Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pyf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N VAL 42.A O no hydrogen 2.982 N/A VAL 4.A N VAL 40.A O no hydrogen 2.774 N/A ARG 5.A N ARG 294.A O no hydrogen 2.915 N/A ARG 5.A NH1 GLU 39.A OE2 no hydrogen 2.839 N/A VAL 6.A N ASP 38.A O no hydrogen 2.914 N/A GLY 8.A N LEU 36.A O no hydrogen 2.904 N/A LYS 9.A N MET 99.A O no hydrogen 3.084 N/A LYS 9.A NZ ASN 11.A OD1 no hydrogen 2.778 N/A VAL 10.A N HIS 32.A O no hydrogen 2.894 N/A ASN 11.A N SER 251.A OG no hydrogen 2.888 N/A LEU 12.A N VAL 30.A O no hydrogen 2.870 N/A TYR 13.A OH GLY 197.A O no hydrogen 2.727 N/A LEU 14.A N GLY 219.A O no hydrogen 3.063 N/A ALA 15.A N THR 28.A O no hydrogen 2.966 N/A VAL 16.A N GLU 221.A OE1 no hydrogen 2.700 N/A GLY 17.A N GLU 26.A O no hydrogen 2.748 N/A ARG 20.A N TYR 24.A O no hydrogen 2.995 N/A GLY 23.A N ARG 20.A O no hydrogen 3.293 N/A HIS 25.A ND1 GLY 17.A O no hydrogen 3.138 N/A THR 28.A N ALA 15.A O no hydrogen 3.047 N/A THR 29.A N GLY 148.A O no hydrogen 2.849 N/A VAL 30.A N TYR 13.A O no hydrogen 2.837 N/A PHE 31.A N ALA 146.A O no hydrogen 2.864 N/A HIS 32.A N VAL 10.A O no hydrogen 2.838 N/A ALA 33.A N GLY 144.A O no hydrogen 2.808 N/A VAL 34.A N GLY 8.A O no hydrogen 3.134 N/A SER 35.A N THR 287.A O no hydrogen 2.934 N/A ASP 38.A N VAL 6.A O no hydrogen 2.922 N/A GLU 39.A N ASP 90.A O no hydrogen 2.982 N/A VAL 40.A N VAL 4.A O no hydrogen 2.776 N/A THR 41.A N MET 88.A O no hydrogen 2.873 N/A VAL 42.A N VAL 2.A O no hydrogen 2.826 N/A ARG 43.A N SER 86.A O no hydrogen 2.978 N/A ALA 45.A N ASP 84.A O no hydrogen 2.897 N/A SER 49.A N VAL 85.A O no hydrogen 3.143 N/A GLU 51.A N ILE 87.A O no hydrogen 2.963 N/A VAL 53.A N ILE 89.A O no hydrogen 2.827 N/A ALA 57.A N GLY 54.A O no hydrogen 3.005 N/A GLN 59.A N GLY 56.A O no hydrogen 2.890 N/A LEU 60.A N ALA 57.A O no hydrogen 3.000 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.912 N/A ARG 65.A N ASP 63.A OD2 no hydrogen 3.006 N/A ARG 65.A NE ASP 63.A OD1 no hydrogen 3.308 N/A ARG 65.A NE ASP 63.A OD2 no hydrogen 3.061 N/A ARG 65.A NH2 ASP 63.A OD1 no hydrogen 3.343 N/A ASN 66.A N ASP 63.A O no hydrogen 2.846 N/A TRP 69.A NE1 GLU 73.A OE1 no hydrogen 3.102 N/A GLN 70.A N ASN 66.A O no hydrogen 3.132 N/A GLN 70.A NE2 GLU 64.A O no hydrogen 2.976 N/A ALA 71.A N LEU 67.A O no hydrogen 2.831 N/A ALA 72.A N ALA 68.A O no hydrogen 3.079 N/A GLU 73.A N TRP 69.A O no hydrogen 3.044 N/A LEU 74.A N GLN 70.A O no hydrogen 2.867 N/A MET 75.A N ALA 71.A O no hydrogen 2.913 N/A ALA 76.A N ALA 72.A O no hydrogen 3.064 N/A GLU 