Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4crc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N TYR 134.A O no hydrogen 2.842 N/A ILE 1.A N ASP 187.A OD2 no hydrogen 2.646 N/A VAL 2.A N ASP 182.A O no hydrogen 2.776 N/A THR 5.A N LYS 147.A O no hydrogen 2.883 N/A SER 7.A N LEU 145.A O no hydrogen 2.811 N/A SER 7.A OG LEU 145.A O no hydrogen 3.135 N/A VAL 8.A N GLU 11.A OE2 no hydrogen 2.610 N/A ARG 9.A NH2 GLU 66.A OE2 no hydrogen 2.756 N/A GLU 11.A N VAL 8.A O no hydrogen 3.233 N/A TRP 14.A NE1 SER 193B.A OG no hydrogen 2.994 N/A GLN 15.A N TRP 12.A O no hydrogen 2.951 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.122 N/A VAL 16.A N GLY 31.A O no hydrogen 2.977 N/A THR 17.A N TYR 58.A O no hydrogen 3.122 N/A THR 17.A OG1 HIS 27.A ND1 no hydrogen 2.705 N/A LEU 18.A N CYS 29.A O no hydrogen 2.885 N/A HIS 19.A N ARG 56.A O no hydrogen 2.725 N/A HIS 19.A NE2 GLN 64.A OE1 no hydrogen 3.047 N/A THR 20.A N ARG 26D.A O no hydrogen 3.047 N/A THR 20.A OG1 SER 22.A O no hydrogen 3.520 N/A THR 21.A N ILE 54.A O no hydrogen 2.821 N/A THR 21.A OG1 ILE 54.A O no hydrogen 3.100 N/A SER 22.A N THR 20.A OG1 no hydrogen 3.386 N/A HIS 27.A ND1 THR 17.A OG1 no hydrogen 2.705 N/A HIS 27.A NE2 GLY 186.A O no hydrogen 2.847 N/A LEU 28.A N LEU 18.A O no hydrogen 2.782 N/A CYS 29.A N LEU 18.A O no hydrogen 3.334 N/A CYS 29.A SG LEU 28.A O no hydrogen 3.129 N/A CYS 29.A SG SER 188.A OG no hydrogen 3.594 N/A GLY 30.A N SER 188.A O no hydrogen 2.850 N/A GLY 31.A N VAL 16.A O no hydrogen 3.253 N/A SER 32.A N LEU 40.A O no hydrogen 2.943 N/A ILE 33.A N TRP 14.A O no hydrogen 2.804 N/A ILE 34.A N TRP 38.A O no hydrogen 3.048 N/A GLY 35.A N TRP 38.A O no hydrogen 3.399 N/A ASN 36.A ND2.A VAL 103.A O no hydrogen 2.998 N/A GLN 37.A NE2 LEU 99.A O no hydrogen 2.839 N/A TRP 38.A N GLY 35.A O no hydrogen 3.167 N/A ILE 39.A N LEU 97.A O no hydrogen 2.972 N/A LEU 40.A N SER 32.A O no hydrogen 2.846 N/A THR 41.A N ALA 95.A O no hydrogen 2.893 N/A THR 41.A OG1 GLY 30.A O no hydrogen 2.812 N/A ALA 42.A N THR 41.A OG1 no hydrogen 2.751 N/A HIS 44.A N ASP 93.A OD1 no hydrogen 3.002 N/A HIS 44.A ND1 ASP 93.A OD2 no hydrogen 2.675 N/A HIS 44.A NE2 SER 188.A OG no hydrogen 2.750 N/A CYS 45.A N ALA 42.A O no hydrogen 3.323 N/A CYS 45.A SG ALA 42.A O no hydrogen 3.591 N/A PHE 46.A N ALA 43.A O no hydrogen 3.270 N/A LYS 53.A N SER 51.A OG no hydrogen 3.090 N/A LEU 55.A N PRO 52.A O no hydrogen 3.108 