Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ne4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ARG 5.A O no hydrogen 2.932 N/A ARG 5.A NH1 SER 37.A OG no hydrogen 3.365 N/A ARG 5.A NH2 SER 37.A OG no hydrogen 2.721 N/A ARG 5.A NH2 ASP 41.A OD2 no hydrogen 2.362 N/A LYS 10.A NZ ILE 8.A O no hydrogen 2.944 N/A LYS 10.A NZ PHE 40.A O no hydrogen 2.681 N/A LYS 10.A NZ MET 43.A O no hydrogen 2.945 N/A THR 14.A N ASP 11.A OD2 no hydrogen 3.352 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 2.633 N/A ALA 16.A N TYR 12.A O no hydrogen 2.778 N/A ALA 17.A N LYS 13.A O no hydrogen 2.866 N/A LEU 18.A N THR 14.A O no hydrogen 2.786 N/A ALA 19.A N MET 15.A O no hydrogen 3.086 N/A LYS 20.A N ALA 16.A O no hydrogen 2.898 N/A ALA 21.A N ALA 17.A O no hydrogen 3.006 N/A ILE 22.A N LEU 18.A O no hydrogen 2.963 N/A GLU 23.A N ALA 19.A O no hydrogen 2.719 N/A LYS 24.A N LYS 20.A O no hydrogen 3.469 N/A ASN 25.A N ILE 22.A O no hydrogen 3.011 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.800 N/A PHE 28.A N ASN 25.A O no hydrogen 2.957 N/A SER 29.A N VAL 26.A O no hydrogen 2.900 N/A SER 29.A OG VAL 26.A O no hydrogen 2.484 N/A ASP 32.A N GLU 35.A OE1 no hydrogen 3.207 N/A GLU 35.A N ASP 32.A OD1 no hydrogen 2.558 N/A ARG 36.A N ASP 32.A O no hydrogen 2.750 N/A ARG 36.A NH1 ASP 33.A OD2 no hydrogen 3.438 N/A SER 37.A N ASP 33.A O no hydrogen 3.366 N/A ILE 39.A N GLU 35.A O no hydrogen 3.083 N/A PHE 40.A N ARG 36.A O no hydrogen 2.992 N/A ASP 41.A N SER 37.A O no hydrogen 2.959 N/A ALA 42.A N ASP 38.A O no hydrogen 2.553 N/A MET 43.A N ILE 39.A O no hydrogen 2.810 N/A PHE 44.A N GLY 115.A O no hydrogen 3.034 N/A VAL 46.A N LEU 113.A O no hydrogen 3.038 N/A PHE 48.A N VAL 111.A O no hydrogen 3.027 N/A ILE 49.A N GLU 52.A OE2 no hydrogen 2.898 N/A ALA 50.A N ASN 110.A OD1 no hydrogen 3.109 N/A GLY 51.A N ALA 107.A O no hydrogen 3.011 N/A GLU 52.A N ILE 49.A O no hydrogen 2.824 N/A VAL 54.A N VAL 105.A O no hydrogen 2.827 N/A ILE 55.A N VAL 105.A O no hydrogen 3.043 N/A GLN 57.A N THR 104.A OG1 no hydrogen 3.064 N/A GLN 57.A NE2 ASN 77.A OD1 no hydrogen 3.064 N/A GLY 58.A N ARG 101.A O no hydrogen 2.914 N/A ASP 59.A N GLN 56.A O no hydrogen 3.030 N/A ASN 63.A N ASP 62.A OD2 no hydrogen 2.362 N/A ASN 63.A ND2 TYR 65.A OH no hydrogen 3.080 N/A PHE 64.A N ILE 116.A O no hydrogen 2.835 N/A TYR 65.A N PHE 90.A O no hydrogen 2.987 N/A VAL 66.A N TRP 114.A O no hydrogen 3.024 N/A ILE 67.A N GLY 88.A O no hydrogen 2.736 N/A ASP 68.A N LYS 112.A O no hydrogen 2.951 N/A GLN 69.A N LYS 112.A O no hydrogen 3.050 N/A GLN 69.A NE2 ASP 68.A OD1 no hydrogen 2.991 N/A GLY 70.A N GLU 86.A OE1 no hydrogen 3.428 N/A GLU 71.A N THR 109.A OG1 no hydrogen 3.350 N/A MET 72.A N VAL 