Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jwl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N TYR 6.A O no hydrogen 3.042 N/A TYR 11.A N ASP 7.A O no hydrogen 3.423 N/A GLY 13.A N GLU 10.A O no hydrogen 3.335 N/A VAL 14.A N ALA 9.A O no hydrogen 2.647 N/A VAL 19.A N SER 15.A O no hydrogen 3.374 N/A SER 20.A N TYR 16.A O no hydrogen 3.253 N/A ARG 21.A N GLN 17.A O no hydrogen 2.885 N/A VAL 22.A N THR 18.A O no hydrogen 3.176 N/A VAL 23.A N VAL 19.A O no hydrogen 2.860 N/A ASN 24.A N SER 20.A O no hydrogen 2.961 N/A GLN 25.A N VAL 22.A O no hydrogen 3.234 N/A ALA 26.A N ARG 21.A O no hydrogen 2.728 N/A ALA 31.A N VAL 29.A O no hydrogen 2.414 N/A THR 33.A N SER 30.A O no hydrogen 3.084 N/A LYS 36.A N LYS 32.A O no hydrogen 3.268 N/A LYS 36.A N THR 33.A O no hydrogen 3.211 N/A VAL 37.A N THR 33.A O no hydrogen 2.990 N/A GLU 38.A N ARG 34.A O no hydrogen 3.043 N/A ALA 40.A N LYS 36.A O no hydrogen 3.078 N/A MET 41.A N VAL 37.A O no hydrogen 3.069 N/A ALA 42.A N GLU 38.A O no hydrogen 3.092 N/A GLU 43.A N ALA 39.A O no hydrogen 3.252 N/A ASN 45.A N MET 41.A O no hydrogen 2.933 N/A ALA 52.A N ASN 49.A O no hydrogen 2.689 N/A GLN 53.A N ASN 49.A O no hydrogen 3.152 N/A GLN 54.A N ARG 50.A O no hydrogen 3.094 N/A ALA 56.A N ALA 52.A O no hydrogen 2.856 N/A GLY 57.A N GLN 54.A O no hydrogen 2.913 N/A LYS 58.A N GLN 53.A O no hydrogen 2.917 N/A ILE 63.A N SER 92.A O no hydrogen 2.993 N/A GLY 64.A N GLY 120.A O no hydrogen 3.001 N/A VAL 65.A N VAL 94.A O no hydrogen 2.909 N/A ALA 66.A N ILE 122.A O no hydrogen 2.984 N/A THR 67.A N SER 96.A O no hydrogen 3.256 N/A THR 67.A OG1 SER 68.A O no hydrogen 3.144 N/A SER 68.A N ASN 124.A O no hydrogen 3.007 N/A SER 68.A OG ASN 124.A O no hydrogen 3.122 N/A ALA 71.A N SER 69.A OG no hydrogen 3.112 N/A LEU 72.A N SER 69.A O no hydrogen 3.283 N/A SER 76.A N LEU 72.A O no hydrogen 3.300 N/A SER 76.A OG HIS 73.A O no hydrogen 2.679 N/A GLN 77.A N HIS 73.A O no hydrogen 3.124 N/A GLN 77.A NE2 SER 76.A OG no hydrogen 3.332 N/A ILE 78.A N ALA 74.A O no hydrogen 2.962 N/A VAL 79.A N PRO 75.A O no hydrogen 2.837 N/A ALA 80.A N SER 76.A O no hydrogen 2.812 N/A ALA 81.A N GLN 77.A O no hydrogen 2.988 N/A ILE 82.A N ILE 78.A O no hydrogen 2.828 N/A LYS 83.A N VAL 79.A O no hydrogen 2.875 N/A LYS 83.A NZ VAL 93.A O no hydrogen 3.113 N/A SER 84.A N ALA 80.A O no hydrogen 2.839 N/A ARG 85.A N ALA 81.A O no hydrogen 2.943 N/A ALA 86.A N ILE 82.A O no hydrogen 2.740 N/A ASP 87.A N LYS 83.A O no hydrogen 2.823 N/A GLN 88.A N SER 84.A O no hydrogen 3.080 N/A LEU 89.A N ALA 86.A O no hydrogen 2.754 N/A GLY 90.A N ASP 87.A O no hydrogen 