N/A ARG 56.A N HIS 19.A O no hydrogen 2.916 N/A ARG 56.A NH1 TYR 58.A OH no hydrogen 3.504 N/A VAL 57.A N PHE 74.A O no hydrogen 2.907 N/A TYR 58.A N THR 17.A O no hydrogen 2.968 N/A SER 59.A OG GLN 109.A OE1 no hydrogen 2.737 N/A LEU 62.A N GLU 66.A OE2 no hydrogen 3.060 N/A ASN 63.A N GLU 66.A OE2 no hydrogen 2.839 N/A GLN 64.A N ASN 143.A O no hydrogen 2.783 N/A GLN 64.A NE2 THR 17.A OG1 no hydrogen 3.162 N/A ALA 65.A N ASN 143.A OD1 no hydrogen 2.837 N/A GLU 66.A N ASN 63.A O no hydrogen 2.929 N/A ILE 67.A N GLN 64.A O no hydrogen 2.982 N/A ALA 68.A N THR 71.A OG1 no hydrogen 2.767 N/A THR 71.A N ALA 68.A O no hydrogen 3.065 N/A THR 71.A OG1 GLU 66.A O no hydrogen 2.796 N/A THR 71.A OG1 ALA 68.A O no hydrogen 3.313 N/A PHE 74.A N VAL 57.A O no hydrogen 2.875 N/A GLN 77.A N LYS 98.A O no hydrogen 2.699 N/A GLU 78.A N LYS 98.A O no hydrogen 3.321 N/A ILE 80.A N LEU 96.A O no hydrogen 2.813 N/A HIS 82.A N ILE 94.A O no hydrogen 3.312 N/A GLN 84.A N HIS 82.A ND1 no hydrogen 3.199 N/A GLN 84.A NE2 ASP 83.A OD1 no hydrogen 3.236 N/A TYR 85.A N HIS 82.A O no hydrogen 3.028 N/A SER 90.A N MET 87.A O no hydrogen 3.101 N/A SER 90.A OG MET 87.A O no hydrogen 3.157 N/A GLY 91.A N ALA 88.A O no hydrogen 3.052 N/A ILE 94.A N TYR 92.A O no hydrogen 2.906 N/A ALA 95.A N THR 41.A O no hydrogen 2.945 N/A LEU 96.A N ILE 80.A O no hydrogen 2.843 N/A LEU 97.A N ILE 39.A O no hydrogen 2.845 N/A LYS 98.A N GLU 78.A O no hydrogen 2.972 N/A LYS 98.A NZ GLN 77.A OE1.A no hydrogen 3.502 N/A LEU 99.A N GLN 37.A O no hydrogen 2.868 N/A GLU 100.A N GLY 75.A O no hydrogen 2.860 N/A VAL 103.A N ASN 36.A O.A no hydrogen 2.738 N/A VAL 103.A N ASN 36.A O.B no hydrogen 2.720 N/A ALA 106.A N GLN 109.A O no hydrogen 2.897 N/A GLN 109.A N ALA 106.A O no hydrogen 3.017 N/A GLN 109.A NE2 ASN 104.A O no hydrogen 3.046 N/A ARG 110.A N PRO 13.A O no hydrogen 3.237 N/A ARG 110.A NH1 PRO 111.A O no hydrogen 2.908 N/A ILE 112.A N ILE 33.A O no hydrogen 2.948 N/A LYS 117.A NZ ASP 229.A OD1 no hydrogen 3.202 N/A LYS 117.A NZ ASP 229.A OD2 no hydrogen 2.783 N/A GLY 118.A N SER 116.A OG no hydrogen 3.050 N/A GLU 119.A N SER 116.A O no hydrogen 2.860 N/A ARG 120.A N LYS 117.A O no hydrogen 3.431 N/A ARG 120.A NE GLU 226.A OE2 no hydrogen 3.056 N/A ARG 120.A NH2 GLU 226.A OE2 no hydrogen 3.094 N/A VAL 122.A N GLU 119.A O no hydrogen 3.067 N/A TRP 128.A N SER 193B.A O no hydrogen 2.780 N/A TRP 128.A NE1 ASP 126.A OD1 