Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4at3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 3.131 N/A ASP 4.A N GLY 1.A O no hydrogen 3.306 N/A THR 5.A N ALA 2.A O no hydrogen 3.207 N/A THR 5.A OG1 ALA 2.A O no hydrogen 2.734 N/A PHE 6.A N MET 3.A O no hydrogen 3.192 N/A ILE 10.A N VAL 77.A O no hydrogen 2.709 N/A ARG 12.A N GLU 80.A OE1 no hydrogen 3.414 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 3.096 N/A ASN 14.A N LYS 11.A O no hydrogen 3.093 N/A ILE 15.A N ARG 12.A O no hydrogen 3.090 N/A VAL 16.A N GLU 33.A O no hydrogen 2.939 N/A LYS 18.A N LEU 31.A O no hydrogen 2.772 N/A ARG 19.A N LEU 31.A O no hydrogen 3.409 N/A ARG 19.A NH1 GLU 20.A O no hydrogen 3.395 N/A LEU 21.A N VAL 29.A O no hydrogen 2.793 N/A GLY 27.A N GLY 24.A O no hydrogen 3.334 N/A LYS 28.A NZ GLU 20.A OE2 no hydrogen 3.355 N/A PHE 30.A N VAL 44.A O no hydrogen 2.831 N/A LEU 31.A N ARG 19.A O no hydrogen 2.819 N/A ALA 32.A N VAL 42.A O no hydrogen 2.844 N/A GLU 33.A N VAL 16.A O no hydrogen 2.883 N/A CYS 34.A N ILE 40.A O no hydrogen 2.784 N/A CYS 34.A SG ASN 14.A O no hydrogen 3.880 N/A TYR 35.A N ASN 14.A O no hydrogen 2.828 N/A TYR 35.A OH GLU 33.A OE1 no hydrogen 3.259 N/A ASN 36.A ND2 ASN 14.A OD1 no hydrogen 2.867 N/A CYS 38.A SG LEU 37.A O no hydrogen 3.259 N/A LYS 39.A NZ GLU 33.A OE2 no hydrogen 2.902 N/A ILE 40.A N CYS 34.A O no hydrogen 3.054 N/A VAL 42.A N ALA 32.A O no hydrogen 2.803 N/A ALA 43.A N PHE 88.A O no hydrogen 2.790 N/A VAL 44.A N PHE 30.A O no hydrogen 2.763 N/A LYS 45.A N MET 86.A O no hydrogen 2.902 N/A THR 46.A N LYS 28.A O no hydrogen 3.421 N/A THR 46.A OG1 LYS 28.A O no hydrogen 3.365 N/A LEU 47.A N LEU 84.A O no hydrogen 2.898 N/A ARG 53.A N SER 49.A O no hydrogen 2.798 N/A LYS 54.A N ASP 50.A O no hydrogen 3.377 N/A ASP 55.A N ASN 51.A O no hydrogen 3.076 N/A PHE 56.A N ALA 52.A O no hydrogen 2.985 N/A HIS 57.A N ARG 53.A O no hydrogen 3.166 N/A ARG 58.A N LYS 54.A O no hydrogen 3.142 N/A GLU 59.A N ASP 55.A O no hydrogen 2.809 N/A ALA 60.A N PHE 56.A O no hydrogen 2.820 N/A GLU 61.A N HIS 57.A O no hydrogen 2.844 N/A LEU 62.A N ARG 58.A O no hydrogen 3.134 N/A LEU 63.A N GLU 59.A O no hydrogen 2.928 N/A THR 64.A N ALA 60.A O no hydrogen 2.947 N/A THR 64.A OG1 ASP 4.A O no hydrogen 2.664 N/A GLN 67.A N TYR 135.A OH no hydrogen 3.044 N/A GLN 67.A NE2 THR 64.A O no hydrogen 3.153 N/A GLN 67.A NE2 PHE 74.A O no hydrogen 3.497 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.791 N/A HIS 70.A N HIS 68.A ND1 no hydrogen 3.049 N/A HIS 70.A ND1 VAL 159.A O no hydrogen 2.978 N/A ILE 