Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gcd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 1.A O no hydrogen 2.752 N/A GLU 6.A N PRO 2.A O no hydrogen 2.940 N/A LEU 7.A N ASP 3.A O no hydrogen 2.647 N/A PHE 8.A N VAL 4.A O no hydrogen 3.256 N/A PHE 9.A N CYS 83.A O no hydrogen 2.876 N/A GLU 14.A N ASP 12.A OD2 no hydrogen 3.142 N/A LYS 15.A N ASP 12.A O no hydrogen 2.826 N/A LEU 16.A N ASP 12.A O no hydrogen 3.372 N/A PHE 17.A N PRO 13.A O no hydrogen 3.022 N/A SER 18.A N ARG 35.A O no hydrogen 2.838 N/A ARG 21.A N PHE 33.A O no hydrogen 3.062 N/A ILE 23.A N VAL 31.A O no hydrogen 2.644 N/A GLY 24.A N VAL 31.A O no hydrogen 3.222 N/A HIS 25.A ND1 GLU 22.A OE1 no hydrogen 2.737 N/A VAL 31.A N GLY 24.A O no hydrogen 2.652 N/A TYR 32.A N ILE 45.A O no hydrogen 2.659 N/A PHE 33.A N ARG 21.A O no hydrogen 2.974 N/A ALA 34.A N VAL 43.A O no hydrogen 2.978 N/A ARG 35.A N SER 18.A O no hydrogen 2.765 N/A ARG 35.A NE ASP 19.A OD2 no hydrogen 2.939 N/A ARG 35.A NH2 GLN 306.A O no hydrogen 3.280 N/A ARG 35.A NH2 ALA 308.A O no hydrogen 3.121 N/A ASP 36.A N GLU 41.A O no hydrogen 2.529 N/A VAL 37.A N LEU 16.A O no hydrogen 2.825 N/A ARG 38.A N ASP 36.A OD1 no hydrogen 2.903 N/A ARG 38.A NE ASP 36.A OD1 no hydrogen 3.067 N/A ARG 38.A NH2 ASP 36.A OD2 no hydrogen 2.669 N/A ASN 39.A N ASP 36.A O no hydrogen 3.390 N/A SER 40.A N ASP 36.A O no hydrogen 2.891 N/A GLU 41.A N ASN 39.A OD1 no hydrogen 2.876 N/A VAL 43.A N ALA 34.A O no hydrogen 2.753 N/A ALA 44.A N MET 94.A O no hydrogen 2.878 N/A ILE 45.A N TYR 32.A O no hydrogen 2.637 N/A LYS 46.A N LEU 92.A O no hydrogen 2.961 N/A LYS 46.A NZ GLU 65.A OE2 no hydrogen 2.665 N/A LYS 47.A N ALA 30.A O no hydrogen 3.122 N/A MET 48.A N ALA 90.A O no hydrogen 3.077 N/A TYR 50.A N HIS 88.A O no hydrogen 2.959 N/A SER 51.A N SER 49.A OG no hydrogen 3.162 N/A TRP 59.A N SER 55.A O no hydrogen 2.833 N/A GLN 60.A N ASN 56.A O no hydrogen 3.168 N/A ASP 61.A N GLU 57.A O no hydrogen 2.984 N/A ILE 62.A N LYS 58.A O no hydrogen 3.118 N/A ILE 63.A N TRP 59.A O no hydrogen 2.895 N/A LYS 64.A N GLN 60.A O no hydrogen 2.961 N/A GLU 65.A N ASP 61.A O no hydrogen 2.837 N/A VAL 66.A N ILE 62.A O no hydrogen 2.853 N/A ARG 67.A N ILE 63.A O no hydrogen 2.831 N/A ARG 67.A NH1 GLU 6.A OE1 no hydrogen 2.851 N/A ARG 67.A NH1 GLU 6.A OE2 no hydrogen 3.135 N/A ARG 67.A NH2 GLU 6.A OE2 no hydrogen 2.696 N/A PHE 68.A N LYS 64.A O no hydrogen 3.086 N/A LEU 69.A N GLU 65.A O no hydrogen 2.722 N/A GLN 70.A N VAL 66.A O no hydrogen 2.787 N/A LYS 71.A N PHE 68.A O no hydrogen 3.159 N/A