen 2.982 N/A SER 44.A N ASN 40.A O no hydrogen 3.025 N/A SER 44.A OG ALA 41.A O no hydrogen 3.325 N/A GLU 45.A N ALA 41.A O no hydrogen 3.053 N/A LEU 46.A N ALA 42.A O no hydrogen 2.822 N/A ASP 47.A N LYS 43.A O no hydrogen 3.207 N/A LYS 48.A N SER 44.A O no hydrogen 2.868 N/A LYS 48.A NZ GLU 45.A OE1 no hydrogen 3.452 N/A ALA 49.A N GLU 45.A O no hydrogen 2.814 N/A ILE 50.A N LEU 46.A O no hydrogen 3.037 N/A GLY 51.A N ASP 47.A O no hydrogen 2.840 N/A ARG 52.A NE GLU 62.A OE2 no hydrogen 2.635 N/A ARG 52.A NH2 GLU 62.A OE1 no hydrogen 2.581 N/A ARG 52.A NH2 GLU 62.A OE2 no hydrogen 3.072 N/A CYS 54.A N ASP 47.A OD1 no hydrogen 2.871 N/A CYS 54.A SG ARG 52.A O no hydrogen 3.618 N/A VAL 57.A N CYS 54.A O no hydrogen 3.142 N/A ILE 58.A N LEU 15.A O no hydrogen 3.060 N/A THR 59.A N GLU 62.A OE1 no hydrogen 2.841 N/A LYS 60.A NZ GLU 64.A OE1 no hydrogen 3.515 N/A LYS 60.A NZ GLU 64.A OE2 no hydrogen 2.484 N/A GLU 62.A N THR 59.A OG1 no hydrogen 3.078 N/A ALA 63.A N THR 59.A O no hydrogen 2.889 N/A GLU 64.A N LYS 60.A O no hydrogen 2.936 N/A LYS 65.A N ASP 61.A O no hydrogen 3.013 N/A LEU 66.A N GLU 62.A O no hydrogen 3.002 N/A PHE 67.A N ALA 63.A O no hydrogen 2.814 N/A ASN 68.A N GLU 64.A O no hydrogen 3.012 N/A GLN 69.A N LYS 65.A O no hydrogen 3.012 N/A ASP 70.A N LEU 66.A O no hydrogen 2.865 N/A VAL 71.A N PHE 67.A O no hydrogen 2.982 N/A ASP 72.A N ASN 68.A O no hydrogen 3.014 N/A ALA 73.A N GLN 69.A O no hydrogen 2.838 N/A ALA 74.A N ASP 70.A O no hydrogen 2.972 N/A VAL 75.A N VAL 71.A O no hydrogen 3.073 N/A ARG 76.A N ASP 72.A O no hydrogen 2.902 N/A ARG 76.A NE.B ASP 72.A OD2 no hydrogen 3.030 N/A GLY 77.A N ALA 73.A O no hydrogen 2.853 N/A ILE 78.A N ALA 74.A O no hydrogen 3.010 N/A LEU 79.A N VAL 75.A O no hydrogen 3.066 N/A ARG 80.A N ARG 76.A O no hydrogen 3.027 N/A ASN 81.A N ILE 78.A O no hydrogen 3.197 N/A LYS 83.A N ASN 81.A OD1 no hydrogen 2.914 N/A LEU 84.A N ASN 81.A OD1 no hydrogen 2.954 N/A LYS 85.A N ASN 81.A O no hydrogen 2.940 N/A LYS 85.A NZ ASP 89.A OD2 no hydrogen 2.733 N/A TYR 88.A N LEU 84.A O no hydrogen 2.839 N/A ASP 89.A N LYS 85.A O no hydrogen 2.846 N/A SER 90.A N PRO 86.A O no hydrogen 3.136 N/A SER 90.A N VAL 87.A O no hydrogen 2.990 N/A SER 90.A OG VAL 87.A O no hydrogen 2.660 N/A LEU 91.A N TYR 88.A O no hydrogen 2.968 N/A ARG 95.A N ASP 92.A OD2 no hydrogen 3.042 N/A ARG 95.A NE PHE 152.A O no hydrogen 2.734 N/A ARG 95.A NH1 ASP 92.A OD1 no hydrogen 2.859 N/A ARG 95.A NH2 ARG 153.A O no hydrogen 3.119 N/A ARG 96.A N ASP 92.A O no hydrogen 2.888 N/A ARG 96.A NE LEU 91.A O no hydrogen 2.924 N/A ARG 96.A NH2 ASP 89.A O no hydrogen 2.852 N/A ALA 98.A N ARG 95.A O no hydrogen 2.927 N/A ILE 99.A N ARG 96.A O no hydrogen 2.917 N/A ASN 100.A ND2 ASP 10.A OD2 no hydrogen 2.842 N/A GLU 101.A N ALA 97.A O no hydrogen 2.912 N/A VAL 102.A N ALA 98.A O no hydrogen 3.102 N/A PHE 103.A N ILE 99.A O no