Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASN 307.A O no hydrogen 2.704 N/A SER 6.A N ARG 341.A O no hydrogen 3.148 N/A SER 7.A OG THR 340.A OG1 no hydrogen 2.919 N/A ASN 8.A N LEU 339.A O no hydrogen 2.899 N/A GLN 9.A NE2 SER 336.A OG no hydrogen 2.493 N/A TYR 10.A N VAL 337.A O no hydrogen 2.827 N/A TYR 10.A OH THR 59.A OG1 no hydrogen 2.823 N/A LEU 12.A N GLY 335.A O no hydrogen 3.174 N/A VAL 16.A N PRO 13.A O no hydrogen 2.823 N/A ARG 17.A N ASP 39.A OD1 no hydrogen 2.986 N/A TYR 19.A N GLY 37.A O no hydrogen 2.672 N/A THR 20.A N GLY 37.A O no hydrogen 3.261 N/A THR 20.A OG1 ASP 319.A OD2 no hydrogen 3.250 N/A THR 21.A N ASP 319.A OD2 no hydrogen 3.017 N/A THR 22.A N ALA 35.A O no hydrogen 3.064 N/A THR 22.A OG1 TRP 23.A O no hydrogen 3.345 N/A CYS 24.A N LEU 33.A O no hydrogen 2.988 N/A GLN 26.A N GLN 26.A OE1 no hydrogen 2.772 N/A SER 27.A OG CYS 81.A O no hydrogen 2.683 N/A CYS 30.A N SER 27.A O no hydrogen 2.851 N/A SER 31.A N PRO 28.A O no hydrogen 3.523 N/A SER 31.A OG PRO 28.A O no hydrogen 3.170 N/A LEU 33.A N CYS 30.A O no hydrogen 2.944 N/A LEU 34.A N TYR 45.A O no hydrogen 2.784 N/A ALA 35.A N THR 22.A O no hydrogen 2.819 N/A ILE 36.A N THR 43.A O no hydrogen 2.907 N/A GLY 37.A N THR 20.A O no hydrogen 2.957 N/A HIS 38.A N GLY 41.A O no hydrogen 2.808 N/A HIS 38.A NE2 THR 43.A OG1 no hydrogen 2.735 N/A THR 40.A N HIS 38.A ND1 no hydrogen 3.288 N/A ILE 42.A N ILE 66.A O no hydrogen 2.963 N/A THR 43.A N ILE 36.A O no hydrogen 2.935 N/A THR 43.A OG1 HIS 38.A NE2 no hydrogen 2.735 N/A THR 43.A OG1 THR 65.A OG1 no hydrogen 2.787 N/A ILE 44.A N PHE 64.A O no hydrogen 2.978 N/A TYR 45.A N LEU 34.A O no hydrogen 2.747 N/A CYS 46.A N GLN 61.A O no hydrogen 2.785 N/A CYS 46.A SG ALA 47.A O no hydrogen 3.852 N/A ALA 47.A N ASN 32.A O no hydrogen 2.833 N/A SER 48.A N THR 59.A O no hydrogen 2.955 N/A THR 59.A N SER 48.A O no hydrogen 2.749 N/A THR 59.A OG1 TYR 10.A OH no hydrogen 2.823 N/A THR 59.A OG1 GLU 50.A OE1 no hydrogen 3.538 N/A LEU 60.A N TYR 10.A OH no hydrogen 2.899 N/A GLN 61.A N CYS 46.A O no hydrogen 2.791 N/A GLN 61.A NE2 GLU 62.A O no hydrogen 3.117 N/A LEU 63.A N ILE 44.A O no hydrogen 2.867 N/A THR 65.A OG1 THR 43.A OG1 no hydrogen 2.787 N/A ILE 66.A N ILE 42.A O no hydrogen 2.724 N/A THR 68.A N THR 40.A O no hydrogen 3.025 N/A THR 68.A OG1 LEU 70.A O no hydrogen 3.041 N/A GLY 69.A N THR 40.A O no hydrogen 3.159 N/A THR 72.A N HIS 38.A O no hydrogen 2.987 N/A LEU 73.A N VAL 97.A O no hydrogen 2.827 N/A SER 76.A N ALA 95.A O no hydrogen 2.739 N/A SER 76.A OG PHE 77.A O no hydrogen 3.497 N/A SER 76.A OG ASP 133.A OD1 no hydrogen 3.186 N/A SER 78.A N PHE 93.A O no hydrogen 3.056 N/A SER 79.A OG ASP 136.A OD2 no hydrogen 2.605 N/A SER 80.A N SER 78.A OG no hydrogen 2.962 N/A SER 80.A