Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ekg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N TYR 16.A O no hydrogen 2.923 N/A LEU 5.A N ALA 14.A O no hydrogen 2.771 N/A LYS 6.A N ASN 72.A OD1 no hydrogen 2.841 N/A LYS 6.A NZ ASP 76.A OD1 no hydrogen 2.617 N/A LYS 6.A NZ ASP 76.A OD2 no hydrogen 3.154 N/A SER 7.A OG TRP 196.A O no hydrogen 3.263 N/A VAL 9.A N SER 7.A OG no hydrogen 2.893 N/A GLY 10.A N SER 7.A O no hydrogen 3.463 N/A ALA 11.A N SER 7.A OG no hydrogen 2.926 N/A ALA 14.A N LEU 5.A O no hydrogen 2.882 N/A TYR 16.A N LEU 3.A O no hydrogen 2.820 N/A TYR 16.A OH GLU 32.A OE2 no hydrogen 3.009 N/A TYR 23.A N HIS 27.A O no hydrogen 2.882 N/A TYR 23.A OH GLU 32.A OE1 no hydrogen 2.507 N/A ASP 24.A N HIS 27.A O no hydrogen 3.225 N/A HIS 26.A N ASP 24.A OD1 no hydrogen 2.584 N/A HIS 27.A N ASP 24.A O no hydrogen 3.232 N/A ALA 29.A N PRO 21.A O no hydrogen 2.973 N/A HIS 31.A N ASP 28.A OD1 no hydrogen 2.976 N/A GLU 32.A N ASP 28.A O no hydrogen 3.155 N/A ILE 33.A N ALA 29.A O no hydrogen 2.902 N/A ILE 34.A N ALA 30.A O no hydrogen 3.000 N/A GLU 35.A N HIS 31.A O no hydrogen 2.882 N/A THR 36.A N GLU 32.A O no hydrogen 2.947 N/A THR 36.A OG1 GLU 32.A O no hydrogen 2.606 N/A THR 36.A OG1 HIS 102.A NE2 no hydrogen 2.970 N/A ILE 37.A N ILE 33.A O no hydrogen 3.164 N/A ARG 38.A N ILE 34.A O no hydrogen 3.275 N/A TRP 39.A N GLU 35.A O no hydrogen 2.900 N/A VAL 40.A N THR 36.A O no hydrogen 3.053 N/A CYS 41.A N ILE 37.A O no hydrogen 3.035 N/A CYS 41.A SG ILE 37.A O no hydrogen 3.311 N/A GLU 42.A N ARG 38.A O no hydrogen 3.167 N/A GLU 43.A N TRP 39.A O no hydrogen 2.991 N/A ILE 44.A N VAL 40.A O no hydrogen 3.137 N/A LYS 48.A N ILE 44.A O no hydrogen 3.249 N/A LEU 49.A N PRO 45.A O no hydrogen 3.263 N/A ALA 50.A N ASP 46.A O no hydrogen 3.089 N/A MET 51.A N LEU 47.A O no hydrogen 2.881 N/A MET 51.A N LYS 48.A O no hydrogen 3.175 N/A GLU 52.A N LEU 49.A O no hydrogen 3.200 N/A ASP 57.A N SER 63.A OG no hydrogen 3.400 N/A SER 60.A N ASP 57.A O no hydrogen 3.092 N/A SER 60.A N ASP 57.A OD1 no hydrogen 2.506 N/A SER 63.A N SER 60.A OG no hydrogen 3.219 N/A MET 64.A N SER 60.A O no hydrogen 3.042 N/A GLN 65.A N PHE 61.A O no hydrogen 2.691 N/A ARG 66.A N GLU 62.A O no hydrogen 3.091 N/A CYS 68.A N MET 64.A O no hydrogen 2.960 N/A CYS 68.A SG MET 64.A O no hydrogen 3.854 N/A ASP 69.A N GLN 65.A O no hydrogen 2.814 N/A LYS 70.A N ARG 66.A O no hydrogen 2.802 N/A LYS 70.A