no hydrogen 2.937 N/A VAL 129.A N ALA 148.A O no hydrogen 2.878 N/A THR 130.A OG1 GLN 15.A OE1 no hydrogen 2.711 N/A GLY 131.A N GLN 146.A O no hydrogen 3.071 N/A TRP 132.A NE1 LEU 62.A O no hydrogen 2.955 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.775 N/A TYR 134.A N LYS 185.A O no hydrogen 2.747 N/A ARG 135.A N ASP 139.A OD2 no hydrogen 2.799 N/A ARG 135.A NE.B GLN 146.A OE1 no hydrogen 3.491 N/A ARG 135.A NH2.B GLY 4.A O no hydrogen 3.508 N/A GLN 142.A N TRP 132.A O no hydrogen 2.819 N/A GLN 142.A NE2 LYS 140.A O no hydrogen 3.187 N/A THR 144.A OG1 ASN 63.A OD1 no hydrogen 2.630 N/A LEU 145.A N LEU 62.A O no hydrogen 2.963 N/A GLN 146.A N GLY 131.A O no hydrogen 2.922 N/A GLN 146.A NE2 THR 144.A O no hydrogen 3.156 N/A LYS 147.A N THR 5.A O no hydrogen 2.852 N/A LYS 147.A NZ GLU 11.A OE1 no hydrogen 2.929 N/A LYS 147.A NZ GLU 11.A OE2 no hydrogen 3.260 N/A ALA 148.A N VAL 129.A O no hydrogen 2.993 N/A ILE 150.A N CYS 127.A O no hydrogen 2.997 N/A VAL 153.A N CYS 173.A O no hydrogen 3.004 N/A ASN 155.A ND2 MET 171.A O no hydrogen 2.969 N/A GLU 157.A N THR 154.A OG1 no hydrogen 3.000 N/A CYS 158.A N THR 154.A O no hydrogen 2.924 N/A GLN 159.A N ASN 155.A O no hydrogen 2.890 N/A GLN 159.A NE2 GLN 159.A O no hydrogen 2.893 N/A GLN 159.A NE2 HIS 165.A O no hydrogen 2.971 N/A LYS 160.A N GLU 156.A O no hydrogen 3.369 N/A ARG 161.A N GLU 157.A O no hydrogen 3.344 N/A ARG 161.A N CYS 158.A O no hydrogen 2.989 N/A ARG 161.A NE GLU 157.A OE2 no hydrogen 2.815 N/A ARG 161.A NH2 GLU 157.A OE2 no hydrogen 2.716 N/A TYR 162.A N CYS 158.A O no hydrogen 3.163 N/A TYR 162.A N GLN 159.A O no hydrogen 3.155 N/A TYR 162.A OH PRO 218.A O no hydrogen 2.682 N/A HIS 165.A N TYR 162.A O no hydrogen 2.985 N/A HIS 165.A NE2 GLU 89.A OE1 no hydrogen 2.666 N/A ILE 167.A N GLN 159.A OE1 no hydrogen 2.877 N/A LYS 170.A N THR 168.A OG1 no hydrogen 3.112 N/A LYS 170.A NZ GLU 226.A O no hydrogen 3.091 N/A LYS 170.A NZ GLU 226.A OE1 no hydrogen 3.088 N/A MET 171.A N THR 168.A O no hydrogen 3.012 N/A ILE 172.A N TYR 221.A O no hydrogen 2.841 N/A ALA 174.A N GLY 219.A O no hydrogen 3.000 N/A GLY 175.A N PRO 151.A O no hydrogen 2.896 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.693 N/A GLY 179.A N TYR 176A.A O no hydrogen 2.892 N/A GLY 180.A N ALA 213.A O no hydrogen 2.881 N/A ASP 182.A N VAL 2.A O no hydrogen 3.283 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.849 N/A CYS 184.A