71.A N HIS 68.A O no hydrogen 3.200 N/A VAL 72.A N ILE 161.A O no hydrogen 2.851 N/A LYS 73.A N GLU 89.A OE2 no hydrogen 2.830 N/A LYS 73.A NZ GLN 67.A OE1 no hydrogen 2.880 N/A TYR 75.A N VAL 87.A O no hydrogen 2.771 N/A VAL 77.A N GLN 8.A O no hydrogen 2.916 N/A CYS 78.A N ILE 85.A O no hydrogen 2.966 N/A CYS 78.A SG ILE 10.A O no hydrogen 3.334 N/A LEU 84.A N LEU 47.A O no hydrogen 2.935 N/A ILE 85.A N CYS 78.A O no hydrogen 2.923 N/A MET 86.A N LYS 45.A O no hydrogen 2.830 N/A VAL 87.A N GLY 76.A O no hydrogen 2.844 N/A PHE 88.A N ALA 43.A O no hydrogen 2.805 N/A GLU 89.A N LYS 73.A O no hydrogen 2.900 N/A LYS 92.A NZ GLU 155.A OE2 no hydrogen 3.491 N/A HIS 93.A N VAL 153.A O no hydrogen 2.945 N/A HIS 93.A ND1 GLY 154.A O no hydrogen 3.128 N/A GLY 94.A N MET 91.A O no hydrogen 3.284 N/A LEU 96.A N CYS 151.A O no hydrogen 2.866 N/A ASN 97.A N THR 148.A O no hydrogen 3.312 N/A ASN 97.A ND2 THR 148.A OG1 no hydrogen 3.147 N/A ASN 97.A ND2 GLU 212.A OE1 no hydrogen 3.483 N/A ASN 97.A ND2 GLY 217.A O no hydrogen 2.997 N/A LYS 98.A N ASP 95.A OD1 no hydrogen 3.060 N/A PHE 99.A N ASP 95.A O no hydrogen 3.124 N/A LEU 100.A N LEU 96.A O no hydrogen 2.828 N/A ARG 101.A N ASN 97.A O no hydrogen 3.118 N/A ARG 101.A NE ASN 97.A OD1 no hydrogen 2.978 N/A ALA 102.A N LYS 98.A O no hydrogen 2.936 N/A HIS 103.A N LEU 100.A O no hydrogen 3.216 N/A HIS 103.A ND1 PHE 99.A O no hydrogen 2.877 N/A GLY 104.A N ARG 101.A O no hydrogen 3.294 N/A VAL 108.A N GLY 104.A O no hydrogen 3.104 N/A LEU 109.A N PRO 105.A O no hydrogen 3.107 N/A MET 110.A N ASP 106.A O no hydrogen 2.853 N/A THR 115.A N LEU 288.A O no hydrogen 3.074 N/A THR 115.A OG1 LEU 288.A O no hydrogen 3.455 N/A LEU 117.A N HIS 103.A O no hydrogen 2.855 N/A THR 118.A N GLN 121.A OE1 no hydrogen 3.186 N/A GLN 119.A NE2 THR 244.A O no hydrogen 2.925 N/A SER 120.A OG SER 281.A O no hydrogen 3.444 N/A SER 120.A OG SER 281.A OG no hydrogen 2.656 N/A GLN 121.A N THR 118.A OG1 no hydrogen 3.150 N/A MET 122.A N THR 118.A O no hydrogen 2.940 N/A LEU 123.A N GLN 119.A O no hydrogen 2.968 N/A HIS 124.A N SER 120.A O no hydrogen 3.039 N/A ILE 125.A N GLN 121.A O no hydrogen 3.036 N/A ALA 126.A N MET 122.A O no hydrogen 2.951 N/A GLN 127.A N LEU 123.A O no hydrogen 2.957 N/A GLN 127.A NE2 HIS 124.A ND1 no hydrogen 3.125 N/A GLN 127.A NE2 HIS 124.A O no hydrogen 3.348 N/A GLN 128.A NE2 HIS 124.A O no hydrogen 3.106 N/A GLN 128.A NE2 LEU 157.A O no hydrogen 2.879 N/A ILE 129.A N ILE 125.A O no hydrogen 3.283 N/A ALA 130.A N ALA 126.A O no hydrogen 3.045 N/A ALA 131.A N GLN 127.A O no hydrogen 