NZ ALA 50.A O no hydrogen 3.475 N/A TYR 71.A N LEU 67.A O no hydrogen 2.942 N/A TYR 71.A OH LYS 6.A O no hydrogen 2.782 N/A ASN 72.A N CYS 68.A O no hydrogen 2.768 N/A ASN 72.A ND2 ARG 4.A O no hydrogen 3.136 N/A ARG 73.A N ASP 69.A O no hydrogen 3.001 N/A ALA 74.A N LYS 70.A O no hydrogen 3.200 N/A ILE 75.A N TYR 71.A O no hydrogen 3.073 N/A ASP 76.A N ASN 72.A O no hydrogen 3.110 N/A SER 77.A N ARG 73.A O no hydrogen 2.968 N/A ILE 78.A N ALA 74.A O no hydrogen 2.914 N/A HIS 79.A N ILE 75.A O no hydrogen 2.919 N/A HIS 79.A NE2 PRO 8.A O no hydrogen 2.816 N/A GLN 80.A N ASP 76.A O no hydrogen 3.075 N/A LEU 81.A N SER 77.A O no hydrogen 3.133 N/A TRP 82.A N ILE 78.A O no hydrogen 3.106 N/A TRP 82.A N HIS 79.A O no hydrogen 3.138 N/A LYS 83.A N GLN 80.A O no hydrogen 2.956 N/A THR 86.A OG1 LEU 81.A O no hydrogen 3.440 N/A THR 93.A N LEU 91.A O no hydrogen 2.770 N/A THR 93.A OG1 LEU 91.A O no hydrogen 3.266 N/A ARG 94.A NH2 ALA 163.A O no hydrogen 2.814 N/A LEU 99.A N SER 96.A OG no hydrogen 3.371 N/A LEU 100.A N SER 96.A O no hydrogen 2.905 N/A ARG 101.A N THR 97.A O no hydrogen 2.781 N/A ARG 101.A NH2 ASP 130.A OD1 no hydrogen 3.061 N/A HIS 102.A N GLY 98.A O no hydrogen 3.147 N/A HIS 102.A NE2 THR 36.A OG1 no hydrogen 2.970 N/A ILE 103.A N LEU 99.A O no hydrogen 2.742 N/A LEU 104.A N LEU 100.A O no hydrogen 2.877 N/A GLN 105.A N ARG 101.A O no hydrogen 3.123 N/A GLN 106.A N HIS 102.A O no hydrogen 2.969 N/A GLN 106.A NE2 GLU 32.A OE2 no hydrogen 2.886 N/A GLN 106.A NE2 THR 36.A OG1 no hydrogen 3.160 N/A VAL 107.A N ILE 103.A O no hydrogen 2.871 N/A TYR 108.A N LEU 104.A O no hydrogen 3.012 N/A ASN 109.A N GLN 105.A O no hydrogen 3.108 N/A HIS 110.A N GLN 106.A O no hydrogen 2.933 N/A HIS 110.A NE2 GLU 32.A OE2 no hydrogen 2.667 N/A SER 111.A N TYR 108.A O no hydrogen 2.796 N/A SER 111.A OG VAL 107.A O no hydrogen 2.728 N/A VAL 112.A N TYR 108.A O no hydrogen 2.724 N/A GLU 116.A N ASP 114.A OD1 no hydrogen 3.401 N/A LYS 117.A N ASP 114.A O no hydrogen 3.428 N/A ASN 119.A ND2 LEU 118.A O no hydrogen 2.859 N/A GLU 126.A N GLU 122.A OE2 no hydrogen 2.991 N/A SER 128.A OG GLY 125.A O no hydrogen 3.405 N/A VAL 132.A N SER 128.A O no hydrogen 2.859 N/A ALA 133.A N PHE 129.A O no hydrogen 2.904 N/A GLN 134.A N ASP 130.A O no hydrogen 2.791 N/A GLN 134.A NE2 GLU 138.A OE2 no hydrogen 2.731 N/A GLN 134.A NE2 SER 285.A O no hydrogen 2.886 N/A MET 135.A N LEU 131.A O no hydrogen 2.996 N/A