Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 3.272 N/A ARG 3.A NE ASN 55.A OD1 no hydrogen 2.822 N/A ASP 4.A N GLY 1.A O no hydrogen 3.170 N/A VAL 5.A N ILE 2.A O no hydrogen 3.368 N/A ASP 9.A N PRO 6.A O no hydrogen 2.763 N/A GLN 10.A NE2 VAL 5.A O no hydrogen 2.992 N/A LEU 13.A N ASP 9.A O no hydrogen 3.231 N/A PHE 14.A N GLN 10.A O no hydrogen 2.882 N/A ILE 15.A N GLU 11.A O no hydrogen 2.892 N/A GLN 16.A N LYS 12.A O no hydrogen 2.907 N/A LYS 17.A N LEU 13.A O no hydrogen 2.924 N/A LEU 18.A N PHE 14.A O no hydrogen 3.038 N/A ARG 19.A N ILE 15.A O no hydrogen 3.022 N/A ARG 19.A NE GLU 66.A OE1 no hydrogen 3.109 N/A ARG 19.A NH2 GLU 66.A OE2 no hydrogen 2.929 N/A GLN 20.A N GLN 16.A O no hydrogen 3.065 N/A CYS 21.A N LYS 17.A O no hydrogen 3.059 N/A CYS 21.A SG LYS 17.A O no hydrogen 3.345 N/A CYS 22.A N ARG 19.A O no hydrogen 3.021 N/A CYS 22.A SG LEU 18.A O no hydrogen 3.553 N/A CYS 22.A SG HIS 69.A ND1 no hydrogen 3.743 N/A VAL 23.A N GLN 20.A O no hydrogen 3.184 N/A VAL 28.A N ASP 26.A OD1 no hydrogen 2.650 N/A SER 29.A N ASP 26.A OD1 no hydrogen 2.975 N/A SER 29.A OG ASP 26.A OD2 no hydrogen 2.653 N/A SER 33.A N ASP 30.A O no hydrogen 2.981 N/A SER 33.A OG ASP 30.A O no hydrogen 2.580 N/A LYS 38.A N ASP 34.A O no hydrogen 2.944 N/A LYS 38.A NZ ASP 26.A O no hydrogen 3.181 N/A LYS 38.A NZ SER 33.A O no hydrogen 2.798 N/A GLU 39.A N LEU 35.A O no hydrogen 3.002 N/A VAL 40.A N LYS 36.A O no hydrogen 3.005 N/A LYS 41.A N TRP 37.A O no hydrogen 3.052 N/A LYS 41.A NZ CYS 21.A O no hydrogen 2.934 N/A LYS 41.A NZ VAL 23.A O no hydrogen 2.647 N/A LYS 41.A NZ ASN 74.A OD1 no hydrogen 2.826 N/A ARG 42.A N LYS 38.A O no hydrogen 2.951 N/A ARG 42.A NE GLU 39.A OE1 no hydrogen 2.917 N/A ARG 42.A NH2 GLU 39.A OE2 no hydrogen 2.955 N/A ALA 43.A N GLU 39.A O no hydrogen 2.885 N/A ALA 44.A N VAL 40.A O no hydrogen 3.066 N/A LEU 45.A N LYS 41.A O no hydrogen 3.000 N/A SER 46.A N ARG 42.A O no hydrogen 2.941 N/A GLU 47.A N ALA 43.A O no hydrogen 2.896 N/A MET 48.A N ALA 44.A O no hydrogen 2.958 N/A VAL 49.A N LEU 45.A O no hydrogen 3.107 N/A GLU 50.A N SER 46.A O no hydrogen 3.180 N/A TYR 51.A N GLU 47.A O no hydrogen 2.928 N/A TYR 51.A OH GLN 10.A OE1 no hydrogen 2.754 N/A ILE 52.A N MET 48.A O no hydrogen 3.186 N/A THR 53.A N VAL 49.A O no hydrogen 3.094 N/A THR 53.A OG1 VAL 49.A O no hydrogen 2.610 N/A HIS 54.A N GLU 50.A O no hydrogen 2.930 N/A ASN 55.A ND2 TYR 51.A O no hydrogen 2.746 N/A ARG 56.A NH1 ASN 55.A O no