77.A N GLU 73.A O no hydrogen 2.916 N/A HIS 78.A N LEU 74.A O no hydrogen 3.015 N/A VAL 79.A N ALA 76.A O no hydrogen 3.041 N/A GLY 80.A N GLU 77.A O no hydrogen 3.068 N/A ARG 81.A N ALA 76.A O no hydrogen 2.828 N/A ASP 84.A N ALA 82.A O no hydrogen 2.767 N/A VAL 85.A N PRO 83.A O no hydrogen 2.875 N/A SER 86.A N ARG 43.A O no hydrogen 3.008 N/A ILE 87.A N SER 49.A O no hydrogen 2.996 N/A MET 88.A N THR 41.A O no hydrogen 2.886 N/A ILE 89.A N GLU 51.A O no hydrogen 2.870 N/A ASP 90.A N GLU 39.A O no hydrogen 2.796 N/A LYS 91.A N VAL 53.A O no hydrogen 2.752 N/A LYS 91.A NZ ASP 38.A OD2 no hydrogen 2.678 N/A LYS 91.A NZ ASP 105.A OD1 no hydrogen 3.091 N/A SER 92.A N ASP 38.A OD1 no hydrogen 2.890 N/A ILE 93.A N ASP 38.A OD1 no hydrogen 2.947 N/A GLY 97.A N PRO 94.A O no hydrogen 3.338 N/A ALA 104.A N ALA 100.A O no hydrogen 2.950 N/A ASP 105.A N GLY 101.A O no hydrogen 2.929 N/A ALA 106.A N GLY 102.A O no hydrogen 2.935 N/A ALA 107.A N SER 103.A O no hydrogen 2.999 N/A ALA 108.A N ALA 104.A O no hydrogen 2.927 N/A VAL 109.A N ASP 105.A O no hydrogen 3.022 N/A LEU 110.A N ALA 106.A O no hydrogen 3.129 N/A VAL 111.A N ALA 107.A O no hydrogen 3.151 N/A ALA 112.A N ALA 108.A O no hydrogen 2.751 N/A MET 113.A N VAL 109.A O no hydrogen 2.894 N/A ASN 114.A N LEU 110.A O no hydrogen 2.966 N/A ASN 114.A ND2 VAL 121.A O no hydrogen 3.061 N/A SER 115.A N VAL 111.A O no hydrogen 3.140 N/A LEU 116.A N ALA 112.A O no hydrogen 2.692 N/A TRP 117.A N MET 113.A O no hydrogen 2.971 N/A TRP 117.A NE1 ASN 44.A OD1 no hydrogen 3.083 N/A GLU 118.A N SER 115.A O no hydrogen 3.103 N/A LEU 119.A N ASN 114.A O no hydrogen 2.929 N/A ASN 120.A N ASN 114.A O no hydrogen 3.403 N/A VAL 121.A N ASN 114.A OD1 no hydrogen 2.893 N/A ASP 125.A N PRO 122.A O no hydrogen 2.828 N/A LEU 126.A N PRO 122.A O no hydrogen 3.261 N/A ARG 127.A N ARG 123.A O no hydrogen 2.935 N/A MET 128.A N ARG 124.A O no hydrogen 3.105 N/A LEU 129.A N ASP 125.A O no hydrogen 3.128 N/A ALA 130.A N LEU 126.A O no hydrogen 2.744 N/A ALA 131.A N ARG 127.A O no hydrogen 2.991 N/A ARG 132.A N MET 128.A O no hydrogen 3.266 N/A LEU 133.A N LEU 129.A O no hydrogen 3.134 N/A GLY 134.A N ALA 130.A O no hydrogen 3.137 N/A VAL 137.A N GLY 134.A O no hydrogen 3.114 N/A ALA 140.A N ASP 136.A O no hydrogen 3.245 N/A LEU 141.A N VAL 137.A O no hydrogen 3.159 N/A HIS 142.A N PRO 138.A O no hydrogen 3.018 N/A HIS 142.A ND1 GLY 143.A O no hydrogen 2.668 N/A HIS 142.A NE2 THR 157.A OG1 no hydrogen 2.734 N/A GLY 143.A N PHE 139.A O no hydrogen 2.825 N/A GLY 144.A N VAL 290.A O no hydrogen 2.842 N/A ALA 