LEU 72.A N LEU 69.A O no hydrogen 3.146 N/A ARG 73.A N TYR 130.A OH no hydrogen 2.757 N/A HIS 74.A NE2 ASN 76.A OD1 no hydrogen 3.032 N/A ASN 76.A ND2 VAL 154.A O no hydrogen 2.692 N/A THR 77.A N HIS 74.A O no hydrogen 2.989 N/A THR 77.A OG1 HIS 74.A O no hydrogen 2.887 N/A ILE 78.A N LEU 156.A O no hydrogen 2.930 N/A GLN 79.A N GLU 95.A OE1 no hydrogen 2.475 N/A ARG 81.A N VAL 93.A O no hydrogen 2.748 N/A ARG 81.A NH2 GLN 79.A OE1 no hydrogen 3.070 N/A CYS 83.A SG LEU 7.A O no hydrogen 3.333 N/A CYS 83.A SG TYR 80.A OH no hydrogen 3.261 N/A TYR 84.A N TRP 91.A O no hydrogen 2.857 N/A ARG 86.A N THR 89.A O no hydrogen 3.321 N/A ARG 86.A NH1 LYS 10.A O no hydrogen 3.376 N/A ARG 86.A NH1 LEU 85.A O no hydrogen 3.136 N/A THR 89.A N ARG 86.A O no hydrogen 3.029 N/A THR 89.A OG1 GLU 87.A O no hydrogen 3.420 N/A ALA 90.A N MET 48.A O no hydrogen 2.989 N/A TRP 91.A N TYR 84.A O no hydrogen 3.002 N/A LEU 92.A N LYS 46.A O no hydrogen 2.985 N/A VAL 93.A N GLY 82.A O no hydrogen 2.815 N/A MET 94.A N ALA 44.A O no hydrogen 2.726 N/A GLU 95.A N GLN 79.A O no hydrogen 2.949 N/A SER 100.A N ASP 103.A OD2 no hydrogen 2.853 N/A SER 100.A OG ASP 103.A OD2 no hydrogen 2.981 N/A ALA 101.A N ILE 146.A O no hydrogen 2.785 N/A SER 102.A N ALA 143.A O no hydrogen 3.430 N/A ASP 103.A N SER 100.A OG no hydrogen 3.306 N/A LEU 104.A N SER 100.A O no hydrogen 3.104 N/A LEU 105.A N ALA 101.A O no hydrogen 3.317 N/A GLU 106.A N SER 102.A O no hydrogen 2.763 N/A GLU 106.A N ASP 103.A O no hydrogen 3.169 N/A VAL 107.A N ASP 103.A O no hydrogen 3.008 N/A HIS 108.A N LEU 104.A O no hydrogen 3.289 N/A HIS 108.A NE2 THR 285.A OG1 no hydrogen 2.938 N/A LYS 109.A N LEU 105.A O no hydrogen 3.247 N/A LEU 112.A N LEU 206.A O no hydrogen 3.386 N/A GLN 113.A N GLU 116.A OE1 no hydrogen 2.905 N/A ILE 117.A N GLN 113.A O no hydrogen 2.700 N/A ALA 118.A N GLU 114.A O no hydrogen 3.017 N/A ALA 118.A N VAL 115.A O no hydrogen 3.111 N/A ALA 119.A N VAL 115.A O no hydrogen 3.065 N/A VAL 120.A N GLU 116.A O no hydrogen 3.064 N/A THR 121.A N ILE 117.A O no hydrogen 2.921 N/A THR 121.A OG1 ILE 117.A O no hydrogen 2.574 N/A HIS 122.A N ALA 118.A O no hydrogen 2.742 N/A GLY 123.A N ALA 119.A O no hydrogen 3.058 N/A ALA 124.A N VAL 120.A O no hydrogen 3.096 N/A LEU 125.A N THR 121.A O no hydrogen 2.802 N/A GLN 126.A N HIS 122.A O no hydrogen 3.000 N/A GLY 127.A N GLY 123.A O no hydrogen 3.140 N/A LEU 128.A N ALA 124.A O no hydrogen 2.727 N/A ALA 129.A N LEU 125.A O no hydrogen 2.649 N/A TYR 130.A N GLN 126.A O no hydrogen 2.986 N/A LEU 131.A N GLY 127.A O