Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ie3_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N PHE 1.A O no hydrogen 2.898 N/A ASP 6.A N THR 2.A O no hydrogen 3.010 N/A GLN 7.A N LYS 3.A O no hydrogen 3.186 N/A TRP 8.A N GLU 4.A O no hydrogen 2.922 N/A ILE 9.A N LEU 5.A O no hydrogen 2.806 N/A GLU 10.A N ASP 6.A O no hydrogen 2.812 N/A GLN 11.A N GLN 7.A O no hydrogen 2.843 N/A GLN 11.A NE2 GLN 7.A OE1 no hydrogen 3.466 N/A LEU 12.A N TRP 8.A O no hydrogen 2.803 N/A ASN 13.A N ILE 9.A O no hydrogen 2.923 N/A ASN 13.A N GLU 10.A O no hydrogen 3.206 N/A ASN 13.A ND2 ILE 9.A O no hydrogen 2.779 N/A GLU 14.A N GLN 11.A O no hydrogen 2.767 N/A CYS 15.A N LEU 12.A O no hydrogen 2.892 N/A LYS 16.A NZ GLU 14.A OE1 no hydrogen 3.370 N/A LYS 16.A NZ GLU 14.A OE2 no hydrogen 3.159 N/A GLN 17.A NE2 LYS 131.A O no hydrogen 2.869 N/A SER 19.A N GLN 22.A OE1 no hydrogen 2.807 N/A GLN 22.A N SER 19.A OG no hydrogen 2.951 N/A VAL 23.A N SER 19.A O no hydrogen 3.032 N/A LYS 24.A N GLU 20.A O no hydrogen 2.944 N/A LYS 24.A NZ TYR 140.A OH no hydrogen 3.443 N/A SER 25.A N SER 21.A O no hydrogen 3.307 N/A LEU 26.A N GLN 22.A O no hydrogen 2.799 N/A CYS 27.A N VAL 23.A O no hydrogen 2.781 N/A GLU 28.A N LYS 24.A O no hydrogen 3.003 N/A LYS 29.A N SER 25.A O no hydrogen 3.135 N/A ALA 30.A N LEU 26.A O no hydrogen 3.167 N/A LYS 31.A N CYS 27.A O no hydrogen 2.971 N/A GLU 32.A N GLU 28.A O no hydrogen 3.462 N/A ILE 33.A N LYS 29.A O no hydrogen 2.987 N/A LEU 34.A N ALA 30.A O no hydrogen 2.918 N/A THR 35.A N LYS 31.A O no hydrogen 2.878 N/A THR 35.A OG1 LYS 31.A O no hydrogen 2.660 N/A GLU 37.A N LEU 34.A O no hydrogen 3.286 N/A SER 38.A N GLN 41.A OE1 no hydrogen 3.203 N/A ASN 39.A ND2 ILE 175.A O no hydrogen 2.837 N/A ASN 39.A ND2 LEU 178.A O no hydrogen 2.724 N/A VAL 40.A N SER 38.A OG no hydrogen 2.820 N/A GLN 41.A N THR 151.A O no hydrogen 2.899 N/A VAL 43.A N LEU 153.A O no hydrogen 2.910 N/A CYS 45.A SG ASP 274.A O no hydrogen 3.121 N/A CYS 45.A SG ASP 275.A O no hydrogen 3.476 N/A VAL 47.A N LEU 273.A O no hydrogen 2.956 N/A THR 48.A N ASN 74.A O no hydrogen 2.947 N/A THR 48.A OG1 ASN 74.A O no hydrogen 3.444 N/A VAL 49.A N MET 271.A O no hydrogen 2.708 N/A CYS 50.A N LEU 76.A O no hydrogen 2.872 N/A GLY 51.A N SER 256.A OG no hydrogen 2.841 N/A VAL 53.A N ASP 80.A O no hydrogen 3.197 N/A HIS 54.A N ASP 80.A O no hydrogen 2.819 N/A HIS 54.A ND1 VAL 82.A O no hydrogen 2.522 N/A GLY 55.A N TYR 81.A O no hydrogen 2.626 N/A GLN 56.A N VAL 53.A O no hydrogen 3.177 N/A GLN 56.A NE2 ASP 59.A OD2 no hydrogen 2.817 N/A GLN 56.A NE2 PRO 258.A O no hydrogen 2.934 N/A ASP 59.A N GLN 56.A O no hydrogen 2.733 N/A LEU 60.A N GLN 56.A O no hydrogen 3.060 N/A MET 61.A N PHE 57.A O no hydrogen 