146.A N PHE 31.A O no hydrogen 2.928 N/A LEU 147.A N ALA 156.A O no hydrogen 2.887 N/A GLY 148.A N THR 29.A O no hydrogen 2.784 N/A GLY 152.A N GLU 153.A OE2 no hydrogen 3.455 N/A ALA 156.A N LEU 147.A O no hydrogen 2.975 N/A THR 157.A OG1 HIS 142.A NE2 no hydrogen 2.734 N/A VAL 158.A N THR 145.A O no hydrogen 2.920 N/A SER 160.A OG LEU 206.A O no hydrogen 2.883 N/A ARG 161.A N ALA 207.A O no hydrogen 2.944 N/A ASN 162.A ND2 GLY 209.A O no hydrogen 2.990 N/A PHE 164.A N GLY 288.A O no hydrogen 2.750 N/A TRP 166.A N ALA 286.A O no hydrogen 2.845 N/A VAL 167.A N PHE 259.A O no hydrogen 2.860 N/A LEU 168.A N ARG 284.A O no hydrogen 2.710 N/A ALA 169.A N CYS 257.A O no hydrogen 2.878 N/A PHE 170.A N THR 282.A O no hydrogen 2.900 N/A ALA 171.A N PRO 255.A O no hydrogen 3.320 N/A ASP 172.A N ASP 172.A OD1 no hydrogen 2.171 N/A VAL 180.A N LEU 176.A O no hydrogen 3.210 N/A TYR 181.A N THR 177.A O no hydrogen 2.984 N/A ASN 182.A N SER 178.A O no hydrogen 3.139 N/A GLU 183.A N ALA 179.A O no hydrogen 3.076 N/A LEU 184.A N VAL 180.A O no hydrogen 2.843 N/A ASP 185.A N TYR 181.A O no hydrogen 2.890 N/A ARG 186.A N ASN 182.A O no hydrogen 2.904 N/A ARG 186.A NH1 GLU 183.A OE1 no hydrogen 2.726 N/A LEU 187.A N GLU 183.A O no hydrogen 2.890 N/A ARG 188.A N LEU 184.A O no hydrogen 3.134 N/A ARG 188.A N ASP 185.A O no hydrogen 3.140 N/A ARG 188.A NH1 VAL 16.A O no hydrogen 3.121 N/A ARG 188.A NH2 VAL 16.A O no hydrogen 3.149 N/A GLU 189.A N ASP 185.A O no hydrogen 3.070 N/A GLU 189.A N ARG 186.A O no hydrogen 3.100 N/A VAL 190.A N ARG 186.A O no hydrogen 3.113 N/A ARG 195.A NH1 ASP 18.A OD1 no hydrogen 3.059 N/A ARG 195.A NH2 ASP 18.A OD1 no hydrogen 2.750 N/A LEU 196.A N GLU 221.A OE2 no hydrogen 2.865 N/A LEU 203.A N PRO 199.A O no hydrogen 3.059 N/A ALA 204.A N GLY 200.A O no hydrogen 2.878 N/A ALA 205.A N PRO 201.A O no hydrogen 3.077 N/A LEU 206.A N VAL 202.A O no hydrogen 2.969 N/A ALA 207.A N LEU 203.A O no hydrogen 2.802 N/A ALA 208.A N ALA 204.A O no hydrogen 2.941 N/A GLY 209.A N LEU 206.A O no hydrogen 2.980 N/A ASP 210.A N ALA 205.A O no hydrogen 3.285 N/A GLN 213.A N ASP 210.A O no hydrogen 3.144 N/A GLN 213.A N ASP 210.A OD1 no hydrogen 3.254 N/A LEU 214.A N ASP 210.A O no hydrogen 2.980 N/A ALA 215.A N PRO 211.A O no hydrogen 2.921 N/A LEU 217.A N LEU 214.A O no hydrogen 2.894 N/A LEU 218.A N LEU 214.A O no hydrogen 3.227 N/A LEU 218.A N ALA 215.A O no hydrogen 3.344 N/A GLY 219.A N LEU 12.A O no hydrogen 2.959 N/A ASN 220.A ND2 VAL 250.A O no hydrogen 2.760 N/A ASN 220.A ND2 GLY 252.A O no hydrogen 2.805 N/A GLU 221.A N