SG LYS 136.A O no hydrogen 3.745 N/A ASP 187.A N CYS 184.A O no hydrogen 2.947 N/A SER 188.A OG HIS 44.A NE2 no hydrogen 2.750 N/A GLY 189.A N THR 206.A O no hydrogen 2.905 N/A GLY 190.A N ASP 187.A O no hydrogen 3.217 N/A CYS 194.A N HIS 201.A O no hydrogen 2.966 N/A LYS 195.A N ASP 126.A O no hydrogen 3.002 N/A HIS 201.A N CYS 194.A O no hydrogen 2.844 N/A LEU 202.A N SER 113.A O no hydrogen 2.941 N/A VAL 203.A N LEU 192A.A O no hydrogen 3.044 N/A GLY 204.A N LEU 192A.A O no hydrogen 3.138 N/A ILE 205.A N THR 222.A O no hydrogen 3.106 N/A THR 206.A N GLY 190.A O no hydrogen 2.959 N/A THR 206.A OG1 GLY 190.A O no hydrogen 3.380 N/A SER 207.A N VAL 220.A O no hydrogen 3.140 N/A SER 207.A OG ASP 93.A OD2 no hydrogen 2.597 N/A TRP 208.A N VAL 220.A O no hydrogen 3.035 N/A GLU 210.A N TYR 162.A OH no hydrogen 3.125 N/A CYS 212.A SG ALA 183.A O no hydrogen 3.926 N/A ALA 213.A N ASP 182.A OD2 no hydrogen 2.862 N/A GLN 214.A NE2 GLU 210.A O no hydrogen 3.014 N/A GLU 216.A N ARG 177.A O no hydrogen 2.872 N/A ARG 217.A N GLN 214.A O no hydrogen 3.269 N/A GLY 219.A N ALA 174.A O no hydrogen 2.874 N/A VAL 220.A N TRP 208.A O no hydrogen 2.770 N/A TYR 221.A N ILE 172.A O no hydrogen 2.764 N/A THR 222.A N ILE 205.A O no hydrogen 2.879 N/A THR 222.A OG1 ASP 93.A O no hydrogen 2.643 N/A ASN 223.A N LYS 170.A O no hydrogen 2.933 N/A ASN 223.A ND2 HIS 169.A O no hydrogen 3.163 N/A VAL 224.A N VAL 203.A O no hydrogen 3.007 N/A GLU 226.A N ASN 223.A O no hydrogen 3.046 N/A TYR 227.A N VAL 224.A O no hydrogen 2.843 N/A ILE 231.A N TYR 227.A O no hydrogen 2.828 N/A LEU 232.A N VAL 228.A O no hydrogen 3.014 N/A GLU 233.A N ASP 229.A O no hydrogen 2.969 N/A LYS 234.A N TRP 230.A O no hydrogen 2.991 N/A THR 235.A N ILE 231.A O no hydrogen 2.975 N/A THR 235.A OG1 ILE 231.A O no hydrogen 2.826 N/A THR 235.A OG1 LEU 232.A O no hydrogen 3.253 N/A GLN 236.A N LEU 232.A O no hydrogen 3.013 N/A ALA 237.A N GLU 233.A O no hydrogen 3.248 N/A TYR 176A.A OH LYS 149.A O no hydrogen 3.215 N/A LEU 192A.A N GLY 204.A O no hydrogen 2.879 N/A HIS 196A.A N VAL 199D.A O no hydrogen 2.942 N/A SER 193B.A N TRP 128.A O no hydrogen 2.918 N/A GLN 25C.A NE2 HIS 19.A ND1 no hydrogen 3.217 N/A GLN 25C.A NE2 TYR 58.A OH no hydrogen 2.841 N/A VAL 49C.A N PHE 46.A O no hydrogen 3.100 N/A ARG 26D.A N THR 20.A O no hydrogen 3.040 N/A ARG 26D.A NH1 HIS 27.A O no hydrogen 3.072 N/A VAL 199D.A N HIS 196A.A O no hydrogen 3.191 N/A