Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jyl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 22.A OE2 no hydrogen 3.397 N/A ALA 2.A N PHE 21.A O no hydrogen 3.150 N/A LYS 3.A NZ ASP 20.A OD2 no hydrogen 2.511 N/A ARG 4.A N VAL 19.A O no hydrogen 2.849 N/A ARG 4.A NH1 GLN 6.A OE1 no hydrogen 2.796 N/A ILE 5.A N TYR 95.A O no hydrogen 2.777 N/A GLN 6.A N GLU 17.A O no hydrogen 2.895 N/A PHE 7.A N SER 59.A O no hydrogen 3.041 N/A GLY 11.A N ARG 48.A O no hydrogen 2.704 N/A GLY 12.A N GLU 14.A OE2 no hydrogen 3.241 N/A VAL 15.A N GLY 12.A O no hydrogen 2.867 N/A LEU 16.A N PRO 13.A O no hydrogen 3.094 N/A GLU 17.A N GLN 6.A O no hydrogen 2.777 N/A VAL 19.A N ARG 4.A O no hydrogen 3.001 N/A PHE 21.A N ALA 2.A O no hydrogen 2.749 N/A ALA 30.A N GLY 27.A O no hydrogen 3.052 N/A VAL 31.A N LEU 101.A O no hydrogen 2.871 N/A VAL 32.A N ALA 71.A O no hydrogen 2.822 N/A VAL 33.A N HIS 99.A O no hydrogen 2.838 N/A ARG 34.A N VAL 68.A O no hydrogen 2.754 N/A ASN 35.A ND2 TYR 87.A OH no hydrogen 2.609 N/A LYS 36.A N ALA 66.A O no hydrogen 2.739 N/A ALA 37.A N ALA 66.A O no hydrogen 3.250 N/A ILE 38.A N LEU 323.A O no hydrogen 2.724 N/A GLY 39.A N GLU 64.A O no hydrogen 2.892 N/A ASN 41.A N ASP 44.A OD2 no hydrogen 3.015 N/A ASN 41.A ND2 GLU 64.A OE1 no hydrogen 2.886 N/A ASP 44.A N ASN 41.A O no hydrogen 3.030 N/A THR 45.A OG1 PHE 42.A O no hydrogen 2.702 N/A TYR 46.A N PHE 42.A O no hydrogen 3.082 N/A TYR 47.A N ILE 43.A O no hydrogen 3.150 N/A ARG 48.A N ASP 44.A O no hydrogen 3.122 N/A ARG 48.A NH1 GLY 11.A O no hydrogen 3.103 N/A SER 49.A N THR 45.A O no hydrogen 2.807 N/A SER 49.A OG THR 45.A O no hydrogen 3.090 N/A SER 49.A OG TYR 46.A O no hydrogen 3.336 N/A GLY 50.A N TYR 47.A O no hydrogen 3.286 N/A TYR 52.A N TYR 46.A O no hydrogen 3.074 N/A SER 59.A N PHE 7.A O no hydrogen 2.841 N/A SER 59.A OG GLY 60.A O no hydrogen 3.065 N/A GLY 65.A N TYR 87.A O no hydrogen 2.875 N/A ALA 66.A N ALA 37.A O no hydrogen 2.988 N/A GLY 67.A N VAL 85.A O no hydrogen 2.859 N/A VAL 69.A N ASP 83.A O no hydrogen 2.775 N/A GLU 70.A N VAL 32.A O no hydrogen 2.756 N/A GLY 73.A N ALA 30.A O no hydrogen 2.969 N/A GLU 75.A N PRO 28.A O no hydrogen 2.973 N/A VAL 76.A N GLY 73.A O no hydrogen 3.097 N/A ARG 78.A NH1 LEU 106.A O no hydrogen 2.561 N/A LYS 80.A N ASP 83.A OD2 no hydrogen 2.679 N/A LYS 80.A NZ ASP 83.A OD1 no hydrogen 3.495 N/A GLY 82.A N VAL 69.A O no hydrogen 2.712 N/A ASP 83.A N LYS 80.A O no hydrogen 3.027 N/A ARG 84.A NH1 VAL 113.A O no hydrogen 3.505 N/A ARG 84.A NH2 ALA 110.A O no hydrogen 2.802 N/A ARG 84.A NH2 VAL 113.A O no hydrogen 