Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1de4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N MET 101.A O no hydrogen 2.939 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.052 N/A LEU 5.A N CYS 99.A O no hydrogen 3.103 N/A HIS 6.A N TYR 27.A O no hydrogen 2.906 N/A TYR 7.A N LEU 97.A O no hydrogen 2.750 N/A LEU 8.A N LEU 25.A O no hydrogen 2.800 N/A PHE 9.A N VAL 95.A O no hydrogen 2.779 N/A MET 10.A N GLU 23.A O no hydrogen 3.122 N/A GLY 11.A N LEU 93.A O no hydrogen 2.884 N/A SER 13.A N HIS 91.A O no hydrogen 3.107 N/A SER 13.A OG GLU 89.A O no hydrogen 3.231 N/A GLU 14.A N SER 13.A OG no hydrogen 2.634 N/A LEU 21.A N THR 74.A OG1 no hydrogen 3.090 N/A PHE 22.A N ASP 70.A OD1 no hydrogen 3.165 N/A GLU 23.A N MET 10.A O no hydrogen 3.210 N/A ALA 24.A N TYR 36.A O no hydrogen 2.913 N/A LEU 25.A N LEU 8.A O no hydrogen 2.777 N/A GLY 26.A N VAL 34.A O no hydrogen 2.972 N/A TYR 27.A N HIS 6.A O no hydrogen 2.914 N/A VAL 28.A N GLN 31.A O no hydrogen 3.193 N/A ASP 29.A N SER 4.A O no hydrogen 2.590 N/A PHE 33.A N GLY 26.A O no hydrogen 2.812 N/A PHE 35.A N GLU 44.A O no hydrogen 2.916 N/A TYR 36.A N ALA 24.A O no hydrogen 2.968 N/A TYR 36.A OH ASP 70.A OD2 no hydrogen 2.644 N/A ASP 37.A N ARG 42.A O no hydrogen 3.433 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.937 N/A SER 40.A OG GLU 39.A O no hydrogen 2.405 N/A SER 40.A OG SER 40.A O no hydrogen 2.474 N/A ARG 41.A NH1 PHE 22.A O no hydrogen 2.285 N/A ARG 41.A NH1 ASP 37.A O no hydrogen 3.089 N/A ARG 42.A N ASP 37.A OD2 no hydrogen 3.405 N/A GLU 44.A N PHE 35.A O no hydrogen 3.066 N/A ARG 46.A N PHE 33.A O no hydrogen 3.059 N/A ARG 46.A NE PRO 45.A O no hydrogen 2.949 N/A THR 47.A OG1 GLN 31.A OE1 no hydrogen 3.511 N/A THR 47.A OG1 LEU 32.A O no hydrogen 2.938 N/A VAL 50.A N THR 47.A O no hydrogen 3.289 N/A SER 51.A N THR 47.A O no hydrogen 3.447 N/A SER 52.A OG PRO 48.A O no hydrogen 2.712 N/A ARG 53.A N TRP 49.A O no hydrogen 3.306 N/A ARG 53.A NH1 ARG 174.A O no hydrogen 3.480 N/A ILE 54.A N VAL 50.A O no hydrogen 3.285 N/A MET 58.A N SER 55.A OG no hydrogen 3.230 N/A TRP 59.A N SER 55.A O no hydrogen 3.098 N/A LEU 60.A N SER 56.A O no hydrogen 3.336 N/A LEU 60.A N GLN 57.A O no hydrogen 2.889 N/A GLN 61.A N GLN 57.A O no hydrogen 3.239 N/A GLN 61.A NE2 GLN 57.A O no hydrogen 3.678 N/A LEU 62.A N MET 58.A O no hydrogen 2.944 N/A SER 63.A N TRP 59.A O no hydrogen 2.761 N/A SER 63.A OG TRP 59.A O no hydrogen 3.222 N/A GLN 64.A N LEU 60.A O no hydrogen 2.897 N/A SER 65.A N GLN 61.A O no hydrogen 2.946 N/A SER 65.A OG GLN 61.A O no hydrogen 2.876 N/A LEU 66.A N LEU 