Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 4.A ND1 no hydrogen 3.184 N/A HIS 4.A N ALA 1.A O no hydrogen 3.024 N/A HIS 5.A N HIS 2.A O no hydrogen 2.910 N/A HIS 5.A ND1 GLU 78.A O no hydrogen 2.724 N/A HIS 6.A N HIS 3.A O no hydrogen 2.980 N/A HIS 7.A N HIS 4.A O no hydrogen 3.097 N/A HIS 7.A ND1 TYR 12.A OH no hydrogen 2.628 N/A CYS 10.A SG TYR 12.A O no hydrogen 3.573 N/A TYR 12.A OH HIS 7.A ND1 no hydrogen 2.628 N/A VAL 15.A N MET 23.A O no hydrogen 2.905 N/A LEU 17.A N VAL 21.A O no hydrogen 2.840 N/A HIS 18.A NE2 ARG 164.A O no hydrogen 2.792 N/A ASN 19.A ND2 TYR 136.A OH no hydrogen 2.952 N/A ASN 19.A ND2 ARG 142.A O no hydrogen 3.075 N/A SER 20.A N LEU 17.A O no hydrogen 2.853 N/A VAL 21.A N ASN 19.A OD1 no hydrogen 3.154 N/A ARG 22.A NE HIS 6.A O no hydrogen 2.814 N/A ARG 22.A NH2 HIS 7.A O no hydrogen 3.022 N/A MET 23.A N VAL 15.A O no hydrogen 2.864 N/A GLN 25.A N ASN 13.A O no hydrogen 2.861 N/A GLN 25.A NE2 ILE 232.A O no hydrogen 2.988 N/A GLN 25.A NE2 ILE 236.A O no hydrogen 3.027 N/A GLY 27.A N THR 238.A O no hydrogen 2.954 N/A LEU 28.A N HIS 53.A O no hydrogen 2.885 N/A GLY 29.A N PRO 240.A O no hydrogen 3.092 N/A VAL 30.A N ASP 55.A O no hydrogen 3.215 N/A ARG 32.A NH1.B SER 200.A OG no hydrogen 2.679 N/A ARG 32.A NH2.B SER 200.A OG no hydrogen 2.989 N/A ALA 33.A N VAL 30.A O no hydrogen 3.095 N/A GLN 34.A N GLU 38.A OE1 no hydrogen 2.829 N/A THR 39.A N GLN 34.A O no hydrogen 3.153 N/A THR 39.A OG1 GLN 34.A O no hydrogen 2.724 N/A ALA 40.A N GLY 36.A O no hydrogen 2.895 N/A ASN 41.A N ALA 37.A O no hydrogen 2.806 N/A ALA 42.A N GLU 38.A O no hydrogen 3.163 N/A VAL 43.A N THR 39.A O no hydrogen 2.922 N/A ARG 44.A N ALA 40.A O no hydrogen 2.866 N/A ARG 44.A NH1 ASN 41.A OD1 no hydrogen 2.769 N/A ARG 44.A NH1 GLU 72.A OE1 no hydrogen 3.038 N/A ARG 44.A NH2 ASN 41.A OD1 no hydrogen 3.294 N/A TRP 45.A N ASN 41.A O no hydrogen 2.793 N/A ALA 46.A N ALA 42.A O no hydrogen 2.890 N/A ILE 47.A N VAL 43.A O no hydrogen 2.907 N/A GLU 48.A N ARG 44.A O no hydrogen 2.843 N/A ALA 49.A N TRP 45.A O no hydrogen 2.945 N/A GLY 50.A N ILE 47.A O no hydrogen 3.042 N/A TYR 51.A N ALA 46.A O no hydrogen 2.911 N/A TYR 51.A OH ILE 248.A O no hydrogen 2.709 N/A ARG 52.A NH1 ILE 47.A O no hydrogen 2.869 N/A ARG 52.A NH1 TYR 51.A O no hydrogen 2.863 N/A HIS 53.A ND1 PRO 24.A O no hydrogen 2.923 N/A ILE 54.A N TRP 81.A O no hydrogen 2.873 N/A ASP 55.A N LEU 28.A O no hydrogen 2.868 N/A THR 56.A N THR 83.A O no hydrogen 2.960 N/A THR 56.A OG1 ASN 62.A OD1 no hydrogen 2.863 N/A ALA 57.A N THR 56.A OG1 no hydrogen 2.706 N/A TYR 58.A N LYS 85.A O no hydrogen 3.505 N/A TYR 60.A N ALA 57.A O no hydrogen 3.056 N/A SER 61.A N TYR 58.A O no hydrogen 3.034 N/A