2.503 N/A VAL 85.A N GLY 67.A O no hydrogen 2.804 N/A ALA 86.A N VAL 107.A O no hydrogen 3.057 N/A TYR 87.A N GLY 65.A O no hydrogen 2.837 N/A GLY 93.A N LEU 61.A O no hydrogen 3.191 N/A GLY 93.A N GLY 62.A O no hydrogen 2.959 N/A ALA 94.A N GLY 62.A O no hydrogen 2.725 N/A TYR 95.A N LEU 61.A O no hydrogen 2.768 N/A TYR 95.A OH ASP 44.A OD2 no hydrogen 2.522 N/A SER 96.A N ALA 94.A O no hydrogen 2.707 N/A SER 96.A OG GLY 93.A O no hydrogen 2.778 N/A SER 96.A OG VAL 98.A O no hydrogen 2.836 N/A GLU 97.A N LYS 3.A O no hydrogen 3.265 N/A HIS 99.A N VAL 33.A O no hydrogen 3.155 N/A LEU 101.A N VAL 31.A O no hydrogen 3.194 N/A GLU 103.A N GLN 29.A O no hydrogen 2.962 N/A ASN 105.A N PRO 102.A O no hydrogen 3.384 N/A ASN 105.A ND2 THR 89.A OG1 no hydrogen 3.016 N/A LEU 106.A N GLU 103.A O no hydrogen 3.055 N/A VAL 107.A N ALA 86.A O no hydrogen 3.108 N/A LYS 108.A NZ ASP 83.A OD2 no hydrogen 2.682 N/A LEU 109.A N ARG 84.A O no hydrogen 2.976 N/A VAL 113.A N ALA 110.A O no hydrogen 3.211 N/A SER 114.A N GLN 117.A OE1 no hydrogen 2.767 N/A SER 114.A OG GLU 116.A OE1 no hydrogen 3.396 N/A SER 114.A OG GLN 117.A OE1 no hydrogen 3.053 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.808 N/A GLN 117.A N SER 114.A OG no hydrogen 3.182 N/A ALA 118.A N SER 114.A O no hydrogen 3.028 N/A ALA 119.A N PHE 115.A O no hydrogen 2.944 N/A ALA 120.A N GLU 116.A O no hydrogen 3.115 N/A ALA 120.A N GLN 117.A O no hydrogen 3.157 N/A LEU 121.A N ALA 118.A O no hydrogen 3.183 N/A MET 122.A N ALA 118.A O no hydrogen 2.873 N/A LEU 123.A N GLU 64.A OE2 no hydrogen 2.591 N/A LYS 124.A NZ LEU 40.A O no hydrogen 2.757 N/A LYS 124.A NZ ASN 41.A OD1 no hydrogen 2.832 N/A LYS 124.A NZ GLU 64.A OE1 no hydrogen 3.342 N/A GLY 125.A N LEU 121.A O no hydrogen 2.836 N/A LEU 126.A N MET 122.A O no hydrogen 2.868 N/A THR 127.A N LEU 123.A O no hydrogen 3.029 N/A THR 127.A OG1 LEU 123.A O no hydrogen 2.647 N/A VAL 128.A N LYS 124.A O no hydrogen 2.911 N/A GLN 129.A N GLY 125.A O no hydrogen 2.864 N/A TYR 130.A N LEU 126.A O no hydrogen 3.002 N/A LEU 131.A N THR 127.A O no hydrogen 2.927 N/A LEU 132.A N VAL 128.A O no hydrogen 2.906 N/A ARG 133.A N GLN 129.A O no hydrogen 2.865 N/A ARG 133.A NE LEU 132.A O no hydrogen 2.961 N/A ARG 133.A NH2 LEU 132.A O no hydrogen 3.124 N/A GLN 134.A N TYR 130.A O no hydrogen 2.896 N/A GLN 134.A NE2 GLN 129.A OE1 no hydrogen 2.862 N/A THR 135.A N TYR 130.A O no hydrogen 2.692 N/A THR 135.A OG1 TYR 130.A O no hydrogen 3.308 N/A THR 135.A OG1 TYR 269.A OH no hydrogen 2.799 N/A TYR 136.A OH GLU 142.A OE2 no hydrogen 2.502 N/A VAL 138.A N LEU 