Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gi3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.999 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.900 N/A LEU 9.A N THR 12.A O no hydrogen 2.571 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.007 N/A TRP 14.A N GLN 7.A O no hydrogen 2.644 N/A GLU 15.A N TYR 93.A OH no hydrogen 3.196 N/A VAL 16.A N TYR 5.A O no hydrogen 3.322 N/A GLU 18.A N THR 3.A O no hydrogen 2.941 N/A ARG 19.A NE ASP 33.A OD1 no hydrogen 3.092 N/A ARG 19.A NE ASP 33.A OD2 no hydrogen 2.689 N/A ARG 19.A NH2 ASP 33.A OD1 no hydrogen 2.619 N/A TYR 20.A N PRO 17.A O no hydrogen 3.034 N/A TYR 20.A OH ASP 78.A OD1 no hydrogen 2.566 N/A GLN 21.A N PHE 32.A O no hydrogen 2.869 N/A SER 24.A N ALA 30.A O no hydrogen 2.719 N/A VAL 26.A N VAL 28.A O no hydrogen 3.193 N/A CYS 29.A N VAL 42.A O no hydrogen 2.667 N/A ALA 30.A N SER 24.A O no hydrogen 2.634 N/A ALA 31.A N VAL 40.A O no hydrogen 2.842 N/A PHE 32.A N GLN 21.A O no hydrogen 2.794 N/A ASP 33.A N HIS 38.A O no hydrogen 2.989 N/A THR 34.A N ARG 19.A O no hydrogen 3.001 N/A THR 34.A OG1 ARG 19.A O no hydrogen 2.981 N/A LYS 35.A N ASP 33.A OD2 no hydrogen 2.902 N/A THR 36.A N ASP 33.A O no hydrogen 3.136 N/A GLY 37.A N ASP 33.A O no hydrogen 2.753 N/A HIS 38.A N THR 36.A OG1 no hydrogen 3.084 N/A VAL 40.A N ALA 31.A O no hydrogen 2.904 N/A ALA 41.A N THR 96.A O no hydrogen 2.695 N/A VAL 42.A N CYS 29.A O no hydrogen 2.594 N/A LYS 43.A N LEU 94.A O no hydrogen 2.850 N/A LYS 43.A NZ GLU 61.A OE1 no hydrogen 3.430 N/A LYS 44.A N SER 27.A O no hydrogen 3.016 N/A LYS 44.A NZ ILE 13.A O no hydrogen 2.628 N/A LEU 45.A N VAL 92.A O no hydrogen 3.119 N/A GLN 50.A N ARG 47.A O no hydrogen 3.121 N/A HIS 54.A N SER 51.A OG no hydrogen 3.092 N/A HIS 54.A ND1 ARG 47.A O no hydrogen 2.789 N/A ALA 55.A N SER 51.A O no hydrogen 2.860 N/A LYS 56.A N ILE 52.A O no hydrogen 2.984 N/A LYS 56.A NZ GLU 306.A O no hydrogen 2.602 N/A LYS 56.A NZ ARG 308.A O no hydrogen 3.101 N/A ARG 57.A N ILE 53.A O no hydrogen 3.165 N/A THR 58.A N HIS 54.A O no hydrogen 2.727 N/A THR 58.A OG1 PRO 48.A O no hydrogen 3.116 N/A THR 58.A OG1 HIS 54.A O no hydrogen 3.270 N/A TYR 59.A N ALA 55.A O no hydrogen 2.991 N/A ARG 60.A N LYS 56.A O no hydrogen 2.697 N/A ARG 60.A NE GLU 306.A OE1 no hydrogen 3.385 N/A ARG 60.A NE GLU 306.A OE2 no hydrogen 2.980 N/A ARG 60.A NH2 GLU 306.A OE1 no hydrogen 2.911 N/A GLU 61.A N ARG 57.A O no hydrogen 2.952 N/A LEU 62.A N THR 58.A O no hydrogen 3.056 N/A ARG 63.A N TYR 59.A O no hydrogen 2.928 N/A ARG 63.A NH2 ASP 302.A OD2 no hydrogen 3.478 N/A LEU 64.A N ARG 60.A O no hydrogen 3.005 