SER 61.A OG.B ILE 59.A O no hydrogen 3.372 N/A ASN 62.A ND2 VAL 30.A O no hydrogen 2.893 N/A ASN 62.A ND2 ALA 33.A O no hydrogen 2.982 N/A ASN 62.A ND2 THR 39.A OG1 no hydrogen 3.284 N/A GLY 65.A N ASP 35.A OD1 no hydrogen 2.795 N/A VAL 66.A N ASN 62.A O no hydrogen 2.975 N/A GLY 67.A N GLU 63.A O no hydrogen 3.138 N/A GLN 68.A N ARG 64.A O no hydrogen 2.994 N/A GLY 69.A N GLY 65.A O no hydrogen 2.928 N/A ILE 70.A N VAL 66.A O no hydrogen 3.001 N/A ARG 71.A N GLY 67.A O no hydrogen 2.972 N/A ARG 71.A NH1 LEU 107.A O no hydrogen 3.076 N/A GLU 72.A N GLN 68.A O no hydrogen 2.851 N/A SER 73.A N GLY 69.A O no hydrogen 3.029 N/A SER 73.A N ILE 70.A O no hydrogen 3.243 N/A SER 73.A OG ILE 70.A O no hydrogen 2.704 N/A GLY 74.A N ARG 71.A O no hydrogen 3.135 N/A VAL 75.A N SER 73.A OG no hydrogen 3.169 N/A ARG 77.A NH1 TYR 111.A O no hydrogen 2.879 N/A ARG 77.A NH1 ASP 113.A OD2 no hydrogen 2.922 N/A ARG 77.A NH2 ARG 77.A O no hydrogen 2.935 N/A ARG 77.A NH2 VAL 80.A O no hydrogen 2.693 N/A ARG 77.A NH2 ASP 113.A OD2 no hydrogen 3.177 N/A GLU 79.A N PRO 76.A O no hydrogen 2.946 N/A VAL 80.A N ARG 77.A O no hydrogen 2.979 N/A TRP 81.A N ARG 52.A O no hydrogen 2.790 N/A TRP 81.A NE1 THR 83.A OG1 no hydrogen 2.971 N/A VAL 82.A N ASP 113.A OD2 no hydrogen 2.852 N/A THR 83.A N ILE 54.A O no hydrogen 3.017 N/A THR 84.A N LEU 114.A O no hydrogen 3.068 N/A THR 84.A OG1 GLU 63.A OE2 no hydrogen 2.708 N/A LYS 85.A N THR 84.A OG1 no hydrogen 2.813 N/A LYS 85.A NZ ASP 55.A OD1 no hydrogen 2.691 N/A LYS 85.A NZ ASP 55.A OD2 no hydrogen 3.544 N/A LYS 85.A NZ THR 56.A O no hydrogen 2.858 N/A LYS 85.A NZ TYR 60.A OH no hydrogen 3.102 N/A VAL 86.A N LEU 116.A O no hydrogen 2.897 N/A ASN 88.A ND2 PRO 285.A O no hydrogen 2.926 N/A SER 89.A OG.B GLY 286.A O no hydrogen 2.707 N/A ASP 90.A N TRP 87.A O no hydrogen 2.889 N/A GLN 91.A N ASN 88.A O no hydrogen 3.333 N/A GLN 91.A NE2 TRP 119.A O no hydrogen 2.784 N/A GLY 92.A N THR 128.A OG1 no hydrogen 2.947 N/A TYR 93.A N ASP 127.A OD2 no hydrogen 2.885 N/A LYS 95.A NZ GLU 288.A OE1 no hydrogen 2.381 N/A THR 96.A N GLY 92.A O no hydrogen 2.857 N/A THR 96.A OG1 ASP 90.A O no hydrogen 2.937 N/A THR 96.A OG1 GLY 92.A O no hydrogen 2.962 N/A LEU 97.A N TYR 93.A O no hydrogen 3.121 N/A ALA 98.A N GLU 94.A O no hydrogen 3.032 N/A ALA 99.A N LYS 95.A O no hydrogen 2.883 N/A PHE 100.A N THR 96.A O no hydrogen 2.917 N/A GLU 101.A N LEU 97.A O no hydrogen 3.237 N/A ARG 102.A N ALA 98.A O no hydrogen 3.056 N/A SER 103.A N ALA 99.A O no hydrogen 2.951 N/A SER 103.A OG GLU 63.A OE1 no hydrogen 3.449 N/A SER 103.A OG GLU 63.A OE2 no hydrogen 2.631 N/A SER 103.A OG ALA 99.A O no hydrogen 3.568 N/A ARG 104.A N PHE 100.A O no hydrogen 2.905 N/A ARG 