2.910 N/A GLY 132.A N GLN 128.A O no hydrogen 3.136 N/A MET 133.A N ILE 129.A O no hydrogen 3.005 N/A VAL 134.A N ALA 130.A O no hydrogen 2.983 N/A TYR 135.A N ALA 131.A O no hydrogen 3.206 N/A LEU 136.A N GLY 132.A O no hydrogen 3.104 N/A ALA 137.A N MET 133.A O no hydrogen 3.030 N/A SER 138.A N VAL 134.A O no hydrogen 3.070 N/A SER 138.A OG TYR 135.A O no hydrogen 2.622 N/A SER 138.A OG GLN 139.A OE1 no hydrogen 3.292 N/A GLN 139.A N TYR 135.A O no hydrogen 3.165 N/A GLN 139.A N LEU 136.A O no hydrogen 3.112 N/A HIS 140.A N ALA 137.A O no hydrogen 3.056 N/A PHE 141.A N LEU 136.A O no hydrogen 2.949 N/A HIS 143.A N ASP 202.A OD2 no hydrogen 2.758 N/A HIS 143.A NE2 GLY 162.A O no hydrogen 3.091 N/A ARG 144.A N ASP 202.A OD1 no hydrogen 3.145 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 2.809 N/A THR 148.A N GLU 212.A OE2 no hydrogen 3.083 N/A THR 148.A OG1 GLU 212.A OE1 no hydrogen 2.648 N/A ARG 149.A NE TYR 173.A OH no hydrogen 2.864 N/A ARG 149.A NH2 TYR 173.A OH no hydrogen 3.242 N/A ASN 150.A N ALA 147.A O no hydrogen 3.008 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 2.708 N/A CYS 151.A N THR 148.A O no hydrogen 3.135 N/A CYS 151.A SG ALA 147.A O no hydrogen 3.615 N/A LEU 152.A N LYS 160.A O no hydrogen 2.864 N/A VAL 153.A N GLY 94.A O no hydrogen 2.789 N/A GLY 154.A N LEU 158.A O no hydrogen 2.756 N/A LEU 158.A N GLU 155.A O no hydrogen 3.102 N/A VAL 159.A N GLN 128.A OE1 no hydrogen 2.884 N/A LYS 160.A N LEU 152.A O no hydrogen 2.994 N/A LYS 160.A NZ GLU 89.A OE1 no hydrogen 3.219 N/A LYS 160.A NZ GLU 89.A OE2 no hydrogen 2.727 N/A ILE 161.A N HIS 70.A O no hydrogen 2.857 N/A GLY 162.A N ASN 150.A O no hydrogen 3.093 N/A PHE 164.A N GLY 162.A O no hydrogen 2.864 N/A GLY 165.A N ASP 163.A OD2 no hydrogen 2.772 N/A MET 166.A N ASP 163.A O no hydrogen 3.243 N/A ARG 168.A NH1 ASN 150.A OD1 no hydrogen 2.912 N/A ARG 168.A NH2 ASN 150.A OD1 no hydrogen 3.504 N/A ASP 172.A N SER 170.A OG no hydrogen 3.351 N/A TYR 173.A N SER 170.A O no hydrogen 3.199 N/A TYR 173.A OH ASP 145.A OD2 no hydrogen 2.517 N/A TYR 174.A N LEU 182.A O no hydrogen 2.886 N/A TYR 174.A OH ASN 227.A OD1 no hydrogen 3.183 N/A VAL 176.A N TYR 174.A O no hydrogen 2.994 N/A VAL 176.A N THR 180.A O no hydrogen 2.924 N/A GLY 178.A N ARG 175.A O no hydrogen 3.019 N/A HIS 179.A N VAL 176.A O no hydrogen 3.092 N/A THR 180.A N VAL 176.A O no hydrogen 3.361 N/A LEU 182.A N TYR 174.A O no hydrogen 2.811 N/A ILE 184.A N LEU 182.A O no hydrogen 2.910 N/A ARG 185.A NH1 PRO 220.A O no hydrogen 3.161 N/A ARG 185.A NH1 TRP 221.A O no hydrogen 