62.A O no hydrogen 3.048 N/A LYS 67.A N SER 63.A O no hydrogen 2.958 N/A GLY 68.A N GLN 64.A O no hydrogen 2.683 N/A TRP 69.A N SER 65.A O no hydrogen 2.922 N/A ASP 70.A N LEU 66.A O no hydrogen 2.941 N/A HIS 71.A N LYS 67.A O no hydrogen 3.088 N/A MET 72.A N GLY 68.A O no hydrogen 2.796 N/A PHE 73.A N TRP 69.A O no hydrogen 2.772 N/A THR 74.A N ASP 70.A O no hydrogen 2.755 N/A THR 74.A OG1 ASP 70.A O no hydrogen 2.744 N/A THR 74.A OG1 ASP 70.A OD1 no hydrogen 3.257 N/A VAL 75.A N HIS 71.A O no hydrogen 3.152 N/A ASP 76.A N MET 72.A O no hydrogen 3.183 N/A PHE 77.A N PHE 73.A O no hydrogen 2.785 N/A TRP 78.A N THR 74.A O no hydrogen 3.124 N/A THR 79.A N VAL 75.A O no hydrogen 2.824 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.370 N/A ILE 80.A N ASP 76.A O no hydrogen 2.786 N/A MET 81.A N PHE 77.A O no hydrogen 2.870 N/A GLU 82.A N TRP 78.A O no hydrogen 3.038 N/A ASN 83.A N THR 79.A O no hydrogen 2.979 N/A ASN 83.A ND2 THR 140.A OG1 no hydrogen 3.075 N/A ASN 83.A ND2 GLU 143.A OE2 no hydrogen 3.093 N/A HIS 84.A N MET 81.A O no hydrogen 2.914 N/A ASN 85.A N GLU 82.A O no hydrogen 2.988 N/A HIS 86.A N MET 81.A O no hydrogen 2.898 N/A HIS 86.A ND1 TYR 115.A OH no hydrogen 2.613 N/A HIS 91.A N SER 13.A OG no hydrogen 2.871 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.684 N/A THR 92.A N ASP 116.A OD1 no hydrogen 2.952 N/A LEU 93.A N GLY 11.A O no hydrogen 3.025 N/A GLN 94.A N GLY 114.A O no hydrogen 2.875 N/A VAL 95.A N PHE 9.A O no hydrogen 2.961 N/A ILE 96.A N LYS 112.A O no hydrogen 3.060 N/A LEU 97.A N TYR 7.A O no hydrogen 3.151 N/A GLY 98.A N TYR 110.A O no hydrogen 2.994 N/A CYS 99.A N LEU 5.A O no hydrogen 2.890 N/A GLU 100.A N GLU 108.A O no hydrogen 2.746 N/A MET 101.A N HIS 3.A O no hydrogen 2.883 N/A GLN 102.A N SER 106.A O no hydrogen 2.889 N/A ASN 105.A N GLN 102.A O no hydrogen 2.639 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 3.419 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.110 N/A THR 107.A OG1 ASN 105.A O no hydrogen 3.519 N/A GLU 108.A N GLU 100.A O no hydrogen 2.964 N/A TYR 110.A N GLY 98.A O no hydrogen 2.899 N/A TRP 111.A NE1 TYR 113.A OH no hydrogen 3.199 N/A LYS 112.A N ILE 96.A O no hydrogen 2.797 N/A TYR 113.A N LEU 121.A O no hydrogen 2.910 N/A TYR 113.A OH ASP 76.A OD2 no hydrogen 2.845 N/A GLY 114.A N GLN 94.A O no hydrogen 2.641 N/A TYR 115.A N GLN 118.A O no hydrogen 3.033 N/A TYR 115.A OH HIS 86.A ND1 no hydrogen 2.613 N/A ASP 116.A N THR 92.A O no hydrogen 2.719 N/A GLN 118.A N TYR 115.A O no hydrogen 2.990 N/A HIS 120.A N TYR 113.A O no hydrogen 3.076 N/A LEU 121.A N TYR 113.A