Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 SER 58.A O no hydrogen 3.315 N/A THR 1.A OG1 ASN 59.A OD1 no hydrogen 3.378 N/A ALA 5.A N ASP 2.A O no hydrogen 2.786 N/A CYS 6.A N ILE 3.A O no hydrogen 2.982 N/A CYS 6.A SG THR 1.A O no hydrogen 3.859 N/A CYS 6.A SG THR 1.A OG1 no hydrogen 3.377 N/A CYS 6.A SG ASP 2.A O no hydrogen 3.262 N/A SER 7.A N ASN 59.A O no hydrogen 2.891 N/A ILE 8.A N LEU 38.A O no hydrogen 2.744 N/A ASN 9.A N VAL 61.A O no hydrogen 3.000 N/A ILE 10.A N GLU 40.A O no hydrogen 2.796 N/A PHE 11.A N LEU 63.A O no hydrogen 2.796 N/A TYR 12.A N LEU 42.A O no hydrogen 2.995 N/A TYR 12.A OH GLN 20.A OE1 no hydrogen 2.776 N/A GLY 17.A N THR 14.A OG1 no hydrogen 2.812 N/A LYS 21.A N GLY 17.A O no hydrogen 3.410 N/A PHE 22.A N SER 18.A O no hydrogen 2.901 N/A ALA 23.A N THR 19.A O no hydrogen 2.825 N/A GLU 24.A N GLN 20.A O no hydrogen 2.974 N/A HIS 25.A N LYS 21.A O no hydrogen 3.128 N/A HIS 25.A NE2 GLU 157.A OE2 no hydrogen 2.659 N/A VAL 26.A N PHE 22.A O no hydrogen 2.952 N/A ALA 27.A N ALA 23.A O no hydrogen 2.950 N/A ASP 28.A N GLU 24.A O no hydrogen 2.926 N/A ARG 29.A N HIS 25.A O no hydrogen 2.991 N/A ARG 29.A NE ASP 161.A OD1 no hydrogen 3.026 N/A ARG 29.A NH2 ASP 161.A OD1 no hydrogen 3.461 N/A ARG 29.A NH2 ASP 161.A OD2 no hydrogen 2.781 N/A ILE 30.A N VAL 26.A O no hydrogen 2.966 N/A ARG 31.A N ALA 27.A O no hydrogen 2.902 N/A ARG 31.A NH1 ASP 28.A OD1 no hydrogen 2.670 N/A ARG 31.A NH2 VAL 39.A O no hydrogen 3.453 N/A SER 32.A N.A ASP 28.A O no hydrogen 3.066 N/A SER 32.A N.B ASP 28.A O no hydrogen 3.010 N/A SER 32.A OG.A ASP 28.A O no hydrogen 3.277 N/A SER 33.A N ARG 29.A O no hydrogen 2.910 N/A LEU 34.A N ILE 30.A O no hydrogen 2.960 N/A GLN 35.A N SER 32.A O.B no hydrogen 3.127 N/A GLN 35.A NE2 SER 32.A O.A no hydrogen 2.754 N/A GLN 35.A NE2 SER 32.A O.B no hydrogen 2.660 N/A THR 36.A N ARG 31.A O no hydrogen 3.172 N/A LEU 38.A N THR 36.A OG1 no hydrogen 2.817 N/A GLU 40.A N ILE 8.A O no hydrogen 2.862 N/A LEU 42.A N ILE 10.A O no hydrogen 2.798 N/A LEU 44.A N TYR 12.A O no hydrogen 2.802 N/A ASP 45.A N ASN 43.A OD1 no hydrogen 3.074 N/A TYR 46.A N ASN 43.A O no hydrogen 2.972 N/A GLU 51.A N ASP 48.A O no hydrogen 3.202 N/A TYR 52.A N LEU 49.A O no hydrogen 3.120 N/A PHE 53.A N LEU 49.A O no hydrogen 2.807 N/A SER 54.A N