132.A O no hydrogen 3.199 N/A LYS 139.A N GLU 142.A OE1 no hydrogen 2.674 N/A GLY 141.A N GLY 165.A O no hydrogen 2.575 N/A GLU 142.A N LYS 139.A O no hydrogen 3.210 N/A ILE 144.A N LYS 167.A O no hydrogen 2.874 N/A LEU 145.A N VAL 212.A O no hydrogen 3.328 N/A PHE 146.A N ILE 169.A O no hydrogen 2.850 N/A HIS 147.A N TYR 214.A O no hydrogen 3.095 N/A HIS 147.A NE2 SER 225.A OG no hydrogen 2.859 N/A ALA 148.A N THR 171.A OG1 no hydrogen 2.937 N/A ALA 149.A N THR 171.A O no hydrogen 2.908 N/A GLY 151.A N ALA 148.A O no hydrogen 3.146 N/A SER 155.A N GLY 151.A O no hydrogen 2.799 N/A SER 155.A OG ALA 150.A O no hydrogen 3.003 N/A SER 155.A OG GLY 151.A O no hydrogen 2.735 N/A SER 155.A OG HIS 180.A NE2 no hydrogen 3.207 N/A ALA 157.A N VAL 153.A O no hydrogen 2.836 N/A CYS 158.A N GLY 154.A O no hydrogen 2.740 N/A CYS 158.A SG ALA 149.A O no hydrogen 3.423 N/A CYS 158.A SG GLY 154.A O no hydrogen 3.470 N/A CYS 158.A SG ALA 181.A O no hydrogen 3.504 N/A GLN 159.A N SER 155.A O no hydrogen 3.358 N/A GLN 159.A NE2 SER 155.A O no hydrogen 3.536 N/A GLN 159.A NE2 LYS 293.A O no hydrogen 3.445 N/A TRP 160.A N LEU 156.A O no hydrogen 2.986 N/A ALA 161.A N ALA 157.A O no hydrogen 2.885 N/A LYS 162.A N CYS 158.A O no hydrogen 3.248 N/A ALA 163.A N GLN 159.A O no hydrogen 3.060 N/A LEU 164.A N TRP 160.A O no hydrogen 2.854 N/A GLY 165.A N LYS 162.A O no hydrogen 2.927 N/A ALA 166.A N ALA 161.A O no hydrogen 2.993 N/A LYS 167.A N GLU 142.A O no hydrogen 2.746 N/A ILE 169.A N ILE 144.A O no hydrogen 2.647 N/A GLY 170.A N GLU 188.A O no hydrogen 3.101 N/A THR 171.A N PHE 146.A O no hydrogen 3.151 N/A VAL 172.A N ILE 190.A O no hydrogen 2.959 N/A SER 174.A OG GLU 176.A OE1 no hydrogen 3.464 N/A LYS 177.A N SER 174.A OG no hydrogen 3.199 N/A LYS 177.A NZ SER 173.A OG no hydrogen 3.074 N/A LYS 177.A NZ ARG 315.A O no hydrogen 2.890 N/A ALA 178.A N SER 174.A O no hydrogen 3.006 N/A ALA 179.A N PRO 175.A O no hydrogen 3.130 N/A HIS 180.A N GLU 176.A O no hydrogen 3.015 N/A HIS 180.A NE2 SER 155.A OG no hydrogen 3.207 N/A ALA 181.A N LYS 177.A O no hydrogen 2.871 N/A LYS 182.A N ALA 178.A O no hydrogen 2.847 N/A ALA 183.A N ALA 179.A O no hydrogen 2.960 N/A LEU 184.A N HIS 180.A O no hydrogen 3.193 N/A GLY 185.A N ALA 181.A O no hydrogen 3.241 N/A GLY 185.A N LYS 182.A O no hydrogen 3.112 N/A ALA 186.A N ALA 181.A O no hydrogen 3.016 N/A GLU 188.A N LEU 168.A O no hydrogen 3.333 N/A THR 189.A N GLU 188.A OE2 no hydrogen 3.289 N/A THR 189.A OG1 GLY 170.A O no hydrogen 3.570 N/A ILE 190.A N GLY 170.A O no hydrogen 2.960 N/A TYR 192.A N VAL 172.A O no hydrogen 