3.022 N/A GLU 62.A N HIS 58.A O no hydrogen 3.312 N/A LEU 63.A N ASP 59.A O no hydrogen 2.807 N/A PHE 64.A N LEU 60.A O no hydrogen 3.045 N/A ARG 65.A N MET 61.A O no hydrogen 3.093 N/A ARG 65.A NE GLU 62.A OE1 no hydrogen 2.785 N/A ARG 65.A NH2 GLU 62.A OE1 no hydrogen 3.528 N/A ILE 66.A N GLU 62.A O no hydrogen 3.113 N/A GLY 67.A N LEU 63.A O no hydrogen 2.907 N/A GLY 68.A N PHE 64.A O no hydrogen 2.976 N/A THR 73.A N LYS 69.A O no hydrogen 2.988 N/A THR 73.A OG1 GLY 67.A O no hydrogen 2.841 N/A ASN 74.A ND2 PRO 46.A O no hydrogen 3.344 N/A TYR 75.A N ARG 105.A O no hydrogen 2.806 N/A TYR 75.A OH GLY 68.A O no hydrogen 2.674 N/A LEU 76.A N THR 48.A O no hydrogen 2.725 N/A PHE 77.A N THR 107.A O no hydrogen 2.846 N/A MET 78.A N CYS 50.A O no hydrogen 3.103 N/A GLY 79.A N TYR 81.A OH no hydrogen 3.132 N/A ASP 80.A N GLU 114.A OE1 no hydrogen 2.593 N/A TYR 81.A N GLU 114.A OE2 no hydrogen 2.770 N/A TYR 81.A OH PHE 77.A O no hydrogen 3.302 N/A TYR 81.A OH LEU 109.A O no hydrogen 2.761 N/A ASP 83.A N SER 88.A OG no hydrogen 2.729 N/A ARG 84.A N TYR 122.A O no hydrogen 3.043 N/A GLY 85.A N ASP 83.A O no hydrogen 2.635 N/A TYR 86.A N TYR 262.A OH no hydrogen 2.779 N/A TYR 87.A N GLY 55.A O no hydrogen 3.035 N/A SER 88.A N GLU 127.A OE1 no hydrogen 2.890 N/A VAL 89.A N GLU 127.A OE2 no hydrogen 2.799 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.743 N/A THR 91.A N TYR 87.A O no hydrogen 3.161 N/A THR 91.A OG1 TYR 87.A O no hydrogen 2.774 N/A VAL 92.A N SER 88.A O no hydrogen 2.974 N/A THR 93.A N VAL 89.A O no hydrogen 3.253 N/A THR 93.A OG1 VAL 89.A O no hydrogen 2.655 N/A LEU 94.A N GLU 90.A O no hydrogen 2.954 N/A LEU 95.A N THR 91.A O no hydrogen 3.104 N/A VAL 96.A N VAL 92.A O no hydrogen 2.863 N/A ALA 97.A N THR 93.A O no hydrogen 2.821 N/A LEU 98.A N LEU 94.A O no hydrogen 2.743 N/A LYS 99.A N LEU 95.A O no hydrogen 2.900 N/A LYS 99.A NZ GLU 37.A OE2 no hydrogen 2.865 N/A LYS 99.A NZ ARG 103.A O no hydrogen 3.117 N/A LYS 99.A NZ ILE 106.A O no hydrogen 2.766 N/A VAL 100.A N VAL 96.A O no hydrogen 3.053 N/A VAL 100.A N ALA 97.A O no hydrogen 3.180 N/A ARG 101.A N ALA 97.A O no hydrogen 3.038 N/A ARG 101.A NE ASP 6.A OD2 no hydrogen 2.899 N/A ARG 101.A NH1 ARG 101.A O no hydrogen 2.983 N/A TYR 102.A N LEU 98.A O no hydrogen 2.707 N/A ARG 105.A N TYR 102.A O no hydrogen 2.910 N/A ARG 105.A NH1 ASN 74.A OD1 no hydrogen 2.896 N/A ILE 106.A N TYR 102.A O no hydrogen 3.368 N/A THR 107.A N TYR 75.A O no hydrogen 2.913 N/A LEU 109.A N PHE 77.A O no hydrogen 2.808 N/A ARG 110.A N PRO 149.A O no hydrogen 3.030 N/A ARG 110.A NH1 PHE 145.A O no hydrogen 2.334 N/A ARG 110.A NH1 ASP 146.A OD1 no hydrogen 2.934 N/A ARG 110.A NH2 ASP 146.A OD1 no hydrogen 3.198 N/A GLY 111.A N GLU 