no hydrogen 3.140 N/A HIS 132.A N LEU 128.A O no hydrogen 2.828 N/A HIS 132.A ND1 SER 260.A OG no hydrogen 2.482 N/A HIS 132.A NE2 ASP 195.A OD2 no hydrogen 2.847 N/A SER 133.A N ALA 129.A O no hydrogen 2.641 N/A SER 133.A OG ALA 129.A O no hydrogen 3.499 N/A SER 133.A OG TYR 130.A O no hydrogen 2.605 N/A HIS 134.A N TYR 130.A O no hydrogen 3.264 N/A HIS 134.A N LEU 131.A O no hydrogen 2.773 N/A ASN 135.A N HIS 132.A O no hydrogen 2.797 N/A ASN 135.A ND2 ALA 166.A O no hydrogen 2.822 N/A MET 136.A N LEU 131.A O no hydrogen 2.825 N/A ILE 137.A N SER 163.A O no hydrogen 2.900 N/A HIS 138.A N ASP 195.A OD2 no hydrogen 2.854 N/A HIS 138.A NE2 GLY 157.A O no hydrogen 3.020 N/A ARG 139.A N ASP 195.A OD1 no hydrogen 2.681 N/A ARG 139.A NE SER 161.A O no hydrogen 2.655 N/A ARG 139.A NH2 SER 161.A O no hydrogen 3.120 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 2.903 N/A LYS 142.A NZ THR 173.A OG1 no hydrogen 2.909 N/A ALA 143.A N GLU 205.A OE2 no hydrogen 3.123 N/A ASN 145.A N LYS 142.A O no hydrogen 2.929 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.728 N/A ASN 145.A ND2 ASP 140.A OD2 no hydrogen 3.164 N/A ILE 146.A N ALA 143.A O no hydrogen 3.139 N/A LEU 147.A N LYS 155.A O no hydrogen 2.751 N/A LEU 148.A N GLY 99.A O no hydrogen 2.919 N/A SER 149.A N LEU 153.A O no hydrogen 3.035 N/A LEU 153.A N SER 149.A O no hydrogen 2.609 N/A LYS 155.A N LEU 147.A O no hydrogen 2.759 N/A LYS 155.A NZ PRO 75.A O no hydrogen 2.825 N/A LYS 155.A NZ GLU 95.A OE1 no hydrogen 3.074 N/A LYS 155.A NZ GLU 95.A OE2 no hydrogen 3.496 N/A LEU 156.A N ASN 76.A O no hydrogen 2.801 N/A GLY 157.A N ASN 145.A O no hydrogen 2.907 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 2.679 N/A ALA 162.A N PHE 159.A O no hydrogen 2.941 N/A SER 163.A N ILE 137.A O no hydrogen 2.584 N/A MET 165.A N SER 163.A OG no hydrogen 3.192 N/A ALA 166.A N ASN 135.A O no hydrogen 3.078 N/A ALA 168.A N TYR 190.A O no hydrogen 3.031 N/A THR 173.A OG1 ASP 140.A OD1 no hydrogen 2.658 N/A TYR 175.A OH MET 216.A O no hydrogen 2.604 N/A TRP 176.A N THR 173.A O no hydrogen 2.883 N/A TRP 176.A NE1 GLU 205.A OE2 no hydrogen 2.751 N/A MET 177.A N PRO 174.A O no hydrogen 2.969 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.842 N/A VAL 181.A N ALA 178.A O no hydrogen 2.850 N/A ILE 182.A N ALA 178.A O no hydrogen 3.156 N/A LEU 183.A N PRO 179.A O no hydrogen 2.774 N/A ALA 184.A N GLU 180.A O no hydrogen 3.263 N/A MET 185.A N ILE 182.A O no hydrogen 2.899 N/A TYR 190.A N ALA 168.A O no hydrogen 2.625 N/A LYS 193.A NZ PRO 254.A O no hydrogen 