OG ASP 136.A OD2 no hydrogen 2.708 N/A CYS 81.A SG SER 78.A O no hydrogen 3.434 N/A CYS 81.A SG PHE 93.A O no hydrogen 3.429 N/A SER 82.A N SER 91.A O no hydrogen 2.982 N/A TYR 83.A OH GLU 85.A OE2 no hydrogen 3.156 N/A SER 84.A N VAL 89.A O no hydrogen 3.060 N/A VAL 89.A N SER 84.A O no hydrogen 2.882 N/A TYR 90.A N ASN 110.A OD1 no hydrogen 2.811 N/A SER 91.A N SER 82.A O no hydrogen 2.768 N/A LEU 92.A N THR 108.A O no hydrogen 3.250 N/A LEU 94.A N ILE 106.A O no hydrogen 2.932 N/A ALA 95.A N SER 76.A O no hydrogen 2.821 N/A CYS 96.A N ARG 104.A O no hydrogen 3.000 N/A VAL 97.A N HIS 74.A O no hydrogen 2.971 N/A CYS 98.A N THR 102.A O no hydrogen 3.154 N/A GLN 99.A N PRO 71.A O no hydrogen 2.847 N/A ASN 101.A N CYS 98.A O no hydrogen 2.888 N/A THR 102.A N ASP 100.A OD1 no hydrogen 3.135 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.559 N/A THR 102.A OG1 ASP 100.A OD2 no hydrogen 3.452 N/A VAL 103.A N LEU 119.A O no hydrogen 3.112 N/A ARG 104.A N CYS 96.A O no hydrogen 2.882 N/A ARG 104.A NE THR 102.A OG1 no hydrogen 2.873 N/A ARG 104.A NH1 GLN 116.A OE1 no hydrogen 2.724 N/A ARG 104.A NH2 ASP 100.A OD2 no hydrogen 2.928 N/A LEU 105.A N HIS 117.A O no hydrogen 2.999 N/A ILE 106.A N LEU 94.A O no hydrogen 2.789 N/A ILE 107.A N THR 115.A O no hydrogen 2.845 N/A THR 108.A N LEU 92.A O no hydrogen 2.869 N/A THR 108.A OG1 ASN 110.A O no hydrogen 2.893 N/A LYS 109.A N THR 112.A O no hydrogen 2.856 N/A LYS 109.A NZ SER 91.A OG no hydrogen 2.852 N/A ASN 110.A N TYR 90.A O no hydrogen 2.819 N/A ASN 110.A ND2 PRO 88.A O no hydrogen 3.232 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.988 N/A THR 112.A N LYS 109.A O no hydrogen 2.935 N/A THR 115.A N ILE 107.A O no hydrogen 3.253 N/A HIS 117.A N LEU 105.A O no hydrogen 2.872 N/A LEU 119.A N VAL 103.A O no hydrogen 2.747 N/A GLY 124.A N GLY 120.A O no hydrogen 3.092 N/A HIS 125.A ND1 ASP 155.A OD1 no hydrogen 3.143 N/A HIS 125.A ND1 ASP 155.A OD2 no hydrogen 3.240 N/A HIS 125.A NE2 SER 151.A OG no hydrogen 2.687 N/A HIS 126.A N ASP 155.A OD2 no hydrogen 2.947 N/A HIS 126.A NE2 LYS 122.A O no hydrogen 3.046 N/A PHE 128.A N ASN 127.A OD1 no hydrogen 2.685 N/A ASN 130.A N VAL 152.A O no hydrogen 2.860 N/A ASN 130.A ND2 ASP 154.A OD1 no hydrogen 2.915 N/A ASN 130.A ND2 GLY 179.A O no hydrogen 2.787 N/A ILE 132.A N ASP 131.A OD1 no hydrogen 2.730 N/A ASP 133.A N ALA 150.A O no hydrogen 2.882 N/A ILE 134.A N ASP 133.A OD1 no hydrogen 2.813 N/A ALA 135.A N VAL 148.A O no hydrogen 2.805 N/A VAL 137.A N GLU 146.A O no hydrogen 2.773 N/A ASN 142.A N SER 139.A O no hydrogen 2.980 N/A ALA 145.A N VAL 137.A O no hydrogen 2.830 N/A GLU 146.A N VAL 137.A O no hydrogen 3.107 N/A GLN 147.A N LEU 163.A O no hydrogen 3.086 N/A GLN 147.A NE2 ASP 136.A OD1 no hydrogen 3.223 