O no hydrogen 3.502 N/A GLU 122.A N ARG 131.A O no hydrogen 3.245 N/A PHE 123.A N TRP 111.A O no hydrogen 2.949 N/A CYS 124.A N ASP 129.A O no hydrogen 2.863 N/A CYS 124.A SG GLU 122.A O no hydrogen 3.719 N/A THR 127.A N CYS 124.A O no hydrogen 3.223 N/A THR 127.A OG1 CYS 124.A O no hydrogen 3.468 N/A THR 127.A OG1 ASP 129.A OD1 no hydrogen 2.782 N/A THR 127.A OG1 ASP 129.A OD2 no hydrogen 3.299 N/A LEU 128.A N PRO 125.A O no hydrogen 3.278 N/A ASP 129.A N CYS 124.A O no hydrogen 3.394 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 3.121 N/A ARG 131.A N GLU 122.A O no hydrogen 3.067 N/A ALA 133.A N HIS 120.A O no hydrogen 2.730 N/A ALA 137.A N GLU 134.A O no hydrogen 2.916 N/A TRP 138.A N PRO 135.A O no hydrogen 3.027 N/A LYS 141.A N ALA 137.A O no hydrogen 2.979 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 2.960 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.037 N/A LEU 142.A N TRP 138.A O no hydrogen 3.023 N/A GLU 143.A N PRO 139.A O no hydrogen 2.900 N/A TRP 144.A N THR 140.A O no hydrogen 3.009 N/A GLU 145.A N LYS 141.A O no hydrogen 3.137 N/A ARG 146.A N LEU 142.A O no hydrogen 3.117 N/A GLN 153.A N ILE 149.A O no hydrogen 2.965 N/A ASN 154.A N ARG 150.A O no hydrogen 2.912 N/A ARG 155.A N ALA 151.A O no hydrogen 2.914 N/A ALA 156.A N ARG 152.A O no hydrogen 2.975 N/A TYR 157.A N GLN 153.A O no hydrogen 2.936 N/A LEU 158.A N ASN 154.A O no hydrogen 3.109 N/A GLU 159.A N ARG 155.A O no hydrogen 2.739 N/A ARG 160.A N ALA 156.A O no hydrogen 2.821 N/A ARG 160.A NE ASP 161.A OD1 no hydrogen 3.221 N/A ARG 160.A NH2 ASP 161.A OD2 no hydrogen 3.320 N/A CYS 162.A N TYR 157.A O no hydrogen 2.818 N/A CYS 162.A SG TYR 157.A OH no hydrogen 3.885 N/A ALA 164.A N ARG 160.A O no hydrogen 3.377 N/A GLN 165.A N ASP 161.A O no hydrogen 2.894 N/A LEU 166.A N CYS 162.A O no hydrogen 2.942 N/A GLN 167.A N PRO 163.A O no hydrogen 3.067 N/A GLN 168.A N ALA 164.A O no hydrogen 3.250 N/A GLN 168.A NE2 ALA 164.A O no hydrogen 3.544 N/A LEU 169.A N GLN 165.A O no hydrogen 3.122 N/A LEU 170.A N LEU 166.A O no hydrogen 2.949 N/A LEU 170.A N GLN 167.A O no hydrogen 2.887 N/A GLU 171.A N GLN 167.A O no hydrogen 3.093 N/A LEU 172.A N GLN 168.A O no hydrogen 3.126 N/A GLY 173.A N LEU 170.A O no hydrogen 2.576 N/A ARG 174.A N LEU 170.A O no hydrogen 2.896 N/A GLY 175.A N ASP 178.A OD1 no hydrogen 2.784 N/A VAL 176.A N GLY 173.A O no hydrogen 3.055 N/A ASP 178.A N ASP 178.A OD1 no hydrogen 2.540 N/A LEU 184.A N LEU 203.A O no hydrogen 2.966 N/A LYS 186.A N ARG 201.A O no hydrogen 2.829 N/A THR 188.A N ARG 199.A O no hydrogen 2.691 N/A HIS 190.A N