114.A OE1 no hydrogen 2.794 N/A HIS 113.A N ASP 80.A OD1 no hydrogen 3.221 N/A HIS 113.A ND1 ASP 83.A OD2 no hydrogen 2.506 N/A GLU 114.A N GLY 111.A O no hydrogen 3.070 N/A SER 115.A OG GLU 183.A OE2 no hydrogen 2.639 N/A ARG 116.A N GLU 183.A OE1 no hydrogen 2.785 N/A ARG 116.A NH1 ASP 146.A OD1 no hydrogen 3.322 N/A ARG 116.A NH1 ASP 146.A OD2 no hydrogen 3.159 N/A ARG 116.A NH1 GLU 183.A OE1 no hydrogen 3.269 N/A ARG 116.A NH2 ASP 143.A OD1 no hydrogen 3.122 N/A ARG 116.A NH2 ASP 146.A OD2 no hydrogen 3.016 N/A GLN 117.A N GLU 183.A OE2 no hydrogen 3.011 N/A THR 119.A N SER 115.A O no hydrogen 3.137 N/A THR 119.A OG1 SER 115.A O no hydrogen 2.782 N/A THR 119.A OG1 ARG 116.A O no hydrogen 3.128 N/A GLN 120.A N GLN 117.A O no hydrogen 3.333 N/A GLN 120.A NE2 ARG 116.A O no hydrogen 3.329 N/A VAL 121.A N ILE 118.A O no hydrogen 3.203 N/A TYR 122.A N ILE 118.A O no hydrogen 3.046 N/A PHE 124.A N ASP 83.A OD1 no hydrogen 2.852 N/A TYR 125.A N THR 119.A O no hydrogen 2.941 N/A GLU 127.A N GLY 123.A O no hydrogen 3.122 N/A CYS 128.A N PHE 124.A O no hydrogen 3.344 N/A CYS 128.A SG PHE 124.A O no hydrogen 3.187 N/A LEU 129.A N TYR 125.A O no hydrogen 3.267 N/A ARG 130.A N ASP 126.A O no hydrogen 2.869 N/A LYS 131.A N GLU 127.A O no hydrogen 2.787 N/A LYS 131.A NZ GLU 90.A OE1 no hydrogen 2.887 N/A LYS 131.A NZ GLU 90.A OE2 no hydrogen 2.928 N/A LYS 131.A NZ GLU 127.A OE2 no hydrogen 3.141 N/A TYR 132.A N CYS 128.A O no hydrogen 2.812 N/A TYR 132.A OH LEU 18.A O no hydrogen 2.713 N/A ASN 134.A ND2 GLU 20.A OE1 no hydrogen 3.139 N/A ASN 136.A N ASN 134.A OD1 no hydrogen 2.826 N/A ASN 136.A ND2 GLU 20.A OE2 no hydrogen 2.438 N/A TRP 138.A NE1 THR 119.A OG1 no hydrogen 2.997 N/A LYS 139.A N ALA 135.A O no hydrogen 3.022 N/A LYS 139.A NZ LYS 139.A O no hydrogen 3.176 N/A LYS 139.A NZ ASP 143.A OD1 no hydrogen 2.635 N/A TYR 140.A N ASN 136.A O no hydrogen 2.924 N/A PHE 141.A N VAL 137.A O no hydrogen 3.174 N/A THR 142.A N TRP 138.A O no hydrogen 2.791 N/A THR 142.A OG1 TRP 138.A O no hydrogen 2.495 N/A THR 142.A OG1 LYS 139.A O no hydrogen 3.268 N/A ASP 143.A N LYS 139.A O no hydrogen 2.928 N/A LEU 144.A N TYR 140.A O no hydrogen 2.940 N/A PHE 145.A N PHE 141.A O no hydrogen 2.839 N/A ASP 146.A N ASP 143.A O no hydrogen 2.974 N/A TYR 147.A N LEU 144.A O no hydrogen 2.834 N/A LEU 148.A N PHE 145.A O no hydrogen 3.102 N/A THR 151.A OG1 LEU 150.A O no hydrogen 3.324 N/A THR 151.A OG1 CYS 160.A O no hydrogen 3.394 N/A ALA 152.A N CYS 160.A O no hydrogen 2.725 N/A LEU 153.A N GLN 41.A O no hydrogen 2.578 N/A VAL 154.A N ILE 158.A O no hydrogen 2.755 N/A ASP 155.A N VAL 43.A O no hydrogen 3.105 N/A GLN 157.A N VAL 154.A O no hydrogen 3.150 N/A GLN 157.A NE2 ASP 155.A O no hydrogen 3.164 