hydrogen 2.762 N/A ASN 57.A N ASP 107.A OD1 no hydrogen 3.005 N/A VAL 58.A N ASP 107.A OD2 no hydrogen 2.960 N/A ILE 59.A N ASP 107.A OD2 no hydrogen 3.314 N/A THR 60.A OG1 GLU 11.A OE2 no hydrogen 2.592 N/A ILE 63.A N THR 60.A O no hydrogen 3.035 N/A VAL 67.A N ILE 63.A O no hydrogen 2.945 N/A VAL 68.A N TYR 64.A O no hydrogen 3.131 N/A HIS 69.A N PRO 65.A O no hydrogen 2.930 N/A MET 70.A N GLU 66.A O no hydrogen 2.995 N/A PHE 71.A N VAL 67.A O no hydrogen 2.941 N/A ALA 72.A N VAL 68.A O no hydrogen 2.965 N/A VAL 73.A N HIS 69.A O no hydrogen 3.025 N/A ASN 74.A N MET 70.A O no hydrogen 3.170 N/A ASN 74.A ND2 CYS 21.A O no hydrogen 2.988 N/A ASN 74.A ND2 MET 70.A O no hydrogen 2.907 N/A MET 75.A N PHE 71.A O no hydrogen 2.841 N/A PHE 76.A N ALA 72.A O no hydrogen 2.870 N/A ARG 77.A NH1 MET 75.A O no hydrogen 2.856 N/A ARG 77.A NH1 GLU 136.A OE2 no hydrogen 3.054 N/A ARG 77.A NH2 GLU 86.A OE2 no hydrogen 3.305 N/A ARG 77.A NH2 GLU 136.A OE1 no hydrogen 2.814 N/A ARG 77.A NH2 GLU 136.A OE2 no hydrogen 3.151 N/A GLU 86.A N ASP 133.A OD2 no hydrogen 2.776 N/A ALA 88.A N GLU 86.A OE1 no hydrogen 3.071 N/A TRP 89.A N GLU 86.A O no hydrogen 3.097 N/A HIS 91.A N ALA 88.A O no hydrogen 2.994 N/A HIS 91.A NE2 LYS 38.A O no hydrogen 2.912 N/A LEU 92.A N ALA 88.A O no hydrogen 3.010 N/A GLN 93.A N TRP 89.A O no hydrogen 2.883 N/A LEU 94.A N HIS 91.A O no hydrogen 3.080 N/A VAL 95.A N HIS 91.A O no hydrogen 3.113 N/A TYR 96.A N LEU 92.A O no hydrogen 2.928 N/A TYR 96.A OH GLU 136.A OE2 no hydrogen 2.597 N/A GLU 97.A N GLN 93.A O no hydrogen 2.959 N/A PHE 98.A N LEU 94.A O no hydrogen 2.840 N/A PHE 99.A N VAL 95.A O no hydrogen 2.980 N/A LEU 100.A N TYR 96.A O no hydrogen 3.002 N/A ARG 101.A N GLU 97.A O no hydrogen 3.067 N/A ARG 101.A NH1 THR 53.A OG1 no hydrogen 2.646 N/A PHE 102.A N PHE 98.A O no hydrogen 2.867 N/A LEU 103.A N PHE 99.A O no hydrogen 2.962 N/A GLU 104.A N LEU 100.A O no hydrogen 3.014 N/A SER 105.A N PHE 102.A O no hydrogen 3.455 N/A ASP 107.A N SER 105.A OG no hydrogen 3.175 N/A PHE 108.A N SER 105.A O no hydrogen 3.169 N/A GLN 109.A N TYR 64.A OH no hydrogen 2.824 N/A ILE 112.A N GLN 109.A O no hydrogen 3.053 N/A ALA 113.A N GLN 109.A O no hydrogen 3.004 N/A LYS 114.A N PRO 110.A O no hydrogen 2.883 N/A LYS 115.A N ILE 112.A O no hydrogen 3.202 N/A LYS 115.A NZ GLU 61.A OE2 no hydrogen 3.012 N/A TYR 116.A N ALA 113.A O no hydrogen 2.898 N/A ILE 117.A N ALA 113.A O no hydrogen 2.877 N/A PHE 121.A N ASP 118.A