ILE 136.A N VAL 132.A O no hydrogen 2.796 N/A ASP 137.A N ALA 133.A O no hydrogen 3.074 N/A ASP 137.A N GLN 134.A O no hydrogen 2.901 N/A GLU 138.A N GLN 134.A O no hydrogen 3.105 N/A GLU 138.A N MET 135.A O no hydrogen 3.066 N/A ILE 139.A N MET 135.A O no hydrogen 3.023 N/A LYS 140.A N GLU 138.A O no hydrogen 3.166 N/A THR 142.A N ASP 145.A OD2 no hydrogen 2.796 N/A THR 142.A OG1 ASP 145.A OD2 no hydrogen 3.402 N/A ASP 144.A N THR 142.A OG1 no hydrogen 3.113 N/A ASP 145.A N THR 142.A O no hydrogen 3.033 N/A LEU 146.A N SER 224.A OG no hydrogen 2.958 N/A PHE 147.A N HIS 169.A O no hydrogen 3.224 N/A VAL 148.A N VAL 225.A O no hydrogen 3.002 N/A ASP 149.A N TYR 171.A O no hydrogen 2.985 N/A LEU 150.A N PHE 227.A O no hydrogen 3.110 N/A GLY 151.A N VAL 173.A O no hydrogen 2.975 N/A SER 152.A N VAL 173.A O no hydrogen 2.832 N/A GLY 153.A N GLU 174.A OE1 no hydrogen 2.926 N/A GLN 156.A N GLN 156.A OE1 no hydrogen 2.587 N/A GLN 156.A NE2 TYR 124.A O no hydrogen 3.125 N/A GLN 156.A NE2 GLY 125.A O no hydrogen 2.994 N/A LEU 159.A N GLY 155.A O no hydrogen 3.122 N/A GLN 160.A N GLN 156.A O no hydrogen 2.949 N/A GLN 160.A NE2 PHE 129.A O no hydrogen 2.953 N/A VAL 161.A N VAL 157.A O no hydrogen 3.055 N/A ALA 162.A N VAL 158.A O no hydrogen 2.891 N/A ALA 163.A N LEU 159.A O no hydrogen 2.949 N/A ALA 164.A N GLN 160.A O no hydrogen 3.031 N/A THR 165.A N VAL 161.A O no hydrogen 2.843 N/A THR 165.A OG1 VAL 161.A O no hydrogen 3.295 N/A LYS 168.A N ASP 145.A O no hydrogen 3.224 N/A HIS 169.A NE2 THR 205.A OG1 no hydrogen 3.110 N/A TYR 171.A N PHE 147.A O no hydrogen 2.916 N/A GLY 172.A N THR 205.A O no hydrogen 2.991 N/A VAL 173.A N ASP 149.A O no hydrogen 3.445 N/A ALA 176.A N GLU 174.A OE2 no hydrogen 2.951 N/A ALA 180.A N ALA 176.A O no hydrogen 3.387 N/A LYS 181.A N ASP 177.A O no hydrogen 3.045 N/A TYR 182.A N ILE 178.A O no hydrogen 2.993 N/A ALA 183.A N PRO 179.A O no hydrogen 2.773 N/A GLU 184.A N ALA 180.A O no hydrogen 3.167 N/A GLU 184.A N LYS 181.A O no hydrogen 3.024 N/A MET 186.A N TYR 182.A O no hydrogen 2.863 N/A ASP 187.A N ALA 183.A O no hydrogen 3.001 N/A ARG 188.A N GLU 184.A O no hydrogen 3.380 N/A GLU 189.A N THR 185.A O no hydrogen 2.947 N/A PHE 190.A N MET 186.A O no hydrogen 2.918 N/A ARG 191.A N ASP 187.A O no hydrogen 3.293 N/A ARG 191.A NE ASP 187.A OD1 no hydrogen 3.055 N/A LYS 192.A N ARG 188.A O no hydrogen 3.115 N/A LYS 192.A NZ GLU 189.A OE1 no hydrogen 3.404 