2.849 N/A ALA 91.A N ALA 86.A O no hydrogen 2.845 N/A VAL 94.A N ILE 63.A O no hydrogen 2.964 N/A SER 96.A N VAL 65.A O no hydrogen 2.635 N/A VAL 98.A N THR 67.A O no hydrogen 3.006 N/A GLY 102.A N TYR 125.A OH no hydrogen 3.087 N/A CYS 106.A N GLY 102.A O no hydrogen 3.464 N/A LYS 107.A N VAL 103.A O no hydrogen 2.817 N/A LYS 107.A N GLU 104.A O no hydrogen 3.013 N/A THR 108.A N GLU 104.A O no hydrogen 2.786 N/A THR 108.A OG1 GLU 104.A O no hydrogen 2.962 N/A ALA 109.A N ALA 105.A O no hydrogen 2.988 N/A VAL 110.A N CYS 106.A O no hydrogen 3.192 N/A HIS 111.A N LYS 107.A O no hydrogen 2.664 N/A ASN 112.A N THR 108.A O no hydrogen 3.079 N/A LEU 113.A N ALA 109.A O no hydrogen 3.076 N/A LEU 114.A N VAL 110.A O no hydrogen 2.887 N/A ALA 115.A N HIS 111.A O no hydrogen 2.866 N/A GLN 116.A N ASN 112.A O no hydrogen 3.141 N/A ARG 117.A N LEU 114.A O no hydrogen 2.642 N/A ARG 117.A NH1 LEU 114.A O no hydrogen 3.195 N/A SER 119.A N LEU 62.A O no hydrogen 2.727 N/A SER 119.A OG LEU 62.A O no hydrogen 3.479 N/A LEU 121.A N PRO 143.A O no hydrogen 2.706 N/A ILE 122.A N GLY 64.A O no hydrogen 2.941 N/A ILE 123.A N LEU 145.A O no hydrogen 2.845 N/A ASN 124.A N ALA 66.A O no hydrogen 2.723 N/A TYR 125.A OH ARG 100.A O no hydrogen 3.146 N/A TYR 125.A OH GLY 102.A O no hydrogen 3.341 N/A LEU 127.A N ASP 148.A O no hydrogen 3.194 N/A ALA 132.A N ASP 128.A O no hydrogen 2.691 N/A ILE 133.A N ASP 129.A O no hydrogen 2.913 N/A ALA 134.A N GLN 130.A O no hydrogen 2.710 N/A VAL 135.A N ASP 131.A O no hydrogen 2.930 N/A GLU 136.A N ALA 132.A O no hydrogen 2.818 N/A ALA 137.A N ILE 133.A O no hydrogen 2.953 N/A ALA 138.A N ALA 134.A O no hydrogen 2.926 N/A CYS 139.A N VAL 135.A O no hydrogen 3.237 N/A CYS 139.A SG VAL 135.A O no hydrogen 3.437 N/A THR 140.A N ALA 138.A O no hydrogen 2.603 N/A THR 140.A OG1 ALA 138.A O no hydrogen 3.132 N/A LEU 145.A N LEU 121.A O no hydrogen 2.968 N/A PHE 146.A N ASN 156.A O no hydrogen 2.899 N/A LEU 147.A N ILE 123.A O no hydrogen 3.041 N/A SER 150.A OG ASP 151.A OD2 no hydrogen 2.991 N/A GLN 152.A N SER 150.A OG no hydrogen 3.038 N/A THR 153.A N SER 150.A O no hydrogen 3.060 N/A THR 153.A OG1 ASP 129.A OD2 no hydrogen 2.540 N/A THR 153.A OG1 SER 150.A O no hydrogen 3.166 N/A ILE 155.A N THR 153.A O no hydrogen 2.796 N/A ASN 156.A ND2 ALA 144.A O no hydrogen 3.597 N/A SER 157.A N GLY 314.A O no hydrogen 2.757 N/A ILE 158.A N PHE 146.A O no hydrogen 2.918 N/A ILE 159.A N GLN 316.A O no hydrogen 3.096 N/A SER 161.A N LEU 318.A O no hydrogen 3.004 N/A SER 161.A OG ASP 164.A OD2 no hydrogen 2.831 N/A ASP 164.A N SER 161.A OG no hydrogen 2.825 N/A GLY 165.A