104.A NE.A GLU 101.A OE1 no hydrogen 3.211 N/A ARG 104.A NE.B GLU 101.A OE1 no hydrogen 3.313 N/A ARG 104.A NH1.A GLU 110.A O no hydrogen 2.770 N/A ARG 104.A NH1.B GLU 101.A OE1 no hydrogen 2.828 N/A ARG 104.A NH2.A GLU 101.A OE1 no hydrogen 2.634 N/A ARG 104.A NH2.B LEU 109.A O no hydrogen 2.897 N/A GLU 105.A N GLU 101.A O no hydrogen 2.960 N/A LEU 106.A N ARG 102.A O no hydrogen 2.888 N/A LEU 107.A N SER 103.A O no hydrogen 2.940 N/A GLY 108.A N GLU 105.A O no hydrogen 3.031 N/A LEU 109.A N ARG 104.A O no hydrogen 3.062 N/A ILE 112.A N LYS 140.A O no hydrogen 3.054 N/A ASP 113.A N VAL 82.A O no hydrogen 3.151 N/A LEU 114.A N VAL 82.A O no hydrogen 3.216 N/A TYR 115.A N ALA 143.A O no hydrogen 3.238 N/A LEU 116.A N THR 84.A O no hydrogen 3.049 N/A ILE 117.A N GLY 145.A O no hydrogen 3.069 N/A HIS 118.A N VAL 86.A O no hydrogen 3.193 N/A LYS 122.A NZ ASP 281.A O no hydrogen 2.818 N/A LYS 122.A NZ ASP 281.A OD1 no hydrogen 3.136 N/A LYS 124.A NZ GLU 288.A O no hydrogen 2.689 N/A THR 128.A N LYS 124.A O no hydrogen 2.993 N/A THR 128.A OG1 LYS 124.A O no hydrogen 2.754 N/A TRP 129.A N PHE 125.A O no hydrogen 2.869 N/A TRP 129.A NE1 ILE 163.A O no hydrogen 2.842 N/A LYS 130.A N VAL 126.A O no hydrogen 3.165 N/A ALA 131.A N ASP 127.A O no hydrogen 3.382 N/A LEU 132.A N THR 128.A O no hydrogen 3.145 N/A GLU 133.A N TRP 129.A O no hydrogen 2.877 N/A LYS 134.A N LYS 130.A O no hydrogen 3.040 N/A LYS 134.A NZ GLU 137.A OE1.A no hydrogen 2.971 N/A LYS 134.A NZ GLU 137.A OE1.B no hydrogen 3.348 N/A LYS 134.A NZ GLU 137.A OE2.B no hydrogen 3.396 N/A LEU 135.A N ALA 131.A O no hydrogen 2.911 N/A TYR 136.A N LEU 132.A O no hydrogen 2.965 N/A GLU 137.A N GLU 133.A O no hydrogen 2.901 N/A GLU 138.A N LYS 134.A O no hydrogen 2.912 N/A LYS 139.A N TYR 136.A O no hydrogen 3.017 N/A LYS 140.A N LEU 135.A O no hydrogen 3.029 N/A LYS 140.A NZ GLU 101.A OE2 no hydrogen 2.808 N/A ARG 142.A N ILE 112.A O no hydrogen 3.110 N/A ARG 142.A NH1 ASP 113.A OD1 no hydrogen 2.920 N/A GLY 145.A N TYR 115.A O no hydrogen 3.086 N/A VAL 146.A N VAL 167.A O no hydrogen 2.911 N/A SER 147.A OG GLN 169.A O no hydrogen 2.735 N/A ASN 148.A N GLN 169.A O no hydrogen 2.932 N/A ASN 148.A ND2 HIS 118.A O no hydrogen 2.904 N/A PHE 149.A N ASN 168.A OD1 no hydrogen 3.342 N/A GLU 150.A N HIS 153.A ND1 no hydrogen 2.976 N/A LEU 154.A N GLU 150.A O no hydrogen 3.058 N/A THR 155.A N PRO 151.A O no hydrogen 2.885 N/A THR 155.A OG1 PRO 151.A O no hydrogen 3.108 N/A GLU 156.A N HIS 152.A O no hydrogen 3.060 N/A LEU 157.A N HIS 153.A O no hydrogen 2.917 N/A PHE 158.A N LEU 154.A O no hydrogen 2.799 N/A LYS 159.A N GLU 156.A O no hydrogen 3.251 N/A SER 160.A N LEU 157.A O no hydrogen 2.914 N/A CYS 161.A N LEU 