84.A O no hydrogen 2.691 N/A ASP 73.A N LYS 106.A O no hydrogen 2.784 N/A VAL 74.A N THR 82.A O no hydrogen 2.796 N/A TYR 75.A N THR 104.A O no hydrogen 2.858 N/A VAL 76.A N GLU 79.A O no hydrogen 2.694 N/A ASN 77.A N GLN 57.A OE1 no hydrogen 2.871 N/A GLU 79.A N VAL 76.A O no hydrogen 2.977 N/A ALA 81.A N VAL 74.A O no hydrogen 2.640 N/A SER 83.A OG GLU 71.A OE2 no hydrogen 3.529 N/A SER 83.A OG MET 72.A O no hydrogen 3.261 N/A SER 83.A OG ASP 73.A OD1 no hydrogen 2.758 N/A VAL 84.A N MET 72.A O no hydrogen 3.056 N/A GLY 87.A N ILE 67.A O no hydrogen 2.814 N/A GLY 88.A N GLY 85.A O no hydrogen 2.911 N/A PHE 90.A N TYR 65.A O no hydrogen 2.926 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.754 N/A ILE 96.A N GLU 92.A O no hydrogen 2.891 N/A TYR 97.A N LEU 93.A O no hydrogen 2.896 N/A GLY 98.A N ALA 94.A O no hydrogen 2.655 N/A THR 99.A OG1 PRO 100.A O no hydrogen 3.562 N/A ARG 101.A N ASP 59.A O no hydrogen 2.763 N/A ARG 101.A NH1 GLY 91.A O no hydrogen 2.843 N/A ARG 101.A NH2 ASP 62.A OD2 no hydrogen 2.594 N/A ARG 101.A NH2 ASN 63.A O no hydrogen 2.998 N/A THR 104.A N TYR 75.A O no hydrogen 2.759 N/A VAL 105.A N ILE 55.A O no hydrogen 2.844 N/A LYS 106.A N ASP 73.A O no hydrogen 2.968 N/A ALA 107.A N GLU 52.A O no hydrogen 2.819 N/A LYS 108.A N GLU 71.A O no hydrogen 2.859 N/A LYS 108.A NZ ASP 73.A OD1 no hydrogen 3.519 N/A LYS 108.A NZ ASP 73.A OD2 no hydrogen 3.118 N/A THR 109.A N GLU 71.A O no hydrogen 3.448 N/A THR 109.A OG1 ASN 110.A O no hydrogen 3.078 N/A VAL 111.A N PHE 48.A O no hydrogen 2.860 N/A LYS 112.A N GLN 69.A O no hydrogen 2.948 N/A LEU 113.A N VAL 46.A O no hydrogen 2.787 N/A TRP 114.A N VAL 66.A O no hydrogen 2.978 N/A TRP 114.A NE1 ASP 68.A OD2 no hydrogen 2.704 N/A GLY 115.A N PHE 44.A O no hydrogen 2.774 N/A ARG 118.A N ASP 62.A O no hydrogen 3.121 N/A ARG 118.A NH1 GLY 61.A O no hydrogen 3.534 N/A SER 120.A N ASP 117.A OD2 no hydrogen 3.056 N/A SER 120.A OG ASP 117.A OD1 no hydrogen 2.971 N/A SER 120.A OG ASP 117.A OD2 no hydrogen 2.476 N/A TYR 121.A N ASP 117.A O no hydrogen 2.734 N/A ARG 122.A N ARG 118.A O no hydrogen 2.521 N/A ARG 122.A NH1 LEU 95.A O no hydrogen 2.548 N/A ARG 122.A NH1 ILE 96.A O no hydrogen 3.033 N/A ARG 123.A N ASP 119.A O no hydrogen 2.997 N/A ARG 123.A NH2 ASP 38.A OD1 no hydrogen 3.214 N/A ILE 124.A N SER 120.A O no hydrogen 2.923 N/A LEU 125.A N TYR 121.A O no hydrogen 2.769 N/A MET 126.A N TYR 121.A O no hydrogen 3.077 N/A SER 128.A OG LEU 125.A O no hydrogen 3.294 N/A THR 129.A N LEU 125.A O no hydrogen 3.192 N/A THR 129.A OG1 LEU 125.A O no hydrogen 3.022 N/A LEU 130.A N MET 126.A O no hydrogen 2.864 N/A ARG 131.A N GLY 127.A O no hydrogen 3.016 N/A LYS 132.A N SER 128.A O no hydrogen 2.852 N/A LYS 