OD1 no hydrogen 3.031 N/A VAL 122.A N ASP 118.A O no hydrogen 3.000 N/A LEU 123.A N GLN 119.A O no hydrogen 2.799 N/A GLN 124.A N LYS 120.A O no hydrogen 3.208 N/A GLN 124.A NE2 LYS 120.A O no hydrogen 3.440 N/A LEU 125.A N PHE 121.A O no hydrogen 3.004 N/A LEU 126.A N VAL 122.A O no hydrogen 2.906 N/A GLU 127.A N LEU 123.A O no hydrogen 3.248 N/A LEU 128.A N LEU 125.A O no hydrogen 2.997 N/A PHE 129.A N LEU 126.A O no hydrogen 3.178 N/A ASP 130.A N GLU 127.A O no hydrogen 3.451 N/A SER 131.A N LEU 128.A O no hydrogen 2.871 N/A SER 131.A OG GLU 136.A OE1 no hydrogen 2.734 N/A ASP 133.A N SER 131.A OG no hydrogen 3.146 N/A ARG 135.A N ASP 133.A OD1 no hydrogen 2.864 N/A ARG 135.A NE ASP 133.A OD1 no hydrogen 3.080 N/A ARG 135.A NH1 ASP 133.A OD2 no hydrogen 2.795 N/A ARG 137.A N ASP 133.A O no hydrogen 3.115 N/A ARG 137.A NE GLU 181.A OE2 no hydrogen 2.859 N/A ARG 137.A NH1 SER 131.A O no hydrogen 2.879 N/A ASP 138.A N PRO 134.A O no hydrogen 2.961 N/A PHE 139.A N ARG 135.A O no hydrogen 3.074 N/A LEU 140.A N GLU 136.A O no hydrogen 2.836 N/A LYS 141.A N ARG 137.A O no hydrogen 2.880 N/A LYS 141.A NZ ASP 138.A OD1 no hydrogen 3.451 N/A LYS 141.A NZ GLU 184.A OE1 no hydrogen 3.186 N/A LYS 141.A NZ GLU 184.A OE2 no hydrogen 3.146 N/A THR 142.A N ASP 138.A O no hydrogen 3.179 N/A THR 142.A OG1 ASP 138.A O no hydrogen 3.186 N/A THR 143.A N PHE 139.A O no hydrogen 2.899 N/A THR 143.A OG1 PHE 139.A O no hydrogen 2.837 N/A LEU 144.A N LEU 140.A O no hydrogen 2.855 N/A HIS 145.A N LYS 141.A O no hydrogen 3.112 N/A ARG 146.A N THR 142.A O no hydrogen 3.037 N/A ARG 146.A NE GLU 104.A OE1 no hydrogen 2.743 N/A ILE 147.A N THR 143.A O no hydrogen 3.049 N/A TYR 148.A N LEU 144.A O no hydrogen 2.889 N/A GLY 149.A N HIS 145.A O no hydrogen 3.081 N/A LYS 150.A N ARG 146.A O no hydrogen 2.992 N/A LYS 150.A NZ LEU 103.A O no hydrogen 3.466 N/A PHE 151.A N ILE 147.A O no hydrogen 2.913 N/A LEU 154.A N PHE 151.A O no hydrogen 3.009 N/A ARG 155.A N LEU 152.A O no hydrogen 3.222 N/A ARG 155.A NE TYR 148.A O no hydrogen 2.824 N/A ARG 155.A NH2 GLY 149.A O no hydrogen 3.007 N/A ILE 158.A N LEU 154.A O no hydrogen 2.909 N/A ARG 159.A N ARG 155.A O no hydrogen 3.066 N/A ARG 159.A NE GLU 200.A OE2 no hydrogen 2.933 N/A ARG 159.A NH1 TYR 148.A OH no hydrogen 2.779 N/A ARG 159.A NH2 GLU 200.A OE1 no hydrogen 3.146 N/A ARG 159.A NH2 GLU 200.A OE2 no hydrogen 3.281 N/A LYS 160.A N ALA 156.A O no hydrogen 3.088 N/A GLN 161.A N TYR 157.A O no hydrogen 