N/A LYS 192.A NZ GLU 189.A OE2 no hydrogen 3.515 N/A TRP 193.A N GLU 189.A O no hydrogen 3.024 N/A MET 194.A N PHE 190.A O no hydrogen 2.959 N/A LYS 195.A N ARG 191.A O no hydrogen 3.113 N/A TRP 196.A N LYS 192.A O no hydrogen 2.933 N/A TYR 197.A N TRP 193.A O no hydrogen 3.032 N/A TYR 197.A OH GLN 106.A OE1 no hydrogen 2.797 N/A GLY 198.A N LYS 195.A O no hydrogen 2.676 N/A LYS 199.A N MET 194.A O no hydrogen 2.853 N/A LYS 199.A NZ THR 93.A OG1 no hydrogen 2.978 N/A LYS 200.A N THR 93.A O no hydrogen 2.737 N/A HIS 201.A ND1 ALA 202.A O no hydrogen 2.601 N/A ALA 202.A N ALA 162.A O no hydrogen 3.208 N/A TYR 204.A OH ASP 187.A OD1 no hydrogen 2.505 N/A THR 205.A N HIS 170.A O no hydrogen 2.820 N/A THR 205.A OG1 HIS 169.A NE2 no hydrogen 3.110 N/A GLU 207.A N GLY 172.A O no hydrogen 2.958 N/A GLY 209.A N GLU 174.A O no hydrogen 2.801 N/A LEU 212.A N ASP 210.A OD1 no hydrogen 2.761 N/A SER 213.A N ASP 210.A O no hydrogen 3.075 N/A SER 213.A OG ASP 210.A O no hydrogen 2.951 N/A ARG 217.A N GLU 214.A O no hydrogen 3.311 N/A ARG 219.A NH1 GLU 207.A OE2 no hydrogen 2.783 N/A ARG 219.A NH2 GLU 207.A OE1 no hydrogen 2.856 N/A ARG 219.A NH2 GLU 207.A OE2 no hydrogen 3.319 N/A ARG 219.A NH2 GLU 215.A OE1 no hydrogen 3.409 N/A ILE 220.A N TRP 216.A O no hydrogen 2.825 N/A ALA 221.A N ARG 217.A O no hydrogen 2.978 N/A ASN 222.A N GLU 218.A O no hydrogen 3.042 N/A ASN 222.A N ARG 219.A O no hydrogen 3.119 N/A THR 223.A N ILE 220.A O no hydrogen 3.283 N/A THR 223.A OG1 ARG 219.A O no hydrogen 2.915 N/A SER 224.A OG ASP 145.A OD1 no hydrogen 3.125 N/A SER 224.A OG LEU 146.A O no hydrogen 3.410 N/A VAL 225.A N LEU 146.A O no hydrogen 2.839 N/A ILE 226.A N ARG 253.A O no hydrogen 2.976 N/A PHE 227.A N VAL 148.A O no hydrogen 2.883 N/A VAL 228.A N VAL 255.A O no hydrogen 3.187 N/A ASN 230.A ND2 ASP 238.A OD1 no hydrogen 3.526 N/A ASN 230.A ND2 LYS 258.A O no hydrogen 3.206 N/A PHE 233.A N ASN 230.A O no hydrogen 3.089 N/A ASP 238.A N GLY 234.A O no hydrogen 3.469 N/A HIS 239.A N PRO 235.A O no hydrogen 3.283 N/A GLN 240.A N GLU 236.A O no hydrogen 3.227 N/A LEU 241.A N VAL 237.A O no hydrogen 3.068 N/A LYS 242.A N ASP 238.A O no hydrogen 3.023 N/A LYS 242.A NZ PHE 260.A O no hydrogen 3.530 N/A GLU 243.A N HIS 239.A O no hydrogen 3.384 N/A ARG 244.A N GLN 240.A O no hydrogen 3.290 N/A ARG 244.A NH1 GLN 240.A O no hydrogen 2.619 N/A ARG 244.A NH2 LEU 212.A O no hydrogen 3.433 N/A PHE 245.A N LEU 