N SER 161.A O no hydrogen 2.874 N/A THR 166.A N HIS 162.A O no hydrogen 3.014 N/A THR 166.A OG1 HIS 162.A O no hydrogen 2.581 N/A THR 166.A OG1 GLU 163.A O no hydrogen 3.131 N/A ARG 167.A N GLU 163.A O no hydrogen 3.209 N/A LEU 168.A N ASP 164.A O no hydrogen 3.043 N/A GLY 169.A N GLY 165.A O no hydrogen 3.113 N/A VAL 170.A N THR 166.A O no hydrogen 2.923 N/A GLU 171.A N ARG 167.A O no hydrogen 2.627 N/A HIS 172.A N LEU 168.A O no hydrogen 3.135 N/A HIS 172.A NE2 THR 328.A OG1 no hydrogen 2.835 N/A LEU 173.A N GLY 169.A O no hydrogen 3.140 N/A VAL 174.A N VAL 170.A O no hydrogen 2.989 N/A ALA 175.A N GLU 171.A O no hydrogen 2.983 N/A LEU 176.A N HIS 172.A O no hydrogen 3.179 N/A GLY 177.A N VAL 174.A O no hydrogen 2.501 N/A HIS 178.A N LEU 173.A O no hydrogen 2.903 N/A HIS 178.A ND1 THR 239.A OG1 no hydrogen 2.794 N/A ALA 182.A N ALA 240.A O no hydrogen 3.219 N/A LEU 183.A N ALA 213.A O no hydrogen 2.709 N/A LEU 184.A N LEU 242.A O no hydrogen 2.962 N/A ALA 185.A N ARG 215.A O no hydrogen 2.747 N/A LEU 188.A N GLU 216.A OE2 no hydrogen 3.243 N/A SER 190.A N PRO 187.A O no hydrogen 2.842 N/A ALA 193.A N SER 190.A O no hydrogen 2.696 N/A ARG 194.A N SER 190.A O no hydrogen 3.050 N/A ARG 194.A NH1 LEU 188.A O no hydrogen 2.899 N/A ARG 194.A NH2 ASP 128.A OD2 no hydrogen 2.825 N/A LEU 195.A N VAL 191.A O no hydrogen 2.904 N/A ARG 196.A N SER 192.A O no hydrogen 3.319 N/A LEU 197.A N ALA 193.A O no hydrogen 2.984 N/A ALA 198.A N ARG 194.A O no hydrogen 2.738 N/A GLY 199.A N LEU 195.A O no hydrogen 2.708 N/A TRP 200.A N ARG 196.A O no hydrogen 2.964 N/A HIS 201.A N LEU 197.A O no hydrogen 2.949 N/A LYS 202.A N ALA 198.A O no hydrogen 2.686 N/A LYS 202.A NZ GLU 163.A OE1 no hydrogen 2.326 N/A LYS 202.A NZ TYR 203.A OH no hydrogen 3.388 N/A TYR 203.A N GLY 199.A O no hydrogen 3.086 N/A LEU 204.A N TRP 200.A O no hydrogen 2.746 N/A THR 205.A N HIS 201.A O no hydrogen 2.898 N/A THR 205.A OG1 HIS 201.A O no hydrogen 3.237 N/A ARG 206.A N LYS 202.A O no hydrogen 3.260 N/A ASN 207.A N LEU 204.A O no hydrogen 3.166 N/A GLN 208.A N THR 205.A O no hydrogen 2.623 N/A ILE 209.A N LEU 204.A O no hydrogen 3.008 N/A ILE 212.A N ILE 181.A O no hydrogen 2.855 N/A ARG 215.A N LEU 183.A O no hydrogen 2.684 N/A ARG 215.A NE GLN 227.A OE1 no hydrogen 3.390 N/A ARG 215.A NH1 GLU 234.A OE2 no hydrogen 3.243 N/A GLY 217.A N ALA 185.A O no hydrogen 2.763 N/A ASP 218.A N SER 223.A OG no hydrogen 3.308 N/A SER 220.A N ASP 218.A OD2 no hydrogen 2.954 N/A SER 220.A OG ASP 218.A OD2 no hydrogen 2.606 N/A SER 220.A OG SER 223.A OG no hydrogen 3.151 N/A SER 223.A N SER 220.A OG no hydrogen 3.038 N/A