157.A O no hydrogen 2.980 N/A CYS 161.A SG LEU 157.A O no hydrogen 3.494 N/A CYS 161.A SG ILE 163.A O no hydrogen 3.778 N/A LYS 162.A N GLU 133.A OE2 no hydrogen 2.743 N/A ILE 163.A N GLU 133.A OE2 no hydrogen 2.955 N/A MET 166.A N ILE 144.A O no hydrogen 2.930 N/A ASN 168.A N ALA 191.A O no hydrogen 2.831 N/A ASN 168.A ND2 PHE 149.A O no hydrogen 2.894 N/A GLN 169.A N VAL 146.A O no hydrogen 3.009 N/A GLN 169.A NE2 ASP 55.A OD2 no hydrogen 2.894 N/A VAL 170.A N THR 193.A O no hydrogen 2.876 N/A LEU 172.A N TRP 195.A O no hydrogen 3.080 N/A HIS 173.A N PHE 176.A O no hydrogen 3.159 N/A HIS 173.A NE2 GLU 171.A OE2 no hydrogen 2.767 N/A LEU 175.A N HIS 173.A ND1 no hydrogen 3.182 N/A PHE 176.A N HIS 173.A O no hydrogen 2.966 N/A GLN 177.A N ASN 271.A OD1 no hydrogen 2.963 N/A GLN 177.A NE2 PRO 174.A O no hydrogen 2.843 N/A GLN 177.A NE2 ILE 267.A O no hydrogen 3.000 N/A GLN 177.A NE2 ASP 268.A O no hydrogen 3.091 N/A GLN 178.A NE2 GLU 171.A O no hydrogen 2.885 N/A ARG 179.A NE GLN 177.A OE1 no hydrogen 3.409 N/A ARG 179.A NH2 GLN 177.A OE1 no hydrogen 2.984 N/A ARG 182.A N GLN 178.A O no hydrogen 2.840 N/A ARG 182.A NE.A GLN 177.A O no hydrogen 3.481 N/A ARG 182.A NH2.A GLN 177.A O no hydrogen 3.009 N/A ARG 182.A NH2.B HIS 234.A O no hydrogen 3.522 N/A GLU 183.A N ARG 179.A O no hydrogen 2.974 N/A PHE 184.A N THR 180.A O no hydrogen 3.059 N/A CYS 185.A N LEU 181.A O no hydrogen 2.862 N/A CYS 185.A SG LEU 181.A O no hydrogen 3.509 N/A LYS 186.A N ARG 182.A O no hydrogen 2.891 N/A GLN 187.A N GLU 183.A O no hydrogen 2.983 N/A HIS 188.A N PHE 184.A O no hydrogen 3.141 N/A ASN 189.A N LYS 186.A O no hydrogen 3.346 N/A ILE 190.A N CYS 185.A O no hydrogen 2.888 N/A ALA 191.A N MET 166.A O no hydrogen 3.000 N/A THR 193.A N ASN 168.A O no hydrogen 3.170 N/A ALA 194.A N VAL 237.A O no hydrogen 2.767 N/A TRP 195.A N VAL 170.A O no hydrogen 2.854 N/A TRP 195.A NE1 ASN 148.A OD1 no hydrogen 2.785 N/A SER 196.A OG.B SER 196.A O no hydrogen 2.548 N/A GLY 199.A N SER 196.A O no hydrogen 2.949 N/A LYS 208.A N GLY 205.A O no hydrogen 3.189 N/A ASN 209.A N ILE 206.A O no hydrogen 3.051 N/A LEU 212.A N ASN 209.A OD1 no hydrogen 3.017 N/A GLY 213.A N ASN 209.A O no hydrogen 2.950 N/A GLU 214.A N HIS 210.A O no hydrogen 2.924 N/A ILE 215.A N VAL 211.A O no hydrogen 3.063 N/A ALA 216.A N LEU 212.A O no hydrogen 2.876 N/A LYS 217.A N GLY 213.A O no hydrogen 2.933 N/A LYS 218.A N GLU 214.A O no hydrogen 3.070 N/A HIS 219.A N ILE 215.A O no hydrogen 3.199 N/A HIS 219.A N ALA 216.A O no hydrogen 3.151 N/A HIS 219.A NE2 GLU 263.A OE1 no hydrogen 2.762 N/A ASN 220.A N LYS 217.A O no hydrogen 3.204 N/A LYS 221.A N ALA 216.A O no hydrogen 2.993 N/A LYS 221.A NZ ASN 253.A O no