N/A ILE 158.A N VAL 154.A O no hydrogen 3.150 N/A PHE 159.A N LEU 231.A O no hydrogen 3.232 N/A CYS 160.A N ALA 152.A O no hydrogen 2.795 N/A LEU 161.A N SER 233.A O no hydrogen 3.054 N/A HIS 162.A ND1 MET 78.A O no hydrogen 2.971 N/A HIS 162.A NE2 HIS 236.A ND1 no hydrogen 2.835 N/A GLY 163.A N LEU 193.A O no hydrogen 2.784 N/A GLY 164.A N LEU 193.A O no hydrogen 2.740 N/A SER 166.A OG ASP 192.A OD2 no hydrogen 3.093 N/A SER 168.A N SER 166.A OG no hydrogen 3.119 N/A SER 168.A OG SER 166.A OG no hydrogen 2.872 N/A ILE 169.A N SER 166.A O no hydrogen 2.995 N/A LEU 172.A N ASN 227.A OD1 no hydrogen 3.086 N/A ILE 175.A N THR 171.A O no hydrogen 3.341 N/A ARG 176.A N LEU 172.A O no hydrogen 3.034 N/A ALA 177.A N ASP 173.A O no hydrogen 2.852 N/A ALA 177.A N HIS 174.A O no hydrogen 3.141 N/A LEU 178.A N ILE 175.A O no hydrogen 3.301 N/A ARG 180.A NE TYR 147.A O no hydrogen 2.930 N/A ARG 180.A NH1 GLU 37.A O no hydrogen 3.224 N/A ARG 180.A NH1 ASN 39.A OD1 no hydrogen 2.846 N/A ARG 180.A NH2 GLU 37.A O no hydrogen 2.870 N/A ARG 180.A NH2 TYR 147.A O no hydrogen 3.154 N/A GLN 182.A N ARG 180.A O no hydrogen 2.712 N/A ASP 192.A N GLY 188.A O no hydrogen 2.954 N/A LEU 193.A N PRO 189.A O no hydrogen 3.017 N/A LEU 194.A N CYS 191.A O no hydrogen 2.975 N/A TRP 195.A N ASP 192.A O no hydrogen 3.232 N/A SER 196.A N ASP 192.A O no hydrogen 2.861 N/A SER 196.A OG LEU 165.A O no hydrogen 3.188 N/A SER 196.A OG ASP 192.A O no hydrogen 2.976 N/A ASP 197.A N TYR 213.A O no hydrogen 2.820 N/A ASP 199.A N PHE 215.A O no hydrogen 2.757 N/A GLY 203.A N ASP 218.A OD1 no hydrogen 2.838 N/A GLY 203.A N ASP 218.A OD2 no hydrogen 3.244 N/A GLY 205.A N THR 214.A O no hydrogen 3.118 N/A SER 207.A OG ALA 211.A O no hydrogen 2.887 N/A ARG 209.A N SER 207.A OG no hydrogen 2.923 N/A ARG 209.A NE ASP 197.A OD2 no hydrogen 2.854 N/A ARG 209.A NH2 HIS 236.A O no hydrogen 3.207 N/A GLY 210.A N SER 207.A O no hydrogen 3.215 N/A TYR 213.A N SER 196.A OG no hydrogen 2.719 N/A THR 214.A N GLY 205.A O no hydrogen 3.421 N/A THR 214.A OG1 ASP 199.A OD2 no hydrogen 3.474 N/A PHE 215.A N ASP 197.A O no hydrogen 3.069 N/A GLY 216.A N GLY 203.A O no hydrogen 3.004 N/A GLN 217.A NE2 GLU 221.A OE1 no hydrogen 2.806 N/A ILE 219.A N GLY 216.A O no hydrogen 3.019 N/A SER 220.A N GLY 216.A O no hydrogen 3.442 N/A GLU 221.A N GLN 217.A O no hydrogen 2.967 N/A THR 222.A N ASP 218.A O no hydrogen 3.133 N/A THR 222.A OG1 ASP 218.A O no hydrogen 3.030 N/A PHE 223.A N ILE 219.A O no hydrogen 3.021 N/A ASN 224.A N SER 220.A O no hydrogen 2.662 N/A ASN 224.A ND2 ASN 250.A O no hydrogen 3.441 N/A ASN 224.A ND2 ASN 250.A OD1 no hydrogen 2.940 N/A HIS 225.A N GLU 221.A O no hydrogen 2.885 N/A ALA 226.A N THR 222.A O no hydrogen 2.864 N/A