N/A VAL 148.A N ALA 135.A O no hydrogen 2.808 N/A ILE 149.A N TRP 161.A O no hydrogen 2.829 N/A ALA 150.A N ASP 133.A O no hydrogen 2.912 N/A SER 151.A N ILE 159.A O no hydrogen 3.045 N/A SER 151.A OG HIS 125.A NE2 no hydrogen 2.687 N/A VAL 152.A N ASP 131.A O no hydrogen 3.200 N/A GLY 153.A N THR 157.A O no hydrogen 3.417 N/A ASP 154.A N PHE 128.A O no hydrogen 2.833 N/A CYS 156.A N GLY 153.A O no hydrogen 3.150 N/A CYS 156.A SG ASP 154.A O no hydrogen 3.740 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.393 N/A LEU 158.A N TYR 173.A O no hydrogen 2.814 N/A ILE 159.A N SER 151.A O no hydrogen 2.875 N/A ILE 160.A N ALA 171.A O no hydrogen 2.785 N/A TRP 161.A N ILE 149.A O no hydrogen 2.873 N/A ARG 162.A N ILE 169.A O no hydrogen 2.790 N/A ARG 162.A NH1 GLU 146.A OE1 no hydrogen 3.098 N/A ARG 162.A NH1 GLU 146.A OE2 no hydrogen 3.064 N/A LEU 163.A N GLN 147.A O no hydrogen 2.804 N/A THR 164.A N GLY 167.A O no hydrogen 3.131 N/A THR 164.A OG1 GLY 167.A O no hydrogen 3.194 N/A GLY 167.A N THR 164.A O no hydrogen 3.162 N/A ILE 169.A N ARG 162.A O no hydrogen 2.780 N/A ALA 171.A N ILE 160.A O no hydrogen 2.981 N/A TYR 173.A N LEU 158.A O no hydrogen 2.741 N/A LEU 175.A N CYS 156.A O no hydrogen 2.796 N/A SER 176.A N GLU 196.A OE1 no hydrogen 3.131 N/A SER 176.A N GLU 196.A OE2 no hydrogen 3.184 N/A SER 176.A OG GLU 196.A OE1 no hydrogen 2.577 N/A SER 177.A OG GLU 196.A OE1 no hydrogen 2.859 N/A GLY 179.A N GLY 153.A O no hydrogen 2.916 N/A ILE 180.A N GLY 195.A O no hydrogen 2.822 N/A SER 181.A N GLY 195.A O no hydrogen 3.311 N/A SER 181.A OG VAL 234.A O no hydrogen 3.485 N/A VAL 182.A N ASP 131.A OD2 no hydrogen 3.018 N/A GLN 183.A N ILE 193.A O no hydrogen 3.022 N/A PHE 184.A N ASP 133.A OD2 no hydrogen 2.938 N/A ARG 185.A N GLN 191.A O no hydrogen 2.806 N/A ARG 185.A NE GLY 241.A O no hydrogen 3.060 N/A ARG 185.A NH1 GLN 191.A OE1 no hydrogen 2.822 N/A ARG 185.A NH2 GLY 241.A O no hydrogen 2.737 N/A SER 187.A OG SER 239.A O no hydrogen 2.774 N/A ASN 188.A N ARG 185.A O no hydrogen 2.869 N/A ASN 188.A ND2 PRO 186.A O no hydrogen 3.088 N/A GLN 191.A N ASN 188.A O no hydrogen 3.061 N/A LEU 192.A N PHE 204.A O no hydrogen 2.878 N/A ILE 193.A N GLN 183.A O no hydrogen 2.886 N/A VAL 194.A N ARG 202.A O no hydrogen 2.776 N/A GLY 195.A N SER 181.A O no hydrogen 2.927 N/A GLU 196.A N ASN 200.A O no hydrogen 2.905 N/A ARG 197.A N PRO 178.A O no hydrogen 2.848 N/A ASN 198.A N SER 177.A OG no hydrogen 3.276 N/A ASN 198.A ND2 SER 176.A OG no hydrogen 3.041 N/A GLY 199.A N GLU 196.A O no hydrogen 3.132 N/A ASN 200.A N ASN 198.A OD1 no hydrogen 2.753 N/A ASN 200.A ND2 SER 176.A OG no hydrogen 3.063 N/A ILE 201.A N LEU 219.A O no hydrogen 2.884 N/A ARG 202.A N VAL 194.A O no hydrogen 2.876 N/A ARG 202.A NE GLU 196.A OE2 