N/A LEU 65.A N GLU 61.A O no hydrogen 2.796 N/A LYS 66.A N LEU 62.A O no hydrogen 2.750 N/A LYS 66.A NZ GLU 322.A O no hydrogen 2.921 N/A LYS 66.A NZ GLU 322.A OE1 no hydrogen 2.652 N/A HIS 67.A N ARG 63.A O no hydrogen 3.073 N/A HIS 67.A N LEU 64.A O no hydrogen 3.093 N/A HIS 67.A NE2 ASP 299.A O no hydrogen 2.880 N/A MET 68.A N LEU 64.A O no hydrogen 3.052 N/A LYS 69.A N TYR 130.A OH no hydrogen 3.140 N/A ASN 72.A ND2 LEU 154.A O no hydrogen 3.042 N/A VAL 73.A N HIS 70.A O no hydrogen 3.085 N/A ILE 74.A N ILE 156.A O no hydrogen 2.976 N/A LEU 77.A N VAL 95.A O no hydrogen 2.639 N/A ASP 78.A N VAL 95.A O no hydrogen 3.342 N/A VAL 79.A N ASP 78.A OD2 no hydrogen 2.743 N/A PHE 80.A N TYR 93.A O no hydrogen 2.920 N/A THR 81.A OG1 ASP 91.A O no hydrogen 2.771 N/A ALA 83.A N THR 81.A OG1 no hydrogen 3.297 N/A ARG 84.A N GLU 88.A OE1 no hydrogen 2.929 N/A PHE 89.A N LEU 86.A O no hydrogen 3.310 N/A TYR 93.A N PHE 80.A O no hydrogen 2.920 N/A LEU 94.A N LYS 43.A O no hydrogen 2.923 N/A VAL 95.A N ASP 78.A O no hydrogen 2.685 N/A THR 96.A N ALA 41.A O no hydrogen 3.045 N/A THR 96.A OG1 HIS 97.A O no hydrogen 3.555 N/A LEU 98.A N ARG 39.A O no hydrogen 2.983 N/A ALA 101.A N VAL 148.A O no hydrogen 3.335 N/A LEU 103.A N PRO 143.A O no hydrogen 3.264 N/A ASN 105.A ND2 ASP 102.A OD2 no hydrogen 2.763 N/A VAL 107.A N ASN 104.A O no hydrogen 3.501 N/A CYS 109.A SG ILE 106.A O no hydrogen 3.292 N/A CYS 109.A SG GLN 110.A O no hydrogen 4.029 N/A VAL 117.A N THR 113.A O no hydrogen 2.996 N/A GLN 118.A N ASP 114.A O no hydrogen 2.922 N/A GLN 118.A NE2 GLN 288.A OE1 no hydrogen 2.979 N/A PHE 119.A N ASP 115.A O no hydrogen 3.181 N/A LEU 120.A N HIS 116.A O no hydrogen 3.112 N/A ILE 121.A N VAL 117.A O no hydrogen 2.916 N/A TYR 122.A N GLN 118.A O no hydrogen 2.883 N/A TYR 122.A OH GLU 295.A OE1 no hydrogen 2.724 N/A GLN 123.A N PHE 119.A O no hydrogen 3.086 N/A GLN 123.A NE2 PHE 119.A O no hydrogen 3.119 N/A GLN 123.A NE2 CYS 152.A O no hydrogen 2.839 N/A ILE 124.A N LEU 120.A O no hydrogen 3.098 N/A LEU 125.A N ILE 121.A O no hydrogen 3.006 N/A ARG 126.A N TYR 122.A O no hydrogen 2.886 N/A ARG 126.A NE ASP 294.A O no hydrogen 2.780 N/A ARG 126.A NH1 ASN 72.A OD1 no hydrogen 2.757 N/A ARG 126.A NH2 ASP 294.A O no hydrogen 2.749 N/A GLY 127.A N GLN 123.A O no hydrogen 2.943 N/A LEU 128.A N ILE 124.A O no hydrogen 2.752 N/A LYS 129.A N LEU 125.A O no hydrogen 2.843 N/A LYS 129.A NZ GLU 295.A O no hydrogen 2.884 N/A TYR 130.A N ARG 126.A O no hydrogen 3.417 N/A TYR 130.A OH HIS 67.A O no hydrogen 3.358 N/A ILE 131.A N GLY 127.A O no hydrogen 2.985 N/A HIS 132.A N LEU 128.A O no hydrogen 