2.832 N/A ARG 185.A NH1 LEU 224.A O no hydrogen 3.429 N/A ARG 185.A NH2 LEU 224.A O no hydrogen 2.973 N/A ARG 185.A NH2 ASN 226.A OD1 no hydrogen 3.242 N/A TRP 186.A N PRO 183.A O no hydrogen 2.959 N/A TRP 186.A NE1 GLU 212.A OE2 no hydrogen 2.775 N/A MET 187.A N ILE 184.A O no hydrogen 3.016 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.830 N/A SER 191.A N PRO 188.A O no hydrogen 3.298 N/A SER 191.A OG LYS 196.A O no hydrogen 2.811 N/A ILE 192.A N PRO 188.A O no hydrogen 3.319 N/A MET 193.A N PRO 189.A O no hydrogen 2.973 N/A TYR 194.A N GLU 190.A O no hydrogen 3.011 N/A ARG 195.A NH1 ILE 192.A O no hydrogen 2.826 N/A LYS 196.A N GLU 190.A O no hydrogen 3.409 N/A THR 198.A N SER 201.A OG no hydrogen 2.705 N/A THR 198.A OG1 GLU 200.A OE1 no hydrogen 3.349 N/A SER 201.A N THR 198.A OG1 no hydrogen 3.191 N/A SER 201.A OG THR 198.A O no hydrogen 2.717 N/A ASP 202.A N THR 198.A O no hydrogen 3.109 N/A VAL 203.A N THR 199.A O no hydrogen 3.029 N/A TRP 204.A N GLU 200.A O no hydrogen 3.259 N/A SER 205.A N SER 201.A O no hydrogen 3.124 N/A SER 205.A OG TRP 186.A O no hydrogen 2.704 N/A SER 205.A OG SER 201.A O no hydrogen 3.261 N/A LEU 206.A N ASP 202.A O no hydrogen 2.816 N/A GLY 207.A N VAL 203.A O no hydrogen 3.088 N/A VAL 208.A N TRP 204.A O no hydrogen 3.166 N/A VAL 209.A N SER 205.A O no hydrogen 2.891 N/A LEU 210.A N LEU 206.A O no hydrogen 2.892 N/A TRP 211.A N GLY 207.A O no hydrogen 3.109 N/A TRP 211.A NE1 GLN 240.A O no hydrogen 2.844 N/A GLU 212.A N VAL 208.A O no hydrogen 2.853 N/A ILE 213.A N VAL 209.A O no hydrogen 2.903 N/A PHE 214.A N LEU 210.A O no hydrogen 3.066 N/A THR 215.A N GLU 212.A O no hydrogen 3.395 N/A THR 215.A OG1 TRP 211.A O no hydrogen 2.946 N/A THR 215.A OG1 GLU 212.A O no hydrogen 3.189 N/A TYR 216.A N ILE 213.A O no hydrogen 3.160 N/A TYR 216.A OH GLU 116.A OE2 no hydrogen 3.315 N/A GLY 217.A N GLU 212.A O no hydrogen 2.764 N/A LYS 218.A NZ THR 215.A O no hydrogen 2.816 N/A GLN 219.A NE2 ASP 172.A OD1 no hydrogen 2.943 N/A TRP 221.A NE1 ARG 185.A O no hydrogen 3.261 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.910 N/A GLN 223.A NE2 GLN 240.A OE1 no hydrogen 3.431 N/A LEU 224.A N TRP 221.A O no hydrogen 2.807 N/A SER 225.A N GLU 228.A OE1 no hydrogen 2.982 N/A VAL 229.A N SER 225.A O no hydrogen 2.967 N/A ILE 230.A N ASN 226.A O no hydrogen 3.207 N/A GLU 231.A N ASN 227.A O no hydrogen 3.133 N/A CYS 232.A N GLU 228.A O no hydrogen 2.930 N/A CYS 232.A SG GLU 228.A O no hydrogen 3.418 N/A ILE 233.A N VAL 229.A O no hydrogen 3.051 N/A THR 234.A N ILE 230.A O no hydrogen 