no hydrogen 2.770 N/A ARG 202.A NH1 THR 218.A OG1 no hydrogen 2.808 N/A ARG 202.A NH2 SER 176.A OG no hydrogen 3.337 N/A ARG 202.A NH2 GLU 196.A OE2 no hydrogen 3.130 N/A ILE 203.A N LEU 217.A O no hydrogen 2.863 N/A PHE 204.A N LEU 192.A O no hydrogen 3.016 N/A TRP 206.A N ASN 190.A O no hydrogen 3.072 N/A TRP 206.A NE1 PRO 189.A O no hydrogen 2.705 N/A THR 207.A N ASP 205.A OD1 no hydrogen 2.864 N/A THR 207.A OG1 ASP 205.A OD1 no hydrogen 2.450 N/A LEU 216.A N ILE 203.A O no hydrogen 2.883 N/A LEU 219.A N ILE 201.A O no hydrogen 2.851 N/A THR 221.A N GLY 199.A O no hydrogen 2.992 N/A THR 221.A OG1 GLY 199.A O no hydrogen 3.513 N/A THR 221.A OG1 SER 230.A OG no hydrogen 3.101 N/A LEU 222.A N ASN 220.A OD1 no hydrogen 3.071 N/A LEU 224.A N THR 221.A O no hydrogen 2.976 N/A VAL 225.A N THR 221.A O no hydrogen 3.164 N/A SER 230.A OG THR 221.A OG1 no hydrogen 3.101 N/A ALA 232.A N MET 247.A O no hydrogen 2.656 N/A ASN 233.A N MET 247.A O no hydrogen 3.163 N/A ASN 233.A ND2 ALA 276.A O no hydrogen 2.828 N/A VAL 234.A N SER 181.A OG no hydrogen 3.115 N/A ARG 235.A N LEU 245.A O no hydrogen 2.742 N/A ARG 235.A NE VAL 234.A O no hydrogen 3.292 N/A ARG 235.A NH2 ASP 131.A OD2 no hydrogen 2.845 N/A TRP 236.A N GLN 183.A OE1 no hydrogen 2.869 N/A TRP 236.A NE1 GLN 183.A O no hydrogen 3.020 N/A ILE 237.A N GLY 243.A O no hydrogen 2.765 N/A ASP 240.A N ASP 240.A OD1 no hydrogen 2.551 N/A GLY 241.A N GLY 238.A O no hydrogen 2.902 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.939 N/A GLY 243.A N ILE 237.A O no hydrogen 3.052 N/A ILE 244.A N TRP 256.A O no hydrogen 2.904 N/A LEU 245.A N ARG 235.A O no hydrogen 2.749 N/A ALA 246.A N LEU 254.A O no hydrogen 2.778 N/A MET 247.A N ASN 233.A O no hydrogen 2.901 N/A CYS 248.A N ALA 252.A O no hydrogen 2.746 N/A CYS 248.A SG SER 229.A O no hydrogen 3.429 N/A CYS 248.A SG ALA 252.A O no hydrogen 3.696 N/A GLY 251.A N CYS 248.A O no hydrogen 2.839 N/A ALA 252.A N SER 250.A OG no hydrogen 3.241 N/A TRP 253.A N GLY 266.A O no hydrogen 2.813 N/A LEU 254.A N ALA 246.A O no hydrogen 2.858 N/A ARG 255.A N VAL 264.A O no hydrogen 3.016 N/A ARG 255.A NH1 ASP 284.A OD1 no hydrogen 3.103 N/A ARG 255.A NH1 THR 301.A OG1 no hydrogen 2.818 N/A TRP 256.A N ILE 244.A O no hydrogen 2.924 N/A LEU 258.A N SER 242.A O no hydrogen 2.918 N/A VAL 264.A N ARG 255.A O no hydrogen 3.370 N/A GLN 265.A NE2 LEU 224.A O no hydrogen 2.952 N/A GLY 266.A N TRP 253.A O no hydrogen 3.093 N/A SER 268.A N GLY 251.A O no hydrogen 2.720 N/A SER 268.A OG PHE 270.A O no hydrogen 3.074 N/A SER 268.A OG GLN 297.A OE1 no hydrogen 2.833 N/A LEU 269.A N GLN 297.A OE1 no hydrogen 2.860 N/A PHE 270.A N SER 268.A OG no hydrogen 3.086 N/A SER 272.A N LYS 249.A O no hydrogen 2.841 N/A SER 272.A OG THR 288.A OG1 no hydrogen 