2.786 N/A HIS 132.A NE2 ASP 183.A OD1 no hydrogen 2.803 N/A SER 133.A N LYS 129.A O no hydrogen 2.987 N/A SER 133.A N TYR 130.A O no hydrogen 3.017 N/A SER 133.A OG LYS 129.A O no hydrogen 3.486 N/A SER 133.A OG TYR 130.A O no hydrogen 2.635 N/A ALA 134.A N ILE 131.A O no hydrogen 3.128 N/A ASP 135.A N HIS 132.A O no hydrogen 2.990 N/A ILE 136.A N ILE 131.A O no hydrogen 3.304 N/A HIS 138.A N ASP 183.A OD1 no hydrogen 2.815 N/A ARG 139.A N ASP 183.A OD2 no hydrogen 2.900 N/A LYS 142.A NZ ASP 140.A OD2 no hydrogen 3.148 N/A LYS 142.A NZ VAL 161.A O no hydrogen 3.435 N/A ASN 145.A N LYS 142.A O no hydrogen 2.897 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.828 N/A LEU 146.A N PRO 143.A O no hydrogen 3.083 N/A ALA 147.A N LYS 155.A O no hydrogen 2.924 N/A VAL 148.A N ALA 101.A O no hydrogen 2.901 N/A ASN 149.A N GLU 153.A O no hydrogen 3.019 N/A ASN 149.A ND2 GLU 153.A OE1 no hydrogen 3.200 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 2.668 N/A CYS 152.A N ASN 149.A O no hydrogen 2.804 N/A GLU 153.A N ASN 149.A OD1 no hydrogen 2.960 N/A LEU 154.A N GLN 123.A OE1 no hydrogen 2.556 N/A LYS 155.A N ALA 147.A O no hydrogen 2.754 N/A LYS 155.A NZ GLU 71.A O no hydrogen 3.315 N/A ILE 156.A N ASN 72.A O no hydrogen 3.031 N/A LEU 157.A N ASN 145.A O no hydrogen 3.098 N/A PHE 159.A N ASN 145.A OD1 no hydrogen 3.029 N/A TYR 160.A N ASP 158.A O no hydrogen 2.743 N/A TRP 165.A NE1 GLY 203.A O no hydrogen 2.807 N/A TYR 166.A N THR 163.A O no hydrogen 3.005 N/A TYR 166.A OH GLU 193.A OE2 no hydrogen 2.618 N/A ARG 167.A N ARG 164.A O no hydrogen 2.945 N/A ARG 167.A NH1 ARG 139.A O no hydrogen 3.218 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.689 N/A ILE 171.A N ALA 168.A O no hydrogen 3.054 N/A MET 172.A N ALA 168.A O no hydrogen 3.453 N/A LEU 173.A N PRO 169.A O no hydrogen 2.967 N/A ASN 174.A N ILE 171.A O no hydrogen 3.230 N/A TRP 175.A N GLU 170.A O no hydrogen 2.996 N/A MET 176.A N TYR 178.A OH no hydrogen 3.191 N/A GLN 180.A NE2 HIS 132.A O no hydrogen 3.033 N/A THR 181.A OG1 ASN 179.A OD1 no hydrogen 2.411 N/A THR 181.A OG1 SER 271.A O no hydrogen 3.059 N/A VAL 182.A N ASN 179.A O no hydrogen 3.201 N/A ASP 183.A N GLN 180.A O no hydrogen 2.915 N/A TRP 185.A N THR 181.A O no hydrogen 2.966 N/A SER 186.A N VAL 182.A O no hydrogen 3.478 N/A SER 186.A OG TYR 166.A O no hydrogen 2.746 N/A SER 186.A OG VAL 182.A O no hydrogen 3.317 N/A VAL 187.A N ASP 183.A O no hydrogen 2.946 N/A GLY 188.A N ILE 184.A O no hydrogen 3.013 N/A CYS 189.A N TRP 185.A O no hydrogen 3.032 N/A CYS 189.A SG TRP 165.A O no hydrogen 3.752 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.655 