Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LYS 26.A O no hydrogen 2.893 N/A TYR 4.A N THR 53.A O no hydrogen 2.912 N/A THR 5.A N VAL 28.A O no hydrogen 2.878 N/A THR 5.A OG1 VAL 28.A O no hydrogen 3.198 N/A TYR 11.A OH ASN 98.A OD1 no hydrogen 2.631 N/A SER 12.A N ASP 9.A OD2 no hydrogen 2.635 N/A SER 12.A OG ASP 9.A OD2 no hydrogen 2.739 N/A ASP 13.A N ASP 9.A O no hydrogen 2.994 N/A ILE 14.A N ILE 10.A O no hydrogen 2.885 N/A VAL 15.A N TYR 11.A O no hydrogen 2.922 N/A ARG 16.A N SER 12.A O no hydrogen 2.842 N/A ARG 16.A NH2 THR 191.A O no hydrogen 2.564 N/A LEU 18.A N VAL 15.A O no hydrogen 2.898 N/A LEU 19.A N ARG 16.A O no hydrogen 2.916 N/A LYS 21.A N ILE 17.A O no hydrogen 2.877 N/A LYS 21.A NZ GLU 72.A OE2 no hydrogen 2.927 N/A LYS 21.A NZ TYR 75.A O no hydrogen 3.119 N/A LYS 21.A NZ PRO 76.A O no hydrogen 3.356 N/A LYS 21.A NZ PRO 78.A O no hydrogen 2.547 N/A GLY 22.A N LEU 19.A O no hydrogen 3.176 N/A VAL 28.A N LEU 3.A O no hydrogen 2.908 N/A VAL 30.A N THR 5.A O no hydrogen 2.681 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.140 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.288 N/A LYS 32.A N ASP 29.A O no hydrogen 3.251 N/A ASN 35.A N LYS 32.A O no hydrogen 3.267 N/A ASN 35.A ND2 ASP 29.A O no hydrogen 2.904 N/A SER 36.A N GLU 33.A O no hydrogen 2.942 N/A SER 36.A OG GLU 33.A O no hydrogen 3.133 N/A LEU 39.A N ASN 35.A O no hydrogen 3.081 N/A GLU 40.A N SER 36.A O no hydrogen 2.973 N/A GLU 41.A N LYS 37.A O no hydrogen 2.995 N/A LEU 42.A N HIS 38.A O no hydrogen 2.833 N/A ASN 43.A N LEU 39.A O no hydrogen 2.970 N/A ILE 44.A N GLU 40.A O no hydrogen 3.250 N/A ILE 44.A N GLU 41.A O no hydrogen 2.937 N/A ILE 45.A N GLU 41.A O no hydrogen 3.203 N/A THR 46.A OG1 ASN 50.A OD1 no hydrogen 3.078 N/A ASN 48.A N ASN 50.A OD1 no hydrogen 3.024 N/A THR 53.A N TYR 4.A O no hydrogen 3.255 N/A THR 53.A OG1 ASN 50.A O no hydrogen 2.598 N/A LEU 54.A N VAL 61.A O no hydrogen 2.951 N/A SER 55.A N LEU 2.A O no hydrogen 2.873 N/A THR 56.A N PHE 59.A O no hydrogen 2.889 N/A VAL 61.A N LEU 54.A O no hydrogen 3.041 N/A ILE 67.A N ARG 63.A O no hydrogen 2.674 N/A ILE 68.A N LEU 64.A O no hydrogen 2.898 N/A GLU 69.A N SER 65.A O no hydrogen 2.916 N/A ALA 70.A N VAL 66.A O no hydrogen 2.925 N/A ILE 71.A N ILE 67.A O no hydrogen 2.919 N/A GLU 72.A N ILE 68.A O no hydrogen 2.933 N/A ASP 73.A N GLU 69.A O no hydrogen 2.872 N/A LEU 74.A N ALA 70.A O no hydrogen 2.965 N/A TYR 75.A N ILE 71.A O no hydrogen 2.770 N/A TYR 75.A N GLU 72.A O no hydrogen 3.097 N/A ARG 87.A N PHE 83.A O no hydrogen 2.987 N/A ALA 88.A N PRO 84.A O no hydrogen 2.871 N/A ASN 89.A N LYS 85.A O no hydrogen 2.999 N/A ALA 90.A N GLN 86.A O no hydrogen 2.916 N/A ARG 91.A N ARG 87.A O no hydrogen 2.985 N/A ILE 92.A N ALA 88.A O no hydrogen 3.011 N/A LEU 93.A N ASN 89.A O no hydrogen 2.874 N/A LEU 94.A N ALA 90.A O no hydrogen 2.872 N/A GLU 95.A N ARG 91.A O no hydrogen 2.980 N/A TYR 96.A N ILE 92.A O no hydrogen 2.931 N/A TYR 96.A OH ASP 126.A OD2 no hydrogen 2.729 N/A VAL 97.A N LEU 93.A O no hydrogen 2.931 N/A ASN 98.A N LEU 94.A O no hydrogen 2.881 N/A ASN 98.A ND2 GLU 95.A OE1 no hydrogen 3.401 N/A LYS 99.A N GLU 95.A O no hydrogen 2.900 N/A THR 100.A N TYR 96.A O no hydrogen 2.896 N/A THR 100.A OG1 TYR 96.A O no hydrogen 2.886 N/A PHE 101.A N VAL 97.A O no hydrogen 2.865 N/A LEU 102.A N VAL 97.A O no hydrogen 3.118 N/A GLN 103.A N ASN 