2.983 N/A ILE 162.A N ILE 158.A O no hydrogen 2.997 N/A ASN 163.A N ARG 159.A O no hydrogen 3.092 N/A ASN 164.A N LYS 160.A O no hydrogen 2.975 N/A ASN 164.A ND2 GLN 161.A OE1 no hydrogen 2.790 N/A ILE 165.A N GLN 161.A O no hydrogen 3.048 N/A PHE 166.A N ILE 162.A O no hydrogen 2.904 N/A TYR 167.A N ASN 163.A O no hydrogen 2.825 N/A ARG 168.A N ASN 164.A O no hydrogen 3.125 N/A ARG 168.A NH1 GLU 172.A OE1 no hydrogen 2.901 N/A PHE 169.A N ILE 165.A O no hydrogen 3.049 N/A ILE 170.A N PHE 166.A O no hydrogen 2.893 N/A TYR 171.A N TYR 167.A O no hydrogen 2.852 N/A GLU 172.A N ARG 168.A O no hydrogen 2.840 N/A THR 173.A N ARG 168.A O no hydrogen 3.037 N/A THR 173.A OG1 HIS 175.A O no hydrogen 3.301 N/A GLU 174.A N PHE 169.A O no hydrogen 2.789 N/A HIS 175.A N THR 173.A OG1 no hydrogen 3.412 N/A ASN 177.A N ASP 130.A OD1 no hydrogen 2.965 N/A ASN 177.A ND2 ASP 130.A O no hydrogen 2.830 N/A GLY 178.A N HIS 176.A ND1 no hydrogen 3.119 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.714 N/A LEU 182.A N GLY 178.A O no hydrogen 3.143 N/A LEU 183.A N ILE 179.A O no hydrogen 2.901 N/A GLU 184.A N ALA 180.A O no hydrogen 2.919 N/A ILE 185.A N GLU 181.A O no hydrogen 3.179 N/A LEU 186.A N LEU 182.A O no hydrogen 2.971 N/A GLY 187.A N LEU 183.A O no hydrogen 2.814 N/A SER 188.A N GLU 184.A O no hydrogen 3.444 N/A SER 188.A OG ILE 185.A O no hydrogen 2.728 N/A ILE 189.A N ILE 185.A O no hydrogen 3.246 N/A ILE 190.A N LEU 186.A O no hydrogen 2.772 N/A ASN 191.A N GLY 187.A O no hydrogen 3.033 N/A ASN 191.A ND2 GLN 231.A OE1 no hydrogen 2.721 N/A GLY 192.A N ILE 189.A O no hydrogen 3.087 N/A PHE 193.A N ILE 190.A O no hydrogen 3.086 N/A HIS 201.A N LYS 198.A O no hydrogen 3.025 N/A LYS 202.A N LYS 198.A O no hydrogen 3.396 N/A ILE 203.A N GLU 199.A O no hydrogen 3.031 N/A PHE 204.A N GLU 200.A O no hydrogen 3.089 N/A LEU 205.A N HIS 201.A O no hydrogen 2.935 N/A LEU 206.A N LYS 202.A O no hydrogen 2.960 N/A LYS 207.A N ILE 203.A O no hydrogen 2.746 N/A VAL 208.A N PHE 204.A O no hydrogen 3.034 N/A LEU 209.A N PHE 204.A O no hydrogen 3.092 N/A LEU 210.A N LEU 205.A O no hydrogen 3.067 N/A LEU 212.A N VAL 208.A O no hydrogen 3.217 N/A HIS 213.A N LEU 210.A O no hydrogen 2.938 N/A HIS 213.A ND1 LEU 210.A O no hydrogen 2.852 N/A HIS 213.A NE2 GLU 265.A OE1 no hydrogen 2.746 N/A LYS 214.A N PRO 211.A O no hydrogen 3.018 N/A LEU 218.A N VAL 215.A O no hydrogen 2.990 N/A VAL 220.A N SER 217.A O no hydrogen 3.062 N/A TYR 221.A N