2.919 N/A ALA 276.A N ASN 233.A OD1 no hydrogen 2.929 N/A CYS 277.A N ALA 287.A O no hydrogen 2.859 N/A HIS 279.A N TYR 285.A O no hydrogen 2.896 N/A HIS 279.A NE2 GLY 326.A O no hydrogen 2.753 N/A ARG 281.A N HIS 279.A ND1 no hydrogen 3.029 N/A ARG 281.A NE GLN 324.A O no hydrogen 2.966 N/A TYR 282.A N HIS 279.A ND1 no hydrogen 3.066 N/A TYR 285.A N TYR 282.A O no hydrogen 2.966 N/A PHE 286.A N ILE 299.A O no hydrogen 2.994 N/A ALA 287.A N CYS 277.A O no hydrogen 2.860 N/A THR 288.A N GLN 297.A O no hydrogen 2.898 N/A THR 288.A OG1 SER 272.A OG no hydrogen 2.919 N/A HIS 290.A N LEU 295.A O no hydrogen 2.700 N/A HIS 293.A N HIS 290.A ND1 no hydrogen 3.451 N/A GLY 294.A N HIS 290.A O no hydrogen 2.891 N/A LEU 295.A N HIS 290.A O no hydrogen 3.145 N/A ILE 296.A N ILE 311.A O no hydrogen 2.969 N/A GLN 297.A N THR 288.A O no hydrogen 2.741 N/A LEU 298.A N SER 308.A O no hydrogen 2.826 N/A ILE 299.A N PHE 286.A O no hydrogen 2.925 N/A THR 301.A N ASP 284.A O no hydrogen 2.702 N/A THR 301.A OG1 ASP 284.A O no hydrogen 3.357 N/A TYR 302.A N ASN 300.A OD1 no hydrogen 2.881 N/A GLU 303.A N ASN 300.A O no hydrogen 3.257 N/A LYS 304.A NZ GLN 265.A O no hydrogen 2.796 N/A SER 308.A N SER 306.A O no hydrogen 2.811 N/A ILE 309.A N GLY 1.A O no hydrogen 2.760 N/A LEU 313.A N GLY 294.A O no hydrogen 2.881 N/A ILE 317.A N SER 291.A O no hydrogen 2.746 N/A VAL 318.A N ALA 332.A O no hydrogen 2.772 N/A PHE 320.A N ASP 319.A OD1 no hydrogen 2.851 N/A CYS 321.A N ALA 330.A O no hydrogen 2.962 N/A CYS 321.A SG THR 21.A OG1 no hydrogen 3.490 N/A TRP 322.A NE1 CYS 277.A O no hydrogen 2.885 N/A HIS 323.A N HIS 328.A O no hydrogen 2.917 N/A HIS 323.A NE2 ASN 32.A OD1 no hydrogen 2.932 N/A ASP 325.A N HIS 323.A ND1 no hydrogen 2.830 N/A GLY 326.A N HIS 323.A O no hydrogen 2.925 N/A SER 327.A N ASP 325.A OD1 no hydrogen 2.694 N/A HIS 328.A N ASP 325.A OD1 no hydrogen 3.140 N/A HIS 328.A ND1 ASP 325.A OD2 no hydrogen 2.906 N/A LEU 329.A N THR 340.A O no hydrogen 2.751 N/A ALA 330.A N CYS 321.A O no hydrogen 2.852 N/A ILE 331.A N LEU 338.A O no hydrogen 2.934 N/A ALA 332.A N ASP 319.A O no hydrogen 2.799 N/A THR 333.A N SER 336.A O no hydrogen 2.815 N/A THR 333.A OG1 SER 336.A O no hydrogen 3.270 N/A THR 333.A OG1 SER 336.A OG no hydrogen 2.608 N/A SER 336.A OG THR 333.A OG1 no hydrogen 2.608 N/A VAL 337.A N TYR 10.A O no hydrogen 2.967 N/A LEU 338.A N ILE 331.A O no hydrogen 2.762 N/A LEU 339.A N ASN 8.A O no hydrogen 2.787 N/A THR 340.A N LEU 329.A O no hydrogen 2.903 N/A THR 340.A OG1 SER 7.A OG no hydrogen 2.919 N/A ARG 341.A N SER 6.A O no hydrogen 2.845 N/A LEU 342.A N SER 327.A O no hydrogen 2.773 N/A MET 343.A N THR 4.A O no hydrogen 3.030 N/A PHE 345.A N LEU 342.A O no hydrogen 3.141 N/A THR 346.A N MET 343.A O no hydrogen 3.022 N/A