hydrogen 2.830 N/A GLN 104.A N ASN 100.A O no hydrogen 2.901 N/A GLN 104.A NE2 ASN 100.A OD1 no hydrogen 2.791 N/A GLN 104.A NE2 ARG 144.A O no hydrogen 2.804 N/A MET 105.A N GLU 101.A O no hydrogen 2.906 N/A GLY 106.A N VAL 102.A O no hydrogen 2.766 N/A VAL 110.A N GLY 106.A O no hydrogen 3.136 N/A ALA 111.A N VAL 107.A O no hydrogen 2.818 N/A GLY 112.A N THR 108.A O no hydrogen 3.188 N/A GLY 112.A N GLY 109.A O no hydrogen 3.369 N/A PHE 113.A N VAL 110.A O no hydrogen 3.193 N/A THR 114.A N GLY 112.A O no hydrogen 2.902 N/A THR 114.A OG1 GLY 112.A O no hydrogen 3.425 N/A LEU 117.A N PHE 113.A O no hydrogen 3.065 N/A ARG 118.A N THR 114.A O no hydrogen 3.145 N/A MET 119.A N ASN 115.A O no hydrogen 2.863 N/A LEU 120.A N VAL 116.A O no hydrogen 2.885 N/A GLN 121.A N LEU 117.A O no hydrogen 2.942 N/A GLN 122.A N ARG 118.A O no hydrogen 3.023 N/A LYS 123.A N LEU 120.A O no hydrogen 2.968 N/A LYS 123.A NZ SER 90.A O no hydrogen 2.953 N/A ARG 124.A N MET 119.A O no hydrogen 2.804 N/A ALA 128.A N ARG 124.A O no hydrogen 2.838 N/A ALA 129.A N TRP 125.A O no hydrogen 2.930 N/A VAL 130.A N ASP 126.A O no hydrogen 2.905 N/A ASN 131.A N GLU 127.A O no hydrogen 2.939 N/A ASN 131.A ND2 GLU 127.A O no hydrogen 2.823 N/A LEU 132.A N ALA 128.A O no hydrogen 2.918 N/A ALA 133.A N ALA 129.A O no hydrogen 3.132 N/A LYS 134.A N ASN 131.A O no hydrogen 3.109 N/A SER 135.A N LEU 132.A O no hydrogen 3.171 N/A SER 135.A OG LEU 132.A O no hydrogen 2.523 N/A TRP 137.A NE1 GLN 104.A OE1 no hydrogen 2.921 N/A TYR 138.A N SER 135.A OG no hydrogen 3.245 N/A ASN 139.A N SER 135.A O no hydrogen 3.166 N/A ASN 139.A ND2 SER 135.A O no hydrogen 2.700 N/A GLN 140.A N ARG 136.A O no hydrogen 2.810 N/A GLN 140.A NE2 CYS 21.A O no hydrogen 2.993 N/A CYS 141.A N TRP 137.A O no hydrogen 2.693 N/A ALA 145.A N CYS 141.A O no hydrogen 2.834 N/A LYS 146.A N PRO 142.A O no hydrogen 2.920 N/A ARG 147.A NE ASP 10.A OD1 no hydrogen 2.875 N/A ARG 147.A NH2 ASP 10.A OD1 no hydrogen 2.875 N/A ILE 149.A N ALA 145.A O no hydrogen 3.075 N/A THR 150.A N LYS 146.A O no hydrogen 3.130 N/A THR 150.A OG1 LYS 146.A O no hydrogen 3.129 N/A THR 151.A N ARG 147.A O no hydrogen 2.926 N/A THR 151.A OG1 ARG 147.A O no hydrogen 2.700 N/A PHE 152.A N VAL 148.A O no hydrogen 3.003 N/A ARG 153.A N ILE 149.A O no hydrogen 3.044 N/A ARG 153.A NE ASP 126.A OD1 no hydrogen 2.686 N/A THR 154.A N THR 150.A O no hydrogen 2.893 N/A THR 154.A OG1 THR 150.A O no hydrogen 3.288 N/A THR 154.A OG1 THR 156.A OG1 no hydrogen 3.403 N/A GLY 155.A N THR 151.A O no hydrogen 2.837 N/A THR 156.A N THR 154.A OG1 no hydrogen 3.266 N/A THR 156.A OG1 THR 154.A OG1 no hydrogen 3.403 N/A ASP 158.A N THR 156.A OG1 no hydrogen 3.214 N/A TYR 160.A N TRP 157.A O no hydrogen 2.981 N/A TYR 160.A OH ASP 10.A OD1 no hydrogen 3.426 N/A TYR 160.A OH ASP 10.A OD2 no hydrogen 2.552 N/A LYS 161.A N ASP 158.A O no hydrogen 3.224 N/A