3.015 N/A ASP 195.A N GLY 192.A O no hydrogen 3.060 N/A TRP 197.A N LYS 193.A O no hydrogen 2.887 N/A SER 198.A N VAL 194.A O no hydrogen 3.315 N/A SER 198.A OG TRP 176.A O no hydrogen 2.743 N/A SER 198.A OG VAL 194.A O no hydrogen 3.014 N/A LEU 199.A N ASP 195.A O no hydrogen 2.748 N/A GLY 200.A N VAL 196.A O no hydrogen 3.094 N/A GLY 200.A N TRP 197.A O no hydrogen 2.606 N/A ILE 201.A N TRP 197.A O no hydrogen 3.143 N/A THR 202.A N SER 198.A O no hydrogen 2.731 N/A THR 202.A OG1 SER 198.A O no hydrogen 2.671 N/A CYS 203.A N LEU 199.A O no hydrogen 2.743 N/A CYS 203.A SG THR 121.A OG1 no hydrogen 3.533 N/A CYS 203.A SG LEU 199.A O no hydrogen 3.251 N/A ILE 204.A N GLY 200.A O no hydrogen 3.004 N/A GLU 205.A N ILE 201.A O no hydrogen 2.851 N/A LEU 206.A N THR 202.A O no hydrogen 2.651 N/A ALA 207.A N CYS 203.A O no hydrogen 2.752 N/A GLU 208.A N ILE 204.A O no hydrogen 2.463 N/A ARG 209.A NH2 LEU 105.A O no hydrogen 3.369 N/A PHE 214.A N PRO 211.A O no hydrogen 3.084 N/A MET 216.A N LEU 213.A O no hydrogen 2.987 N/A SER 220.A N ASN 217.A OD1 no hydrogen 2.699 N/A ALA 221.A N ASN 217.A O no hydrogen 2.838 N/A LEU 222.A N ALA 218.A O no hydrogen 2.750 N/A TYR 223.A N MET 219.A O no hydrogen 3.068 N/A HIS 224.A N SER 220.A O no hydrogen 2.893 N/A ILE 225.A N ALA 221.A O no hydrogen 2.822 N/A ALA 226.A N LEU 222.A O no hydrogen 3.204 N/A SER 230.A OG LEU 250.A O no hydrogen 3.199 N/A GLN 234.A N GLU 208.A OE2 no hydrogen 2.963 N/A GLN 234.A NE2 GLU 208.A OE1 no hydrogen 2.963 N/A SER 235.A OG HIS 237.A ND1 no hydrogen 2.609 N/A GLY 236.A N SER 235.A OG no hydrogen 2.765 N/A HIS 237.A N SER 235.A OG no hydrogen 3.164 N/A HIS 237.A ND1 SER 235.A OG no hydrogen 2.609 N/A SER 239.A OG GLU 114.A OE1 no hydrogen 2.354 N/A SER 239.A OG GLU 114.A OE2 no hydrogen 3.438 N/A PHE 242.A N SER 239.A OG no hydrogen 3.270 N/A ARG 243.A N SER 239.A O no hydrogen 3.255 N/A ARG 243.A NH1 SER 235.A O no hydrogen 3.432 N/A ARG 243.A NH2 SER 235.A O no hydrogen 3.356 N/A ARG 243.A NH2 TRP 238.A O no hydrogen 2.997 N/A ASN 244.A N GLU 240.A O no hydrogen 2.814 N/A PHE 245.A N TYR 241.A O no hydrogen 2.941 N/A VAL 246.A N PHE 242.A O no hydrogen 2.996 N/A ASP 247.A N ARG 243.A O no hydrogen 3.046 N/A SER 248.A N ASN 244.A O no hydrogen 2.497 N/A SER 248.A OG ASN 244.A O no hydrogen 2.978 N/A SER 248.A OG ASN 244.A OD1 no hydrogen 3.203 N/A CYS 249.A N PHE 245.A O no hydrogen 2.654 N/A CYS 249.A SG PHE 245.A O no hydrogen 3.467 N/A LEU 250.A N VAL 246.A O no hydrogen 2.809 N/A GLN 251.A N ASP 247.A O no hydrogen 3.155 N/A GLN 251.A