LEU 14.A O no hydrogen 2.884 N/A MET 222.A N ASN 220.A OD1 no hydrogen 2.890 N/A GLN 223.A N ASN 220.A O no hydrogen 3.009 N/A ALA 226.A N MET 222.A O no hydrogen 2.841 N/A VAL 227.A N GLN 223.A O no hydrogen 2.901 N/A SER 228.A N ALA 224.A O no hydrogen 2.912 N/A SER 228.A OG GLU 183.A OE1 no hydrogen 2.367 N/A LEU 229.A N ALA 225.A O no hydrogen 3.179 N/A ASP 230.A N ALA 226.A O no hydrogen 2.737 N/A ALA 232.A N ASP 230.A OD1 no hydrogen 3.229 N/A LEU 233.A N ASP 230.A O no hydrogen 2.932 N/A ALA 236.A N ALA 232.A O no hydrogen 2.980 N/A LEU 237.A N LEU 233.A O no hydrogen 2.892 N/A ARG 238.A N ALA 234.A O no hydrogen 3.160 N/A ALA 239.A N ARG 235.A O no hydrogen 2.904 N/A GLY 240.A N ALA 236.A O no hydrogen 3.054 N/A VAL 241.A N LEU 237.A O no hydrogen 3.375 N/A GLU 242.A N ARG 238.A O no hydrogen 2.821 N/A ALA 243.A N ALA 239.A O no hydrogen 2.830 N/A GLY 244.A N VAL 241.A O no hydrogen 2.941 N/A ALA 245.A N GLY 240.A O no hydrogen 3.065 N/A LEU 246.A N LEU 260.A O no hydrogen 2.844 N/A ILE 249.A N ALA 258.A O no hydrogen 2.994 N/A SER 251.A N THR 256.A O no hydrogen 2.827 N/A GLY 254.A N SER 251.A O no hydrogen 2.998 N/A THR 256.A OG1 GLY 97.A O no hydrogen 2.365 N/A CYS 257.A N ALA 169.A O no hydrogen 2.770 N/A ALA 258.A N ILE 249.A O no hydrogen 2.793 N/A PHE 259.A N VAL 167.A O no hydrogen 2.751 N/A LEU 260.A N ALA 247.A O no hydrogen 2.939 N/A CYS 261.A N HIS 165.A O no hydrogen 2.822 N/A CYS 261.A SG PHE 259.A O no hydrogen 3.923 N/A SER 266.A N SER 263.A OG no hydrogen 2.974 N/A ALA 267.A N SER 263.A O no hydrogen 2.941 N/A ILE 268.A N ALA 264.A O no hydrogen 2.994 N/A ASP 269.A N SER 265.A O no hydrogen 3.150 N/A VAL 270.A N SER 266.A O no hydrogen 2.719 N/A GLY 271.A N ALA 267.A O no hydrogen 2.812 N/A ALA 272.A N ILE 268.A O no hydrogen 2.941 N/A GLN 273.A N ASP 269.A O no hydrogen 3.035 N/A LEU 274.A N VAL 270.A O no hydrogen 2.943 N/A SER 275.A N GLY 271.A O no hydrogen 2.939 N/A GLY 276.A N ALA 272.A O no hydrogen 2.944 N/A ALA 277.A N GLN 273.A O no hydrogen 3.089 N/A GLY 278.A N SER 275.A O no hydrogen 3.384 N/A ARG 281.A N PHE 170.A O no hydrogen 2.900 N/A THR 282.A N PHE 170.A O no hydrogen 3.267 N/A ARG 284.A N LEU 168.A O no hydrogen 2.826 N/A ARG 284.A NH1 SER 92.A O no hydrogen 3.235 N/A ALA 286.A N TRP 166.A O no hydrogen 2.945 N/A THR 287.A N SER 35.A OG no hydrogen 2.831 N/A GLY 288.A N PHE 164.A O no hydrogen 3.001 N/A VAL 290.A N ALA 33.A O no hydrogen 3.121 N/A ALA 293.A N ALA 140.A O no hydrogen 2.969 N/A ARG 294.A N ARG 5.A O no hydrogen 3.028 N/A VAL 296.A N THR 3.A O no hydrogen 2.821 N/A