132.A NZ ALA 158.A O no hydrogen 3.351 N/A LYS 132.A NZ ASP 159.A O no hydrogen 2.831 N/A LYS 132.A NZ LEU 161.A O no hydrogen 2.827 N/A ARG 133.A N THR 129.A O no hydrogen 3.229 N/A ARG 133.A NE ASP 159.A OD1 no hydrogen 2.954 N/A ARG 133.A NH1 GLU 92.A OE2 no hydrogen 3.011 N/A ARG 133.A NH2 GLU 92.A OE2 no hydrogen 3.025 N/A ARG 133.A NH2 ASP 159.A OD2 no hydrogen 2.951 N/A LYS 134.A N LEU 130.A O no hydrogen 3.027 N/A MET 135.A N ARG 131.A O no hydrogen 2.939 N/A TYR 136.A N LYS 132.A O no hydrogen 3.348 N/A GLU 137.A N ARG 133.A O no hydrogen 2.763 N/A LEU 140.A N TYR 136.A O no hydrogen 2.825 N/A SER 141.A N GLU 137.A O no hydrogen 3.141 N/A SER 141.A OG GLU 138.A O no hydrogen 2.590 N/A LYS 142.A N GLU 138.A O no hydrogen 3.101 N/A VAL 143.A N LEU 140.A O no hydrogen 3.019 N/A LEU 146.A N VAL 143.A O no hydrogen 2.927 N/A GLU 147.A N SER 144.A O no hydrogen 2.806 N/A SER 148.A N ILE 145.A O no hydrogen 3.338 N/A SER 148.A OG ILE 145.A O no hydrogen 3.084 N/A SER 148.A OG PRO 251.A O no hydrogen 3.426 N/A ASP 150.A N GLU 153.A OE1 no hydrogen 2.796 N/A LYS 151.A NZ GLU 137.A OE2 no hydrogen 3.130 N/A TRP 152.A NE1 GLU 92.A OE2 no hydrogen 3.044 N/A GLU 153.A N ASP 150.A OD1 no hydrogen 2.582 N/A ARG 154.A N ASP 150.A O no hydrogen 3.001 N/A ARG 154.A NE LEU 146.A O no hydrogen 3.326 N/A ARG 154.A NE LEU 149.A O no hydrogen 3.359 N/A ARG 154.A NH2 LEU 149.A O no hydrogen 3.274 N/A LEU 155.A N LYS 151.A O no hydrogen 3.198 N/A THR 156.A N TRP 152.A O no hydrogen 3.123 N/A THR 156.A OG1 TRP 152.A O no hydrogen 3.455 N/A VAL 157.A N GLU 153.A O no hydrogen 3.109 N/A VAL 157.A N ARG 154.A O no hydrogen 2.860 N/A ALA 158.A N ARG 154.A O no hydrogen 2.953 N/A ASP 159.A N LEU 155.A O no hydrogen 2.831 N/A ALA 160.A N THR 156.A O no hydrogen 3.255 N/A LEU 161.A N ALA 158.A O no hydrogen 3.040 N/A GLU 162.A N LYS 239.A O no hydrogen 3.113 N/A VAL 164.A N CYS 237.A O no hydrogen 3.183 N/A PHE 166.A N LEU 235.A O no hydrogen 2.716 N/A GLU 167.A N GLN 170.A OE1 no hydrogen 2.958 N/A GLY 169.A N ALA 231.A O no hydrogen 2.857 N/A GLN 170.A N GLU 167.A O no hydrogen 2.990 N/A ILE 172.A N VAL 229.A O no hydrogen 2.932 N/A GLN 175.A N THR 228.A OG1 no hydrogen 2.702 N/A GLN 175.A NE2 ALA 226.A O no hydrogen 3.176 N/A GLY 176.A N ARG 225.A O no hydrogen 2.653 N/A PHE 182.A N LEU 240.A O no hydrogen 2.820 N/A PHE 183.A N PHE 214.A O no hydrogen 2.839 N/A ILE 184.A N VAL 238.A O no hydrogen 3.121 N/A ILE 185.A N ASP 212.A O no hydrogen 2.805 N/A LEU 186.A N LYS 236.A O no hydrogen 2.618 N/A GLU 187.A N LYS 236.A O no hydrogen 3.241 N/A SER 189.A OG LEU 208.A O no hydrogen 3.568 N/A ALA 190.A N LEU 208.A O no hydrogen 3.077 N/A ALA 191.A N VAL 230.A O no hydrogen 2.623 N/A