2.979 N/A THR 234.A OG1 ILE 230.A O no hydrogen 2.830 N/A THR 234.A OG1 GLU 231.A O no hydrogen 3.323 N/A GLN 235.A N GLU 231.A O no hydrogen 2.970 N/A GLN 235.A NE2 GLU 231.A OE2 no hydrogen 2.773 N/A GLY 236.A N CYS 232.A O no hydrogen 3.204 N/A ARG 237.A N CYS 232.A O no hydrogen 2.869 N/A ARG 241.A NE CYS 245.A O no hydrogen 2.820 N/A ARG 241.A NH2 CYS 245.A O no hydrogen 2.897 N/A CYS 245.A N PRO 242.A O no hydrogen 3.092 N/A CYS 245.A SG PRO 246.A O no hydrogen 3.391 N/A GLN 247.A NE2 GLU 251.A OE2 no hydrogen 2.739 N/A VAL 249.A N PRO 246.A O no hydrogen 2.970 N/A TYR 250.A N PRO 246.A O no hydrogen 3.061 N/A TYR 250.A OH LEU 239.A O no hydrogen 2.676 N/A GLU 251.A N GLN 247.A O no hydrogen 2.907 N/A LEU 252.A N GLU 248.A O no hydrogen 3.227 N/A MET 253.A N VAL 249.A O no hydrogen 3.026 N/A LEU 254.A N TYR 250.A O no hydrogen 2.919 N/A GLY 255.A N GLU 251.A O no hydrogen 3.061 N/A CYS 256.A N LEU 252.A O no hydrogen 3.107 N/A CYS 256.A N MET 253.A O no hydrogen 2.976 N/A CYS 256.A SG LEU 252.A O no hydrogen 3.424 N/A TRP 257.A N MET 253.A O no hydrogen 2.969 N/A TRP 257.A N LEU 254.A O no hydrogen 3.170 N/A GLN 258.A NE2 LEU 254.A O no hydrogen 2.920 N/A ARG 259.A NE THR 234.A O no hydrogen 2.834 N/A ARG 259.A NH1 GLU 260.A OE2 no hydrogen 3.464 N/A ARG 259.A NH2 THR 234.A O no hydrogen 2.779 N/A MET 263.A N GLU 260.A O no hydrogen 3.100 N/A ARG 264.A N PRO 261.A O no hydrogen 3.304 N/A ARG 264.A NE GLN 258.A O no hydrogen 2.773 N/A ARG 264.A NH1 GLU 190.A OE2 no hydrogen 2.838 N/A ARG 264.A NH1 GLU 200.A O no hydrogen 3.128 N/A ARG 264.A NH2 GLU 190.A OE1 no hydrogen 2.767 N/A ARG 264.A NH2 GLU 190.A OE2 no hydrogen 3.458 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 3.289 N/A ARG 264.A NH2 ARG 259.A O no hydrogen 3.112 N/A LYS 265.A N GLY 255.A O no hydrogen 3.031 N/A LYS 265.A NZ GLU 251.A O no hydrogen 3.327 N/A ILE 270.A N ASN 266.A O no hydrogen 3.087 N/A HIS 271.A N ILE 267.A O no hydrogen 3.019 N/A THR 272.A N LYS 268.A O no hydrogen 2.997 N/A THR 272.A OG1 LYS 268.A O no hydrogen 2.884 N/A LEU 273.A N GLY 269.A O no hydrogen 3.113 N/A LEU 274.A N ILE 270.A O no hydrogen 3.046 N/A GLN 275.A N HIS 271.A O no hydrogen 2.815 N/A ASN 276.A N THR 272.A O no hydrogen 3.114 N/A LEU 277.A N LEU 273.A O no hydrogen 3.032 N/A ALA 278.A N LEU 274.A O no hydrogen 2.899 N/A LYS 279.A N GLN 275.A O no hydrogen 2.986 N/A ALA 280.A N ASN 276.A O no hydrogen 3.085 N/A SER 281.A N LEU 277.A O no hydrogen 3.067 N/A SER 281.A OG SER 120.A OG no hydrogen 2.656 N/A LEU 288.A N THR 115.A OG1 no hydrogen 3.030 N/A