241.A O no hydrogen 2.782 N/A ALA 246.A N LYS 242.A O no hydrogen 3.182 N/A ALA 246.A N GLU 243.A O no hydrogen 3.073 N/A MET 248.A N PHE 245.A O no hydrogen 3.060 N/A GLY 251.A N ILE 305.A O no hydrogen 2.912 N/A ARG 253.A N SER 224.A O no hydrogen 2.784 N/A ARG 253.A NH1 LYS 140.A O no hydrogen 3.438 N/A ARG 253.A NH2 LYS 140.A O no hydrogen 3.119 N/A ILE 254.A N HIS 303.A O no hydrogen 2.846 N/A VAL 255.A N ILE 226.A O no hydrogen 2.947 N/A SER 256.A N TYR 301.A O no hydrogen 2.988 N/A SER 256.A OG LYS 258.A O no hydrogen 2.549 N/A SER 257.A N ASN 230.A OD1 no hydrogen 3.099 N/A SER 257.A OG ASN 229.A OD1 no hydrogen 2.940 N/A SER 257.A OG ASN 230.A OD1 no hydrogen 3.340 N/A LYS 258.A N ASN 230.A OD1 no hydrogen 2.966 N/A PHE 260.A N HIS 303.A NE2 no hydrogen 3.234 N/A ASN 268.A N ASN 271.A OD1 no hydrogen 3.104 N/A ARG 270.A N ASN 268.A OD1 no hydrogen 2.701 N/A ASN 271.A ND2 ARG 266.A O no hydrogen 3.059 N/A ASP 274.A N ASN 271.A O no hydrogen 2.999 N/A THR 277.A N ASP 274.A O no hydrogen 3.092 N/A THR 277.A OG1 ASP 274.A O no hydrogen 2.669 N/A ILE 278.A N ILE 275.A O no hydrogen 2.816 N/A ARG 280.A N THR 304.A O no hydrogen 2.887 N/A VAL 282.A N LEU 302.A O no hydrogen 2.880 N/A LEU 284.A N TYR 300.A O no hydrogen 2.697 N/A SER 290.A N LEU 287.A O no hydrogen 3.218 N/A SER 290.A OG LEU 287.A O no hydrogen 3.237 N/A SER 292.A N LYS 296.A O no hydrogen 2.679 N/A GLY 295.A N SER 292.A O no hydrogen 2.967 N/A TYR 301.A N SER 256.A O no hydrogen 3.050 N/A LEU 302.A N VAL 282.A O no hydrogen 2.972 N/A HIS 303.A N ILE 254.A O no hydrogen 2.753 N/A HIS 303.A ND1 ILE 254.A O no hydrogen 2.925 N/A THR 304.A N ARG 280.A O no hydrogen 2.798 N/A ILE 305.A N GLY 252.A O no hydrogen 2.874 N/A ASP 306.A N ILE 278.A O no hydrogen 2.842 N/A ARG 307.A N GLU 250.A OE1 no hydrogen 2.728 N/A ARG 307.A NH1 MET 248.A O no hydrogen 2.734 N/A ARG 307.A NH2 MET 248.A O no hydrogen 3.254 N/A THR 308.A OG1 ASP 306.A OD1 no hydrogen 2.948 N/A THR 308.A OG1 ASP 306.A OD2 no hydrogen 3.413 N/A LEU 310.A N ARG 307.A O no hydrogen 2.724 N/A GLU 311.A N ARG 307.A O no hydrogen 3.386 N/A ASN 312.A N THR 308.A O no hydrogen 3.209 N/A TYR 313.A N LEU 310.A O no hydrogen 2.753 N/A PHE 314.A N LEU 310.A O no hydrogen 3.146 N/A SER 315.A OG GLU 311.A O no hydrogen 3.539 N/A SER 315.A OG PHE 314.A O no hydrogen 2.802 N/A SER 316.A N ASN 312.A O no hydrogen 3.119 N/A SER 316.A OG TYR 313.A O no hydrogen 3.014 N/A