LEU 218.A O no hydrogen 3.055 N/A TYR 221.A OH LEU 212.A O no hydrogen 2.806 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.773 N/A LEU 225.A N TYR 221.A O no hydrogen 3.019 N/A ALA 226.A N HIS 222.A O no hydrogen 2.842 N/A TYR 227.A N PRO 223.A O no hydrogen 3.135 N/A CYS 228.A N GLN 224.A O no hydrogen 3.199 N/A CYS 228.A SG LEU 183.A O no hydrogen 3.339 N/A CYS 228.A SG GLN 224.A O no hydrogen 3.564 N/A VAL 229.A N LEU 225.A O no hydrogen 3.059 N/A VAL 230.A N ALA 226.A O no hydrogen 2.956 N/A GLN 231.A N TYR 227.A O no hydrogen 3.009 N/A PHE 232.A N CYS 228.A O no hydrogen 3.230 N/A LEU 233.A N VAL 229.A O no hydrogen 3.355 N/A GLU 234.A N VAL 230.A O no hydrogen 3.051 N/A LYS 235.A N GLN 231.A O no hydrogen 3.117 N/A LYS 235.A NZ ASN 191.A O no hydrogen 2.708 N/A LYS 235.A NZ PHE 193.A O no hydrogen 2.844 N/A ASP 236.A N PHE 232.A O no hydrogen 3.007 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.980 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.553 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.341 N/A LEU 239.A N ASP 236.A O no hydrogen 3.367 N/A THR 240.A N SER 237.A O no hydrogen 3.120 N/A THR 240.A OG1 SER 237.A O no hydrogen 2.662 N/A VAL 243.A N LEU 239.A O no hydrogen 3.320 N/A VAL 244.A N THR 240.A O no hydrogen 2.957 N/A MET 245.A N GLU 241.A O no hydrogen 3.022 N/A ALA 246.A N PRO 242.A O no hydrogen 3.088 N/A LEU 247.A N VAL 243.A O no hydrogen 2.901 N/A LEU 248.A N VAL 244.A O no hydrogen 2.896 N/A LYS 249.A N MET 245.A O no hydrogen 3.001 N/A TYR 250.A N ALA 246.A O no hydrogen 2.953 N/A TRP 251.A NE1 GLU 259.A OE2 no hydrogen 2.912 N/A SER 256.A N GLU 259.A OE1 no hydrogen 2.915 N/A LYS 258.A N SER 256.A OG no hydrogen 2.999 N/A GLU 259.A N SER 256.A O no hydrogen 3.070 N/A VAL 260.A N PRO 257.A O no hydrogen 3.089 N/A LEU 263.A N GLU 259.A O no hydrogen 2.763 N/A ASN 264.A N VAL 260.A O no hydrogen 2.891 N/A GLU 265.A N MET 261.A O no hydrogen 2.978 N/A LEU 266.A N PHE 262.A O no hydrogen 2.972 N/A GLU 267.A N LEU 263.A O no hydrogen 2.941 N/A GLU 268.A N ASN 264.A O no hydrogen 3.073 N/A ILE 269.A N GLU 265.A O no hydrogen 2.911 N/A LEU 270.A N LEU 266.A O no hydrogen 2.918 N/A ASP 271.A N GLU 267.A O no hydrogen 2.880 N/A VAL 272.A N ILE 269.A O no hydrogen 3.112 N/A ILE 273.A N LEU 270.A O no hydrogen 3.262 N/A PHE 278.A N GLU 274.A O no hydrogen 2.892 N/A VAL 279.A N PRO 275.A O no hydrogen 3.186 N/A ILE 281.A N PHE 278.A O no hydrogen 3.159 N/A LEU 285.A N ILE 