N/A ILE 190.A N SER 186.A O no hydrogen 2.880 N/A MET 191.A N VAL 187.A O no hydrogen 2.824 N/A ALA 192.A N GLY 188.A O no hydrogen 2.961 N/A GLU 193.A N CYS 189.A O no hydrogen 3.129 N/A LEU 194.A N ILE 190.A O no hydrogen 2.979 N/A LEU 195.A N MET 191.A O no hydrogen 3.056 N/A LEU 195.A N ALA 192.A O no hydrogen 3.226 N/A THR 196.A N ALA 192.A O no hydrogen 2.887 N/A THR 196.A OG1 ALA 192.A O no hydrogen 3.016 N/A GLY 197.A N GLU 193.A O no hydrogen 2.884 N/A ARG 198.A N THR 196.A OG1 no hydrogen 3.189 N/A ARG 198.A NE THR 199.A O no hydrogen 3.390 N/A GLY 203.A N PHE 201.A O no hydrogen 3.034 N/A GLY 203.A N GLN 209.A OE1 no hydrogen 3.438 N/A THR 204.A N ASP 208.A OD2 no hydrogen 2.894 N/A ASP 208.A N ASP 205.A OD2 no hydrogen 2.715 N/A GLN 209.A N ASP 205.A O no hydrogen 2.987 N/A LEU 210.A N HIS 206.A O no hydrogen 2.697 N/A LYS 211.A N ILE 207.A O no hydrogen 2.923 N/A LEU 212.A N ASP 208.A O no hydrogen 2.981 N/A ILE 213.A N GLN 209.A O no hydrogen 2.930 N/A LEU 214.A N LEU 210.A O no hydrogen 2.865 N/A ARG 215.A N LYS 211.A O no hydrogen 3.124 N/A LEU 216.A N ILE 213.A O no hydrogen 2.913 N/A VAL 217.A N ILE 213.A O no hydrogen 2.945 N/A LEU 225.A N GLY 221.A O no hydrogen 2.839 N/A LYS 226.A N ALA 222.A O no hydrogen 3.187 N/A LYS 227.A N LEU 224.A O no hydrogen 2.992 N/A LYS 227.A NZ ASP 270.A OD1 no hydrogen 3.189 N/A LYS 227.A NZ ASP 270.A OD2 no hydrogen 2.782 N/A LYS 227.A NZ ASP 272.A OD1 no hydrogen 3.273 N/A SER 232.A OG SER 230.A OG no hydrogen 3.165 N/A ALA 233.A N SER 230.A OG no hydrogen 3.261 N/A ARG 234.A N SER 230.A O no hydrogen 3.050 N/A ARG 234.A NE LEU 225.A O no hydrogen 2.964 N/A ASN 235.A N GLU 231.A O no hydrogen 2.929 N/A TYR 236.A N SER 232.A O no hydrogen 2.917 N/A ILE 237.A N ALA 233.A O no hydrogen 3.125 N/A SER 239.A N ASN 235.A O no hydrogen 2.949 N/A SER 239.A OG ASN 235.A O no hydrogen 3.100 N/A LEU 240.A N TYR 236.A O no hydrogen 3.067 N/A THR 241.A N GLN 238.A O no hydrogen 3.017 N/A GLN 242.A NE2 GLN 238.A O no hydrogen 2.710 N/A MET 246.A N ARG 215.A O no hydrogen 2.704 N/A VAL 251.A N ASN 247.A O no hydrogen 3.508 N/A PHE 252.A N PHE 248.A O no hydrogen 3.111 N/A PHE 252.A N ALA 249.A O no hydrogen 3.222 N/A ILE 253.A N ASN 250.A O no hydrogen 3.364 N/A ALA 255.A N PHE 252.A O no hydrogen 3.227 N/A ASN 256.A ND2 ASP 114.A OD2 no hydrogen 2.978 N/A LEU 258.A N ASN 256.A OD1 no hydrogen 2.777 N/A VAL 260.A N ASN 256.A O no hydrogen 3.080 N/A ASP 261.A N PRO 257.A O no hydrogen 3.055 N/A LEU 262.A N LEU 258.A O no hydrogen 3.083 N/A LEU 263.A N ALA 259.A O no hydrogen 3.066 N/A GLU 264.A N VAL 260.A