2.998 N/A SER 193.A N ASP 191.A OD1 no hydrogen 2.812 N/A SER 193.A OG SER 173.A O no hydrogen 3.154 N/A SER 193.A OG ASP 191.A OD1 no hydrogen 2.936 N/A ALA 198.A N ASP 196.A OD1 no hydrogen 3.316 N/A ARG 200.A N ASP 196.A O no hydrogen 2.880 N/A ARG 200.A NE GLU 195.A OE2 no hydrogen 3.537 N/A ARG 200.A NH1 GLU 203.A OE1 no hydrogen 2.738 N/A VAL 201.A N VAL 197.A O no hydrogen 2.919 N/A LEU 202.A N ALA 198.A O no hydrogen 3.221 N/A GLU 203.A N LYS 199.A O no hydrogen 3.250 N/A LEU 204.A N ARG 200.A O no hydrogen 2.999 N/A THR 205.A N VAL 201.A O no hydrogen 2.932 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.827 N/A THR 205.A OG1 LEU 202.A O no hydrogen 3.299 N/A ASP 206.A N GLU 203.A O no hydrogen 3.368 N/A GLY 207.A N LEU 202.A O no hydrogen 2.814 N/A LYS 208.A N THR 205.A O no hydrogen 3.229 N/A LYS 209.A N THR 205.A OG1 no hydrogen 2.691 N/A LYS 209.A NZ ASP 227.A O no hydrogen 3.424 N/A CYS 210.A N SER 228.A O no hydrogen 3.027 N/A CYS 210.A SG ILE 143.A O no hydrogen 3.622 N/A VAL 213.A N LEU 234.A O no hydrogen 2.888 N/A TYR 214.A N LEU 145.A O no hydrogen 2.726 N/A TYR 214.A OH LEU 131.A O no hydrogen 2.670 N/A ASP 215.A N VAL 236.A O no hydrogen 2.747 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 3.016 N/A GLY 218.A N ASP 215.A OD1 no hydrogen 3.121 N/A GLN 219.A N GLY 243.A O no hydrogen 2.957 N/A ASP 220.A N SER 242.A OG no hydrogen 2.970 N/A THR 221.A OG1 ASP 215.A OD1 no hydrogen 3.097 N/A THR 221.A OG1 ASP 215.A OD2 no hydrogen 2.794 N/A TRP 222.A N GLN 219.A O no hydrogen 2.809 N/A SER 225.A N THR 221.A O no hydrogen 3.136 N/A SER 225.A OG HIS 147.A NE2 no hydrogen 2.859 N/A SER 225.A OG ASP 215.A OD2 no hydrogen 2.593 N/A SER 225.A OG THR 221.A O no hydrogen 3.101 N/A LEU 226.A N TRP 222.A O no hydrogen 3.166 N/A ASP 227.A N LEU 223.A O no hydrogen 3.031 N/A SER 228.A N SER 225.A O no hydrogen 2.993 N/A SER 228.A OG THR 224.A O no hydrogen 2.727 N/A ALA 230.A N CYS 210.A O no hydrogen 2.706 N/A ARG 232.A N ASP 257.A O no hydrogen 3.119 N/A GLY 233.A N ALA 230.A O no hydrogen 2.725 N/A LEU 234.A N PRO 211.A O no hydrogen 3.033 N/A VAL 235.A N TYR 260.A O no hydrogen 2.886 N/A VAL 236.A N VAL 213.A O no hydrogen 2.777 N/A SER 237.A N THR 262.A O no hydrogen 2.933 N/A PHE 238.A N ASP 215.A O no hydrogen 2.993 N/A ALA 241.A N GLY 216.A O no hydrogen 3.460 N/A SER 242.A N VAL 217.A O no hydrogen 2.677 N/A SER 242.A OG VAL 217.A O no hydrogen 2.880 N/A GLY 243.A N ASN 240.A O no hydrogen 2.701 N/A SER 246.A N GLN 219.A OE1 no hydrogen 3.077 N/A GLY 251.A N ASN 249.A OD1 no hydrogen 3.087 N/A ILE 252.A N ASN 