281.A O no hydrogen 3.081 N/A PHE 286.A N MET 282.A O no hydrogen 2.925 N/A ARG 287.A N GLU 283.A O no hydrogen 3.056 N/A GLN 288.A N PRO 284.A O no hydrogen 3.244 N/A LEU 289.A N LEU 285.A O no hydrogen 2.901 N/A ALA 290.A N PHE 286.A O no hydrogen 2.880 N/A LYS 291.A N ARG 287.A O no hydrogen 3.369 N/A CYS 292.A N GLN 288.A O no hydrogen 3.044 N/A CYS 292.A SG GLU 259.A OE2 no hydrogen 3.299 N/A CYS 292.A SG GLN 288.A O no hydrogen 3.535 N/A CYS 292.A SG GLN 288.A OE1 no hydrogen 3.669 N/A VAL 293.A N LEU 289.A O no hydrogen 2.869 N/A SER 294.A N ALA 290.A O no hydrogen 3.289 N/A SER 295.A N CYS 292.A O no hydrogen 3.019 N/A HIS 297.A N SER 295.A OG no hydrogen 3.027 N/A GLN 299.A N GLN 299.A OE1 no hydrogen 2.835 N/A ALA 301.A N HIS 297.A O no hydrogen 3.061 N/A GLU 302.A N PHE 298.A O no hydrogen 2.935 N/A ARG 303.A N GLN 299.A O no hydrogen 2.988 N/A ARG 303.A NE ASN 264.A OD1 no hydrogen 2.786 N/A ARG 303.A NH1 GLU 267.A OE1 no hydrogen 2.836 N/A ARG 303.A NH1 ARG 303.A O no hydrogen 2.938 N/A ARG 303.A NH2 ASN 264.A OD1 no hydrogen 2.760 N/A ARG 303.A NH2 GLU 267.A OE1 no hydrogen 2.681 N/A ALA 304.A N VAL 300.A O no hydrogen 2.975 N/A LEU 305.A N ALA 301.A O no hydrogen 3.008 N/A TYR 306.A N GLU 302.A O no hydrogen 3.094 N/A TYR 307.A N ALA 304.A O no hydrogen 3.097 N/A TYR 307.A OH LEU 263.A O no hydrogen 2.670 N/A TRP 308.A N LEU 305.A O no hydrogen 3.093 N/A ASN 309.A N TYR 306.A O no hydrogen 2.958 N/A ASN 310.A N TYR 307.A O no hydrogen 3.219 N/A ASN 310.A ND2 GLU 267.A OE2 no hydrogen 3.097 N/A ASN 310.A ND2 ASP 271.A OD1 no hydrogen 2.740 N/A TYR 312.A OH ILE 273.A O no hydrogen 2.636 N/A ILE 313.A N ASN 310.A OD1 no hydrogen 2.981 N/A MET 314.A N ASN 310.A O no hydrogen 2.874 N/A SER 315.A N GLU 311.A O no hydrogen 2.961 N/A SER 315.A OG TYR 312.A O no hydrogen 2.607 N/A LEU 316.A N TYR 312.A O no hydrogen 3.140 N/A ILE 317.A N ILE 313.A O no hydrogen 2.913 N/A SER 318.A N MET 314.A O no hydrogen 2.822 N/A SER 318.A OG MET 314.A O no hydrogen 2.809 N/A ASP 319.A N SER 315.A O no hydrogen 3.037 N/A ASN 320.A N ILE 317.A O no hydrogen 3.008 N/A LYS 323.A N ASN 320.A O no hydrogen 3.027 N/A ILE 324.A N ASN 320.A O no hydrogen 3.155 N/A LEU 325.A N ALA 321.A O no hydrogen 2.907 N/A ILE 327.A N ILE 324.A O no hydrogen 2.987 N/A MET 328.A N ILE 324.A O no hydrogen 3.016 N/A PHE 329.A N LEU 325.A O no hydrogen 2.798 N/A LEU 332.A N PHE 329.A O no hydrogen 2.972 N/A TYR 333.A N PHE 329.A O no hydrogen 2.897 N/A