O no hydrogen 3.056 N/A LYS 265.A N LEU 262.A O no hydrogen 2.947 N/A LYS 265.A NZ ASP 261.A OD2 no hydrogen 3.097 N/A MET 266.A N LEU 262.A O no hydrogen 2.983 N/A MET 266.A N LEU 263.A O no hydrogen 3.271 N/A LEU 267.A N LEU 263.A O no hydrogen 2.851 N/A VAL 268.A N MET 266.A O no hydrogen 2.971 N/A ASP 272.A N ASP 270.A OD1 no hydrogen 2.941 N/A LYS 273.A N ASP 270.A O no hydrogen 2.884 N/A ARG 274.A N SER 271.A O no hydrogen 3.349 N/A ARG 274.A NE VAL 268.A O no hydrogen 2.763 N/A ARG 274.A NH1 GLU 170.A OE2 no hydrogen 2.839 N/A ARG 274.A NH1 THR 181.A O no hydrogen 3.136 N/A ARG 274.A NH2 GLU 170.A OE1 no hydrogen 2.775 N/A ARG 274.A NH2 GLU 170.A OE2 no hydrogen 3.212 N/A ARG 274.A NH2 VAL 268.A O no hydrogen 3.384 N/A ARG 274.A NH2 LEU 269.A O no hydrogen 3.231 N/A ILE 275.A N LYS 265.A O no hydrogen 3.144 N/A THR 276.A N GLN 279.A OE1 no hydrogen 3.188 N/A GLN 279.A N THR 276.A OG1 no hydrogen 3.055 N/A ALA 280.A N THR 276.A O no hydrogen 2.740 N/A LEU 281.A N ALA 277.A O no hydrogen 2.852 N/A ALA 282.A N GLN 279.A O no hydrogen 2.874 N/A HIS 283.A N ALA 280.A O no hydrogen 2.807 N/A TYR 285.A OH ASP 114.A OD1 no hydrogen 2.542 N/A PHE 286.A N HIS 283.A O no hydrogen 2.854 N/A ALA 287.A N ALA 284.A O no hydrogen 3.012 N/A TYR 289.A N PHE 286.A O no hydrogen 2.836 N/A TYR 289.A OH ASP 115.A OD1 no hydrogen 2.720 N/A HIS 290.A N PHE 286.A O no hydrogen 2.859 N/A HIS 290.A ND1 GLU 295.A OE1 no hydrogen 2.647 N/A ASP 291.A N GLU 295.A OE1 no hydrogen 3.066 N/A ASP 293.A N ASP 291.A OD1 no hydrogen 2.949 N/A ASP 294.A N ASP 291.A O no hydrogen 3.084 N/A ALA 298.A N SER 133.A OG no hydrogen 2.864 N/A SER 304.A N ASP 302.A OD1 no hydrogen 3.110 N/A SER 304.A OG ASP 302.A OD1 no hydrogen 2.740 N/A GLU 306.A N GLN 303.A O no hydrogen 3.096 N/A SER 307.A OG SER 304.A O no hydrogen 3.192 N/A LEU 311.A N GLU 314.A OE1 no hydrogen 3.214 N/A GLU 314.A N LEU 311.A O no hydrogen 2.845 N/A TRP 315.A N LEU 311.A O no hydrogen 3.136 N/A LYS 316.A N ILE 312.A O no hydrogen 2.782 N/A SER 317.A N ASP 313.A O no hydrogen 3.055 N/A LEU 318.A N GLU 314.A O no hydrogen 3.029 N/A THR 319.A N TRP 315.A O no hydrogen 2.934 N/A THR 319.A OG1 TRP 315.A O no hydrogen 2.839 N/A TYR 320.A N LYS 316.A O no hydrogen 2.893 N/A ASP 321.A N SER 317.A O no hydrogen 2.881 N/A GLU 322.A N LEU 318.A O no hydrogen 3.189 N/A VAL 323.A N THR 319.A O no hydrogen 3.068 N/A ILE 324.A N TYR 320.A O no hydrogen 3.146 N/A SER 325.A N ASP 321.A O no hydrogen 2.954 N/A SER 325.A OG ASP 321.A O no hydrogen 3.213 N/A SER 325.A OG GLU 322.A O no hydrogen 3.353 N/A PHE 326.A N VAL 323.A O no hydrogen 3.338 N/A