VAL 192.A N GLY 206.A O no hydrogen 2.822 N/A LEU 193.A N THR 228.A O no hydrogen 2.651 N/A GLN 194.A N VAL 203.A O no hydrogen 2.994 N/A GLN 194.A NE2 ALA 226.A O no hydrogen 3.065 N/A ARG 195.A N GLN 175.A OE1 no hydrogen 2.653 N/A VAL 203.A N GLN 194.A O no hydrogen 3.225 N/A VAL 205.A N GLU 204.A OE1 no hydrogen 3.399 N/A LEU 208.A N ALA 190.A O no hydrogen 3.017 N/A GLY 209.A N ASP 212.A OD2 no hydrogen 3.155 N/A SER 211.A N ILE 185.A O no hydrogen 2.754 N/A SER 211.A OG LYS 142.A O no hydrogen 3.360 N/A ASP 212.A N GLY 209.A O no hydrogen 3.012 N/A PHE 214.A N PHE 183.A O no hydrogen 2.905 N/A GLU 216.A N GLU 216.A OE2 no hydrogen 2.545 N/A LEU 220.A N GLU 216.A O no hydrogen 2.996 N/A MET 221.A N ILE 217.A O no hydrogen 3.087 N/A ARG 225.A N GLU 177.A O no hydrogen 3.074 N/A ARG 225.A NH1 GLU 181.A O no hydrogen 3.344 N/A ARG 225.A NH1 GLY 215.A O no hydrogen 2.851 N/A ARG 225.A NH2 GLU 181.A O no hydrogen 3.060 N/A THR 228.A N LEU 193.A O no hydrogen 2.745 N/A VAL 229.A N VAL 173.A O no hydrogen 2.583 N/A VAL 230.A N ALA 191.A O no hydrogen 2.878 N/A ALA 231.A N GLN 170.A O no hydrogen 3.129 N/A ARG 232.A N SER 189.A O no hydrogen 2.870 N/A GLY 233.A N ASP 168.A OD1 no hydrogen 2.965 N/A LEU 235.A N PHE 166.A O no hydrogen 3.008 N/A LYS 236.A N GLU 187.A O no hydrogen 3.005 N/A CYS 237.A N VAL 164.A O no hydrogen 2.887 N/A VAL 238.A N ILE 184.A O no hydrogen 2.885 N/A LYS 239.A N GLU 162.A O no hydrogen 2.740 N/A LYS 239.A NZ GLU 162.A OE1 no hydrogen 3.453 N/A LYS 239.A NZ GLU 181.A OE2 no hydrogen 3.516 N/A LEU 240.A N PHE 182.A O no hydrogen 2.896 N/A ARG 242.A NH2 GLY 179.A O no hydrogen 3.369 N/A ARG 244.A N ASP 241.A OD1 no hydrogen 2.813 N/A ARG 244.A NH1 ALA 160.A O no hydrogen 3.131 N/A ARG 244.A NH2 GLU 162.A OE2 no hydrogen 3.456 N/A PHE 245.A N ASP 241.A O no hydrogen 2.566 N/A GLU 246.A N ARG 242.A O no hydrogen 2.788 N/A ARG 247.A N PRO 243.A O no hydrogen 2.821 N/A VAL 248.A N ARG 244.A O no hydrogen 2.841 N/A LEU 249.A N PHE 245.A O no hydrogen 2.833 N/A CYS 252.A N LEU 249.A O no hydrogen 3.011 N/A CYS 252.A SG ILE 145.A O no hydrogen 3.502 N/A SER 253.A N LEU 249.A O no hydrogen 3.260 N/A SER 253.A N GLY 250.A O no hydrogen 2.997 N/A LEU 256.A N CYS 252.A O no hydrogen 3.066 N/A LYS 257.A N SER 253.A O no hydrogen 2.783 N/A LYS 257.A N ASP 254.A O no hydrogen 2.543 N/A ARG 258.A N ASP 254.A O no hydrogen 3.019 N/A ASN 259.A N ILE 255.A O no hydrogen 2.827 N/A ILE 260.A N LYS 257.A O no hydrogen 3.243 N/A GLN 261.A N ARG 258.A O no hydrogen 3.230 N/A GLN 262.A N ASN 259.A O no hydrogen 3.051 N/A TYR 263.A N ILE 260.A O no hydrogen 3.373 N/A TYR 263.A OH GLU 216.A OE1 no hydrogen 3.230 N/A PHE 266.A N GLN 194.A OE1 no hydrogen 3.361 N/A