98.A O no hydrogen 2.973 N/A ASN 104.A ND2 THR 100.A O no hydrogen 2.686 N/A ILE 105.A N PHE 101.A O no hydrogen 2.749 N/A ILE 106.A N LEU 102.A O no hydrogen 2.987 N/A LYS 107.A N GLN 103.A O no hydrogen 2.903 N/A LEU 108.A N ASN 104.A O no hydrogen 2.856 N/A GLN 109.A N ILE 105.A O no hydrogen 3.018 N/A GLN 109.A N ILE 106.A O no hydrogen 3.128 N/A SER 110.A N LYS 107.A O no hydrogen 3.006 N/A SER 110.A OG ASP 112.A OD1 no hydrogen 2.419 N/A LEU 113.A N SER 110.A O no hydrogen 3.108 N/A LYS 116.A N ASP 114.A OD1 no hydrogen 2.813 N/A LYS 116.A NZ GLU 120.A OE2 no hydrogen 2.725 N/A ALA 118.A N ASP 114.A O no hydrogen 3.065 N/A ASN 119.A N GLU 115.A O no hydrogen 2.967 N/A GLU 120.A N LYS 116.A O no hydrogen 2.945 N/A ILE 121.A N GLN 117.A O no hydrogen 2.881 N/A LYS 122.A N ALA 118.A O no hydrogen 2.941 N/A ASP 126.A N LEU 123.A O no hydrogen 3.059 N/A SER 129.A OG ASP 126.A O no hydrogen 3.208 N/A THR 130.A N ASP 126.A O no hydrogen 3.001 N/A THR 130.A OG1 ASP 126.A O no hydrogen 3.168 N/A THR 130.A OG1 ASP 126.A OD2 no hydrogen 2.691 N/A TYR 131.A N ILE 127.A O no hydrogen 2.925 N/A TYR 131.A OH GLU 178.A OE1 no hydrogen 2.642 N/A LYS 132.A N ILE 128.A O no hydrogen 2.901 N/A LYS 133.A N SER 129.A O no hydrogen 2.895 N/A ILE 134.A N THR 130.A O no hydrogen 2.955 N/A VAL 135.A N TYR 131.A O no hydrogen 2.982 N/A SER 136.A N LYS 132.A O no hydrogen 2.870 N/A GLU 137.A N LYS 133.A O no hydrogen 2.923 N/A ARG 138.A N ILE 134.A O no hydrogen 2.930 N/A ARG 138.A NH1 THR 151.A OG1 no hydrogen 3.170 N/A GLU 139.A N VAL 135.A O no hydrogen 2.921 N/A VAL 140.A N SER 136.A O no hydrogen 2.905 N/A THR 151.A OG1 ASN 148.A OD1 no hydrogen 2.838 N/A LEU 152.A N ASN 148.A O no hydrogen 3.161 N/A ILE 153.A N VAL 149.A O no hydrogen 2.912 N/A ILE 154.A N LEU 150.A O no hydrogen 2.920 N/A THR 155.A N THR 151.A O no hydrogen 2.927 N/A THR 155.A OG1 THR 151.A O no hydrogen 2.818 N/A PHE 156.A N LEU 152.A O no hydrogen 3.062 N/A VAL 157.A N ILE 153.A O no hydrogen 2.873 N/A PHE 158.A N ILE 154.A O no hydrogen 2.970 N/A TYR 159.A N THR 155.A O no hydrogen 2.931 N/A TYR 160.A N PHE 156.A O no hydrogen 2.920 N/A TYR 160.A OH ASP 13.A OD2 no hydrogen 2.769 N/A PHE 161.A N VAL 157.A O no hydrogen 2.879 N/A ILE 162.A N PHE 158.A O no hydrogen 2.969 N/A LYS 163.A N TYR 159.A O no hydrogen 2.938 N/A LYS 163.A NZ ASP 8.A OD1 no hydrogen 2.455 N/A LEU 164.A N TYR 160.A O no hydrogen 2.937 N/A LYS 165.A N ILE 162.A O no hydrogen 2.962 N/A ILE 166.A N PHE 161.A O no hydrogen 2.769 N/A THR 170.A N ILE 168.A O no hydrogen 2.803 N/A ASP 172.A N THR 170.A OG1 no hydrogen 3.277 N/A ASN 174.A N ASP 172.A OD1 no hydrogen 3.180 N/A ILE 176.A N ASP 172.A O no hydrogen 2.981 N/A LYS 177.A N LYS 173.A O no hydrogen 2.960 N/A GLU 178.A N ASN 174.A O no hydrogen 2.903 N/A ILE 179.A N ILE 175.A O no hydrogen 2.882 N/A LYS 180.A N ILE 176.A O no hydrogen 2.936 N/A GLU 181.A N LYS 177.A O no hydrogen 2.935 N/A LEU 182.A N GLU 178.A O no hydrogen 2.885 N/A LEU 183.A N ILE 179.A O no hydrogen 2.879 N/A SER 184.A N LYS 180.A O no hydrogen 2.950 N/A SER 184.A OG LYS 180.A O no hydrogen 2.815 N/A ILE 189.A N GLU 185.A O no hydrogen 3.131 N/A LYS 190.A N PRO 186.A O no hydrogen 2.875 N/A THR 191.A N ASN 187.A O no hydrogen 2.947 N/A THR 191.A OG1 ASN 187.A O no hydrogen 2.490 N/A ILE 192.A N PHE 188.A O no hydrogen 2.924 N/A LYS 193.A N ILE 189.A O no hydrogen 2.971 N/A