ASP 50.A O no hydrogen 2.968 N/A LYS 55.A NZ GLU 51.A O no hydrogen 3.055 N/A LYS 55.A NZ GLU 51.A OE1 no hydrogen 2.731 N/A THR 60.A N ASN 57.A O no hydrogen 3.283 N/A VAL 61.A N SER 7.A O no hydrogen 2.993 N/A TYR 62.A N GLY 101.A O no hydrogen 3.006 N/A TYR 62.A OH TYR 52.A O no hydrogen 2.469 N/A LEU 63.A N ASN 9.A O no hydrogen 2.794 N/A VAL 64.A N ALA 103.A O no hydrogen 2.909 N/A LEU 65.A N PHE 11.A O no hydrogen 2.788 N/A LEU 66.A N LEU 105.A O no hydrogen 3.011 N/A SER 68.A N PHE 107.A O no hydrogen 3.275 N/A TYR 69.A N GLN 121.A OE1 no hydrogen 2.841 N/A SER 73.A N ASP 76.A OD2 no hydrogen 2.789 N/A SER 74.A OG ASP 45.A OD1 no hydrogen 3.006 N/A SER 74.A OG ASP 45.A OD2 no hydrogen 2.950 N/A ILE 75.A N SER 73.A OG no hydrogen 3.158 N/A ASP 76.A N SER 73.A O no hydrogen 3.123 N/A PHE 78.A N SER 74.A O no hydrogen 3.139 N/A LEU 79.A N ILE 75.A O no hydrogen 2.992 N/A SER 80.A N ASP 76.A O no hydrogen 2.939 N/A SER 80.A OG ASP 76.A O no hydrogen 2.848 N/A ALA 81.A N TYR 77.A O no hydrogen 2.922 N/A LEU 82.A N PHE 78.A O no hydrogen 3.149 N/A GLN 83.A N LEU 79.A O no hydrogen 3.141 N/A GLN 83.A NE2 ASP 87.A OD2 no hydrogen 2.928 N/A THR 84.A N SER 80.A O no hydrogen 2.866 N/A THR 84.A OG1 SER 80.A O no hydrogen 3.145 N/A THR 85.A N ALA 81.A O no hydrogen 3.148 N/A THR 85.A OG1 ALA 81.A O no hydrogen 2.712 N/A ILE 86.A N LEU 82.A O no hydrogen 3.026 N/A ASP 87.A N GLN 83.A O no hydrogen 2.958 N/A ASP 87.A N THR 84.A O no hydrogen 3.234 N/A ASP 88.A N THR 84.A O no hydrogen 2.697 N/A ILE 91.A N ASP 88.A O no hydrogen 3.131 N/A LEU 96.A N LEU 132.A O no hydrogen 2.910 N/A GLU 97.A N ARG 94.A O no hydrogen 3.129 N/A LYS 98.A NZ GLY 56.A O no hydrogen 3.430 N/A LEU 99.A N LEU 96.A O no hydrogen 2.998 N/A ARG 100.A N THR 60.A O no hydrogen 2.905 N/A ARG 100.A NE THR 1.A O no hydrogen 2.952 N/A ARG 100.A NH1 ARG 100.A O no hydrogen 3.439 N/A PHE 102.A N GLN 135.A O no hydrogen 2.940 N/A ALA 103.A N TYR 62.A O no hydrogen 3.104 N/A LEU 105.A N VAL 64.A O no hydrogen 2.925 N/A GLY 106.A N GLY 141.A O no hydrogen 2.899 N/A PHE 107.A N LEU 66.A O no hydrogen 2.990 N/A GLY 108.A N VAL 143.A O no hydrogen 3.018 N/A PHE 110.A N ASN 144.A OD1 no hydrogen 3.115 N/A GLN 112.A N ASP 109.A OD1 no hydrogen 3.050 N/A TYR 113.A N ASP 109.A O no hydrogen 2.905 N/A ALA 114.A N PHE 