SER 223.A OG ASP 218.A OD2 no hydrogen 2.903 N/A SER 223.A OG SER 220.A O no hydrogen 2.464 N/A SER 223.A OG SER 220.A OG no hydrogen 3.151 N/A GLY 224.A N SER 220.A O no hydrogen 3.210 N/A PHE 225.A N ALA 221.A O no hydrogen 3.003 N/A GLN 226.A N MET 222.A O no hydrogen 2.840 N/A GLN 227.A N SER 223.A O no hydrogen 2.841 N/A THR 228.A N GLY 224.A O no hydrogen 3.322 N/A THR 228.A OG1 GLY 224.A O no hydrogen 2.968 N/A MET 229.A N PHE 225.A O no hydrogen 2.818 N/A GLN 230.A N GLN 226.A O no hydrogen 2.897 N/A MET 231.A N GLN 227.A O no hydrogen 3.030 N/A LEU 232.A N THR 228.A O no hydrogen 3.174 N/A ASN 233.A N MET 229.A O no hydrogen 2.777 N/A GLU 234.A N GLN 230.A O no hydrogen 3.053 N/A GLU 234.A N MET 231.A O no hydrogen 3.338 N/A GLY 235.A N LEU 232.A O no hydrogen 3.353 N/A THR 239.A N GLN 180.A O no hydrogen 2.964 N/A THR 239.A OG1 HIS 178.A ND1 no hydrogen 2.794 N/A MET 241.A N SER 268.A O no hydrogen 2.988 N/A LEU 242.A N ALA 182.A O no hydrogen 3.190 N/A VAL 243.A N VAL 270.A O no hydrogen 2.875 N/A ALA 244.A N LEU 184.A O no hydrogen 2.797 N/A ASN 245.A ND2 TRP 219.A O no hydrogen 2.957 N/A ASP 246.A N TYR 272.A O no hydrogen 2.853 N/A MET 248.A N ASN 245.A OD1 no hydrogen 3.010 N/A ALA 249.A N ASN 245.A O no hydrogen 3.136 N/A LEU 250.A N ASP 246.A O no hydrogen 2.927 N/A GLY 251.A N GLN 247.A O no hydrogen 3.249 N/A ALA 252.A N MET 248.A O no hydrogen 2.822 N/A MET 253.A N ALA 249.A O no hydrogen 2.679 N/A ARG 254.A N LEU 250.A O no hydrogen 2.824 N/A ARG 254.A NH1 GLU 258.A OE1 no hydrogen 2.621 N/A ARG 254.A NH1 GLU 258.A OE2 no hydrogen 2.735 N/A ALA 255.A N GLY 251.A O no hydrogen 3.090 N/A ILE 256.A N ALA 252.A O no hydrogen 2.896 N/A THR 257.A N MET 253.A O no hydrogen 2.954 N/A THR 257.A OG1 MET 253.A O no hydrogen 3.102 N/A GLU 258.A N ARG 254.A O no hydrogen 2.825 N/A SER 259.A N ILE 256.A O no hydrogen 3.193 N/A SER 259.A OG ALA 255.A O no hydrogen 2.513 N/A GLY 260.A N THR 257.A O no hydrogen 2.979 N/A LEU 261.A N ILE 256.A O no hydrogen 3.230 N/A ARG 262.A N ASP 266.A OD2 no hydrogen 2.812 N/A GLY 264.A N ILE 267.A O no hydrogen 3.179 N/A ASP 266.A N ARG 262.A O no hydrogen 2.682 N/A SER 268.A N THR 239.A O no hydrogen 2.864 N/A SER 268.A OG GLY 264.A O no hydrogen 3.215 N/A SER 268.A OG THR 327.A O no hydrogen 3.393 N/A VAL 269.A N THR 327.A O no hydrogen 2.704 N/A VAL 270.A N MET 241.A O no hydrogen 3.135 N/A GLY 271.A N THR 286.A O no hydrogen 2.865 N/A ASP 273.A N ILE 288.A O no hydrogen 2.628 N/A THR 275.A N ASP 246.A OD1 no hydrogen 2.763 N/A SER 278.A N THR 275.A OG1 no hydrogen 3.289 N/A SER 278.A OG ASP 274.A OD1 no hydrogen 3.442 