249.A O no hydrogen 2.651 N/A LEU 253.A N LEU 250.A O no hydrogen 2.772 N/A GLN 255.A N GLY 251.A O no hydrogen 3.104 N/A LYS 256.A N ILE 252.A O no hydrogen 3.052 N/A ASP 257.A N ALA 254.A O no hydrogen 2.918 N/A SER 258.A N ALA 254.A O no hydrogen 3.386 N/A VAL 259.A N LEU 253.A O no hydrogen 3.088 N/A TYR 260.A N GLY 233.A O no hydrogen 2.727 N/A THR 262.A N VAL 235.A O no hydrogen 3.057 N/A ARG 263.A NH1 PRO 264.A O no hydrogen 3.042 N/A SER 268.A N THR 265.A O no hydrogen 2.930 N/A TYR 269.A N THR 265.A O no hydrogen 3.444 N/A ALA 270.A N LEU 266.A O no hydrogen 2.886 N/A ASN 271.A ND2 SER 268.A O no hydrogen 3.455 N/A ASN 271.A ND2 ASN 275.A OD1 no hydrogen 3.102 N/A ASN 272.A ND2 ASN 275.A OD1 no hydrogen 2.882 N/A ASN 275.A N ASN 272.A OD1 no hydrogen 2.242 N/A GLN 277.A NE2 LEU 106.A O no hydrogen 3.413 N/A GLN 277.A NE2 ALA 273.A O no hydrogen 3.404 N/A THR 278.A N GLN 274.A O no hydrogen 3.391 N/A THR 278.A OG1 GLN 274.A O no hydrogen 3.266 N/A ALA 280.A N LEU 276.A O no hydrogen 2.614 N/A ASP 281.A N GLN 277.A O no hydrogen 2.768 N/A GLU 282.A N THR 278.A O no hydrogen 3.277 N/A LEU 283.A N MET 279.A O no hydrogen 2.931 N/A PHE 284.A N ALA 280.A O no hydrogen 3.011 N/A ASP 285.A N ASP 281.A O no hydrogen 2.969 N/A MET 286.A N GLU 282.A O no hydrogen 2.947 N/A LEU 287.A N LEU 283.A O no hydrogen 3.178 N/A ALA 288.A N PHE 284.A O no hydrogen 2.871 N/A SER 289.A N ASP 285.A O no hydrogen 3.346 N/A SER 289.A OG ASP 285.A O no hydrogen 2.756 N/A SER 289.A OG MET 286.A O no hydrogen 3.084 N/A GLY 290.A N LEU 287.A O no hydrogen 2.899 N/A LYS 291.A N MET 286.A O no hydrogen 3.019 N/A LEU 292.A N MET 286.A O no hydrogen 3.321 N/A LYS 293.A N GLN 159.A OE1 no hydrogen 2.708 N/A GLU 298.A N SER 320.A O no hydrogen 2.928 N/A TYR 300.A N ILE 322.A O no hydrogen 3.020 N/A LEU 302.A N ILE 324.A O no hydrogen 2.986 N/A ASP 304.A N ALA 301.A O no hydrogen 2.860 N/A ALA 305.A N LEU 302.A O no hydrogen 3.059 N/A ALA 308.A N ASP 304.A O no hydrogen 3.113 N/A GLN 309.A N ALA 305.A O no hydrogen 2.749 N/A ILE 310.A N ALA 306.A O no hydrogen 2.855 N/A GLU 311.A N LYS 307.A O no hydrogen 3.216 N/A LEU 312.A N ALA 308.A O no hydrogen 2.977 N/A SER 313.A N GLN 309.A O no hydrogen 3.012 N/A SER 313.A OG GLN 309.A O no hydrogen 3.415 N/A ALA 314.A N ILE 310.A O no hydrogen 2.940 N/A ARG 315.A N GLU 311.A O no hydrogen 3.129 N/A ARG 315.A N LEU 312.A O no hydrogen 3.012 N/A THR 321.A OG1 GLY 319.A O no hydrogen 3.533 N/A ILE 322.A N GLU 298.A O no hydrogen 3.046 N/A LEU 323.A N ILE 38.A O no hydrogen 2.660 N/A ILE 324.A N TYR 300.A O no hydrogen 2.759 N/A