110.A O no hydrogen 3.006 N/A PHE 118.A N GLY 115.A O no hydrogen 3.289 N/A TYR 120.A N LEU 117.A O no hydrogen 3.078 N/A TYR 120.A OH TYR 69.A O no hydrogen 2.601 N/A GLN 121.A N SER 68.A OG no hydrogen 2.851 N/A ILE 123.A N CYS 119.A O no hydrogen 3.008 N/A ALA 124.A N TYR 120.A O no hydrogen 3.079 N/A ALA 125.A N GLN 121.A O no hydrogen 2.989 N/A ASP 126.A N ALA 122.A O no hydrogen 3.072 N/A GLN 127.A N ILE 123.A O no hydrogen 3.133 N/A ARG 128.A N ALA 124.A O no hydrogen 2.949 N/A ARG 128.A NH1 LEU 79.A O no hydrogen 2.894 N/A LEU 129.A N ALA 125.A O no hydrogen 2.874 N/A ALA 130.A N ASP 126.A O no hydrogen 3.346 N/A LYS 131.A N GLN 127.A O no hydrogen 3.102 N/A LEU 132.A N ARG 128.A O no hydrogen 2.940 N/A LEU 132.A N LEU 129.A O no hydrogen 3.072 N/A GLY 133.A N ALA 130.A O no hydrogen 3.081 N/A ALA 134.A N LEU 129.A O no hydrogen 3.295 N/A ARG 136.A NE ASP 126.A OD1 no hydrogen 3.151 N/A ARG 136.A NE ASP 126.A OD2 no hydrogen 3.234 N/A ARG 136.A NH2 ASP 126.A O no hydrogen 3.236 N/A ARG 136.A NH2 ASP 126.A OD2 no hydrogen 3.043 N/A ILE 137.A N PHE 102.A O no hydrogen 2.846 N/A GLY 141.A N VAL 104.A O no hydrogen 3.100 N/A VAL 143.A N GLY 106.A O no hydrogen 2.831 N/A VAL 145.A N GLY 108.A O no hydrogen 2.925 N/A LYS 146.A N ASN 144.A OD1 no hydrogen 3.139 N/A LEU 147.A N ASN 144.A O no hydrogen 3.212 N/A GLN 151.A N GLU 148.A O no hydrogen 2.877 N/A VAL 152.A N GLU 148.A O no hydrogen 3.100 N/A TYR 153.A N LYS 149.A O no hydrogen 2.978 N/A GLU 154.A N ALA 150.A O no hydrogen 2.916 N/A ALA 155.A N GLN 151.A O no hydrogen 2.904 N/A MET 156.A N VAL 152.A O no hydrogen 3.216 N/A GLU 157.A N TYR 153.A O no hydrogen 3.016 N/A ALA 158.A N GLU 154.A O no hydrogen 2.946 N/A TRP 159.A N ALA 155.A O no hydrogen 3.117 N/A THR 160.A N MET 156.A O no hydrogen 2.957 N/A THR 160.A OG1 MET 156.A O no hydrogen 2.693 N/A ASP 161.A N GLU 157.A O no hydrogen 3.031 N/A LEU 162.A N ALA 158.A O no hydrogen 2.869 N/A PHE 163.A N TRP 159.A O no hydrogen 2.915 N/A LEU 164.A N THR 160.A O no hydrogen 2.980 N/A GLN 165.A N ASP 161.A O no hydrogen 2.930 N/A TYR 166.A N LEU 162.A O no hydrogen 2.898 N/A ALA 167.A N PHE 163.A O no hydrogen 2.967 N/A LYS 168.A N LEU 164.A O no hydrogen 3.168 N/A LYS 168.A N GLN 165.A O no hydrogen 3.060 N/A GLU 169.A N GLN 165.A O no hydrogen 3.159 N/A