N SER 248.A O no hydrogen 3.157 N/A LYS 252.A NZ ALA 226.A O no hydrogen 2.226 N/A ASP 256.A N ILE 253.A O no hydrogen 2.482 N/A ARG 257.A N ILE 253.A O no hydrogen 3.189 N/A ARG 257.A N PRO 254.A O no hydrogen 2.610 N/A ARG 257.A NE GLN 251.A O no hydrogen 3.111 N/A ARG 257.A NH1 GLU 180.A OE1 no hydrogen 2.477 N/A ARG 257.A NH1 GLU 180.A OE2 no hydrogen 3.517 N/A ARG 257.A NH2 GLU 180.A OE2 no hydrogen 2.644 N/A ARG 257.A NH2 GLN 251.A O no hydrogen 3.416 N/A ARG 257.A NH2 LYS 252.A O no hydrogen 3.415 N/A SER 260.A OG HIS 132.A ND1 no hydrogen 2.482 N/A VAL 262.A N THR 259.A OG1 no hydrogen 2.933 N/A LEU 263.A N THR 259.A O no hydrogen 3.117 N/A LEU 264.A N GLU 261.A O no hydrogen 3.252 N/A LYS 265.A N VAL 262.A O no hydrogen 2.914 N/A HIS 266.A N LEU 263.A O no hydrogen 2.954 N/A HIS 266.A NE2 ASN 244.A OD1 no hydrogen 2.764 N/A ARG 267.A NH1 GLU 240.A OE2 no hydrogen 2.433 N/A PHE 268.A N HIS 266.A ND1 no hydrogen 3.186 N/A VAL 269.A N HIS 266.A O no hydrogen 3.207 N/A LEU 270.A N HIS 266.A O no hydrogen 3.149 N/A ARG 271.A N ARG 267.A O no hydrogen 2.806 N/A ARG 271.A NH2 GLU 114.A OE1 no hydrogen 3.068 N/A THR 276.A OG1 ASP 280.A OD2 no hydrogen 2.858 N/A ASP 280.A N THR 276.A O no hydrogen 2.497 N/A LEU 281.A N VAL 277.A O no hydrogen 2.698 N/A ILE 282.A N ILE 278.A O no hydrogen 2.788 N/A GLN 283.A N MET 279.A O no hydrogen 3.091 N/A GLN 283.A NE2 ASP 287.A OD1 no hydrogen 3.276 N/A ARG 284.A N ASP 280.A O no hydrogen 2.881 N/A ARG 284.A NE GLU 116.A OE2 no hydrogen 3.040 N/A ARG 284.A NH2 GLU 116.A OE1 no hydrogen 2.743 N/A ARG 284.A NH2 GLU 116.A OE2 no hydrogen 3.160 N/A THR 285.A N LEU 281.A O no hydrogen 2.861 N/A THR 285.A OG1 HIS 108.A NE2 no hydrogen 2.938 N/A THR 285.A OG1 LEU 281.A O no hydrogen 2.624 N/A LYS 286.A N ILE 282.A O no hydrogen 3.013 N/A LYS 286.A NZ GLU 150.A OE1 no hydrogen 3.382 N/A ASP 287.A N GLN 283.A O no hydrogen 3.051 N/A ALA 288.A N ARG 284.A O no hydrogen 2.943 N/A VAL 289.A N THR 285.A O no hydrogen 3.367 N/A ARG 290.A N LYS 286.A O no hydrogen 2.796 N/A GLU 291.A N ASP 287.A O no hydrogen 2.776 N/A LEU 292.A N VAL 289.A O no hydrogen 3.257 N/A TYR 297.A N ASN 294.A O no hydrogen 2.768 N/A LYS 301.A N ARG 298.A O no hydrogen 3.327 N/A LYS 301.A NZ GLN 296.A O no hydrogen 3.208 N/A ILE 303.A N MET 300.A O no hydrogen 3.157 N/A LEU 304.A N LYS 301.A O no hydrogen 2.843 N/A PHE 305.A N LYS 302.A O no hydrogen 3.180 N/A GLN 306.A NE2 GLU 150.A OE2 no hydrogen 3.322 N/A GLU 307.A N LEU 304.A O no hydrogen 3.060 N/A ALA 308.A N PHE 305.A O no hydrogen 2.851 N/A