ASN 227.A N ASN 224.A O no hydrogen 3.062 N/A ASN 227.A ND2 ASP 170.A O no hydrogen 3.009 N/A ASN 227.A ND2 PHE 223.A O no hydrogen 2.495 N/A GLY 228.A N HIS 225.A O no hydrogen 3.385 N/A LEU 229.A N ASN 224.A O no hydrogen 3.112 N/A THR 230.A N GLN 157.A O no hydrogen 2.644 N/A THR 230.A OG1 GLN 157.A OE1 no hydrogen 3.403 N/A VAL 232.A N ASN 250.A O no hydrogen 2.634 N/A SER 233.A N PHE 159.A O no hydrogen 2.610 N/A ARG 234.A N VAL 252.A O no hydrogen 3.043 N/A ARG 234.A NE GLY 163.A O no hydrogen 2.833 N/A ARG 234.A NH1 GLN 237.A OE1 no hydrogen 2.772 N/A ARG 234.A NH1 THR 253.A OG1 no hydrogen 2.866 N/A ARG 234.A NH2 GLY 163.A O no hydrogen 3.359 N/A ARG 234.A NH2 SER 196.A O no hydrogen 3.258 N/A ARG 234.A NH2 ASP 197.A OD1 no hydrogen 2.623 N/A ALA 235.A N HIS 162.A O no hydrogen 3.002 N/A HIS 236.A N ASP 52.A OD1 no hydrogen 3.028 N/A HIS 236.A ND1 ASN 112.A OD1 no hydrogen 3.211 N/A HIS 236.A ND1 HIS 162.A NE2 no hydrogen 2.835 N/A GLY 242.A N VAL 239.A O no hydrogen 2.621 N/A ASN 244.A N THR 253.A O no hydrogen 2.850 N/A CYS 246.A N VAL 251.A O no hydrogen 2.939 N/A HIS 247.A NE2 PHE 215.A O no hydrogen 3.089 N/A ASN 250.A N CYS 246.A O no hydrogen 3.244 N/A ASN 250.A N HIS 247.A O no hydrogen 2.969 N/A ASN 250.A ND2 HIS 247.A O no hydrogen 2.627 N/A VAL 251.A N CYS 246.A O no hydrogen 3.190 N/A VAL 252.A N VAL 232.A O no hydrogen 2.981 N/A THR 253.A N ASN 244.A O no hydrogen 2.645 N/A ILE 254.A N ARG 234.A O no hydrogen 2.973 N/A PHE 255.A N GLY 242.A O no hydrogen 3.006 N/A SER 256.A OG ALA 269.A O no hydrogen 2.884 N/A ASN 259.A N ASN 266.A O no hydrogen 2.780 N/A TYR 260.A N ASN 266.A OD1 no hydrogen 2.766 N/A CYS 261.A N GLN 56.A OE1 no hydrogen 3.020 N/A TYR 262.A N ASN 259.A O no hydrogen 2.774 N/A ARG 263.A N TYR 260.A O no hydrogen 2.999 N/A CYS 264.A N TYR 260.A O no hydrogen 3.119 N/A CYS 264.A SG TYR 260.A O no hydrogen 3.636 N/A ASN 266.A ND2 ALA 257.A O no hydrogen 2.983 N/A ASN 266.A ND2 GLN 267.A O no hydrogen 2.707 N/A GLN 267.A N MET 240.A O no hydrogen 2.714 N/A ALA 268.A N PHE 284.A O no hydrogen 3.006 N/A ALA 269.A N PHE 255.A O no hydrogen 2.863 N/A ILE 270.A N LEU 282.A O no hydrogen 3.024 N/A MET 271.A N VAL 49.A O no hydrogen 2.823 N/A GLU 272.A N SER 280.A O no hydrogen 2.659 N/A LEU 273.A N VAL 47.A O no hydrogen 2.888 N/A ASP 274.A N LYS 278.A O no hydrogen 2.958 N/A THR 276.A N ASP 274.A OD1 no hydrogen 2.561 N/A LEU 277.A N ASP 274.A O no hydrogen 3.111 N/A LYS 278.A N ASP 274.A OD1 no hydrogen 3.130 N/A SER 280.A N GLU 272.A O no hydrogen 2.935 N/A LEU 282.A N ILE 270.A O no hydrogen 2.900 N/A GLN 283.A NE2 GLU 241.A O no hydrogen 2.809 N/A GLN 283.A NE2 GLU 241.A OE1 no hydrogen 2.852 N/A PHE 284.A N ALA 268.A O no hydrogen 2.860 N/A