THR 197.A O no hydrogen 2.802 N/A THR 192.A N VAL 195.A O no hydrogen 3.125 N/A THR 192.A OG1 VAL 195.A O no hydrogen 2.671 N/A VAL 195.A N THR 192.A OG1 no hydrogen 3.331 N/A THR 196.A N VAL 247.A O no hydrogen 3.163 N/A THR 196.A OG1 GLU 252.A OE2 no hydrogen 3.264 N/A THR 197.A N HIS 190.A O no hydrogen 2.761 N/A LEU 198.A N LEU 245.A O no hydrogen 2.777 N/A ARG 199.A N THR 188.A O no hydrogen 3.111 N/A CYS 200.A N ILE 243.A O no hydrogen 3.127 N/A ARG 201.A N LYS 186.A O no hydrogen 3.143 N/A ARG 201.A NH2 GLN 240.A OE1 no hydrogen 2.795 N/A ALA 202.A N GLY 241.A O no hydrogen 2.740 N/A LEU 203.A N LEU 184.A O no hydrogen 3.021 N/A TYR 205.A N TYR 239.A O no hydrogen 3.019 N/A TYR 206.A N VAL 181.A O no hydrogen 3.115 N/A TYR 206.A OH LEU 177.A O no hydrogen 3.272 N/A THR 211.A N GLU 260.A O no hydrogen 2.847 N/A LYS 213.A N GLN 258.A O no hydrogen 3.124 N/A LEU 215.A N THR 256.A O no hydrogen 2.682 N/A ASP 217.A N ARG 254.A O no hydrogen 2.745 N/A GLN 219.A N LYS 216.A O no hydrogen 2.817 N/A GLU 225.A N ASP 222.A O no hydrogen 2.983 N/A ASP 230.A N TRP 242.A O no hydrogen 3.270 N/A LEU 232.A N GLN 240.A O no hydrogen 2.783 N/A ASN 234.A N THR 238.A O no hydrogen 2.901 N/A ASN 234.A ND2 THR 238.A O no hydrogen 3.354 N/A ASP 236.A N ASN 234.A O no hydrogen 2.503 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.514 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 2.921 N/A TYR 239.A N TYR 205.A O no hydrogen 2.920 N/A GLN 240.A N LEU 232.A O no hydrogen 3.124 N/A GLN 240.A NE2 ASN 234.A OD1 no hydrogen 3.218 N/A GLY 241.A N ALA 202.A O no hydrogen 3.135 N/A ILE 243.A N CYS 200.A O no hydrogen 3.323 N/A LEU 245.A N LEU 198.A O no hydrogen 3.012 N/A VAL 247.A N THR 196.A O no hydrogen 2.929 N/A GLY 250.A N GLU 252.A OE1 no hydrogen 2.837 N/A GLU 251.A N PRO 248.A O no hydrogen 2.914 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.516 N/A GLN 253.A NE2 GLY 250.A O no hydrogen 3.374 N/A ARG 254.A N GLU 251.A O no hydrogen 2.784 N/A ARG 254.A NE ASP 217.A OD1 no hydrogen 3.140 N/A ARG 254.A NH2 ASP 217.A OD2 no hydrogen 2.744 N/A TYR 255.A N GLU 252.A O no hydrogen 2.919 N/A THR 256.A N LEU 215.A O no hydrogen 2.713 N/A THR 256.A OG1 LEU 215.A O no hydrogen 3.243 N/A CYS 257.A N VAL 270.A O no hydrogen 2.934 N/A GLN 258.A N LYS 213.A O no hydrogen 2.850 N/A VAL 259.A N LEU 268.A O no hydrogen 2.732 N/A GLU 260.A N THR 211.A O no hydrogen 2.943 N/A GLY 263.A N HIS 261.A ND1 no hydrogen 2.486 N/A LEU 264.A N HIS 261.A O no hydrogen 2.806 N/A LEU 268.A N VAL 259.A O no hydrogen 3.265 N/A VAL 270.A N CYS 257.A O no hydrogen 2.790 N/A