hydrogen 2.890 N/A LYS 221.A NZ ASP 256.A OD1 no hydrogen 2.808 N/A SER 222.A N GLN 225.A OE1 no hydrogen 2.815 N/A SER 222.A OG GLU 250.A OE2 no hydrogen 2.702 N/A GLN 225.A N SER 222.A OG no hydrogen 3.124 N/A GLN 225.A NE2 GLU 250.A O no hydrogen 2.869 N/A VAL 226.A N SER 222.A O no hydrogen 2.981 N/A VAL 227.A N PRO 223.A O no hydrogen 2.946 N/A ILE 228.A N ALA 224.A O no hydrogen 2.963 N/A ARG 229.A N GLN 225.A O no hydrogen 2.897 N/A ARG 229.A NE GLN 233.A OE1 no hydrogen 2.838 N/A ARG 229.A NH1 VAL 254.A O no hydrogen 2.926 N/A TRP 230.A N VAL 226.A O no hydrogen 2.880 N/A TRP 230.A NE1 ASP 268.A OD1 no hydrogen 2.847 N/A ASP 231.A N VAL 227.A O no hydrogen 2.954 N/A ILE 232.A N ILE 228.A O no hydrogen 2.962 N/A GLN 233.A N ARG 229.A O no hydrogen 2.887 N/A GLN 233.A NE2 LEU 259.A O no hydrogen 2.972 N/A HIS 234.A N TRP 230.A O no hydrogen 3.042 N/A HIS 234.A NE2 ASP 268.A OD1 no hydrogen 2.736 N/A GLY 235.A N ILE 232.A O no hydrogen 2.923 N/A ILE 236.A N ASP 231.A O no hydrogen 3.117 N/A VAL 237.A N ILE 192.A O no hydrogen 3.019 N/A THR 238.A N GLN 25.A O no hydrogen 2.886 N/A THR 238.A OG1 ASP 231.A OD1 no hydrogen 2.793 N/A SER 242.A OG ASN 244.A O no hydrogen 3.343 N/A ASN 244.A N SER 242.A OG no hydrogen 2.969 N/A ARG 247.A N ASN 244.A OD1 no hydrogen 2.982 N/A ILE 248.A N ASN 244.A O no hydrogen 2.867 N/A GLN 249.A N LYS 245.A O no hydrogen 3.027 N/A GLU 250.A N GLY 246.A O no hydrogen 2.885 N/A ASN 251.A N ARG 247.A O no hydrogen 2.876 N/A PHE 252.A N GLN 249.A O no hydrogen 3.142 N/A ASN 253.A N GLU 250.A O no hydrogen 3.054 N/A VAL 254.A N PHE 252.A O no hydrogen 2.876 N/A LEU 259.A N GLN 233.A OE1 no hydrogen 2.806 N/A THR 260.A N GLU 263.A OE1 no hydrogen 3.006 N/A GLU 263.A N THR 260.A OG1 no hydrogen 2.989 N/A MET 264.A N THR 260.A O no hydrogen 2.936 N/A ARG 265.A N GLU 261.A O no hydrogen 2.981 N/A ARG 265.A NE GLU 262.A OE1 no hydrogen 2.866 N/A ARG 265.A NH1 GLU 269.A OE2 no hydrogen 2.910 N/A ARG 265.A NH2 GLU 262.A OE2 no hydrogen 2.850 N/A GLN 266.A N GLU 262.A O no hydrogen 2.907 N/A ILE 267.A N GLU 263.A O no hydrogen 3.091 N/A ASP 268.A N MET 264.A O no hydrogen 2.897 N/A GLU 269.A N ARG 265.A O no hydrogen 2.925 N/A LEU 270.A N ILE 267.A O no hydrogen 3.016 N/A ASN 271.A N ASP 268.A O no hydrogen 3.224 N/A ASN 271.A ND2 ASP 273.A OD1 no hydrogen 3.033 N/A GLU 272.A N LEU 175.A O no hydrogen 3.037 N/A ASP 273.A N ASN 271.A OD1 no hydrogen 3.107 N/A LYS 274.A N LEU 175.A O no hydrogen 3.014 N/A ILE 276.A N GLU 171.A OE2 no hydrogen 2.707 N/A GLY 277.A N GLU 171.A OE1 no hydrogen 2.857 N/A ASP 281.A N ASP 279.A OD1 no hydrogen 2.823 N/A ASN 282.A N ASP 279.A O no hydrogen 3.112 N/A PHE 283.A N ASP 279.A O no hydrogen 2.946 N/A