N/A SER 278.A OG THR 275.A O no hydrogen 2.523 N/A SER 279.A N GLU 276.A O no hydrogen 3.489 N/A SER 279.A OG GLU 276.A O no hydrogen 3.333 N/A CYS 280.A N ASP 277.A O no hydrogen 2.820 N/A CYS 280.A SG SER 279.A OG no hydrogen 3.736 N/A TYR 281.A N SER 278.A O no hydrogen 3.390 N/A LEU 285.A N SER 278.A O no hydrogen 3.247 N/A THR 286.A N THR 327.A OG1 no hydrogen 2.682 N/A THR 286.A OG1 THR 327.A OG1 no hydrogen 3.358 N/A THR 286.A OG1 THR 328.A OG1 no hydrogen 3.151 N/A THR 287.A N VAL 323.A O no hydrogen 3.159 N/A THR 287.A OG1 ASP 246.A OD2 no hydrogen 2.653 N/A ILE 288.A N GLY 271.A O no hydrogen 3.163 N/A LYS 289.A N SER 321.A O no hydrogen 2.759 N/A GLN 290.A N ASP 273.A O no hydrogen 3.279 N/A GLN 290.A NE2 ASP 273.A OD1 no hydrogen 2.665 N/A ARG 293.A NH1 SER 84.A OG no hydrogen 3.227 N/A LEU 294.A N ASP 291.A OD2 no hydrogen 3.117 N/A LEU 295.A N ASP 291.A O no hydrogen 3.162 N/A GLY 296.A N PHE 292.A O no hydrogen 2.957 N/A GLN 297.A N ARG 293.A O no hydrogen 2.779 N/A THR 298.A N LEU 294.A O no hydrogen 2.677 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.859 N/A SER 299.A N LEU 295.A O no hydrogen 2.715 N/A SER 299.A OG LEU 295.A O no hydrogen 3.026 N/A VAL 300.A N GLY 296.A O no hydrogen 3.349 N/A ASP 301.A N GLN 297.A O no hydrogen 3.178 N/A ARG 302.A N THR 298.A O no hydrogen 2.888 N/A ARG 302.A NE GLN 316.A OE1 no hydrogen 3.280 N/A ARG 302.A NH1 GLY 314.A O no hydrogen 3.329 N/A ARG 302.A NH2 SER 157.A O no hydrogen 3.460 N/A ARG 302.A NH2 GLN 316.A OE1 no hydrogen 2.985 N/A LEU 303.A N SER 299.A O no hydrogen 2.981 N/A LEU 304.A N VAL 300.A O no hydrogen 3.025 N/A GLN 305.A N ASP 301.A O no hydrogen 3.102 N/A LEU 306.A N ARG 302.A O no hydrogen 2.935 N/A SER 307.A N LEU 303.A O no hydrogen 3.096 N/A GLN 308.A N LEU 304.A O no hydrogen 3.062 N/A GLN 308.A N GLN 305.A O no hydrogen 3.000 N/A GLY 309.A N LEU 306.A O no hydrogen 2.883 N/A GLN 310.A N GLN 305.A O no hydrogen 3.024 N/A VAL 312.A N GLN 310.A O no hydrogen 2.956 N/A GLY 314.A N ASN 156.A OD1 no hydrogen 2.746 N/A ASN 315.A ND2 SER 157.A OG no hydrogen 2.949 N/A GLN 316.A N SER 157.A O no hydrogen 2.558 N/A LEU 318.A N ILE 159.A O no hydrogen 2.953 N/A VAL 323.A N THR 287.A O no hydrogen 2.930 N/A ARG 325.A N THR 286.A OG1 no hydrogen 3.014 N/A ARG 325.A NE LEU 285.A O no hydrogen 2.742 N/A ARG 325.A NH2 ASP 274.A OD1 no hydrogen 2.574 N/A LYS 326.A N PRO 284.A O no hydrogen 2.875 N/A THR 327.A OG1 VAL 269.A O no hydrogen 2.811 N/A THR 328.A OG1 HIS 172.A NE2 no hydrogen 2.835 N/A THR 328.A OG1 THR 286.A OG1 no hydrogen 3.151 N/A LEU 329.A N SER 268.A OG no hydrogen 2.819 N/A