Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pyg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 43.A O no hydrogen 3.072 N/A THR 4.A N SER 298.A OG no hydrogen 2.871 N/A VAL 5.A N VAL 41.A O no hydrogen 2.773 N/A ARG 6.A N ARG 295.A O no hydrogen 2.885 N/A VAL 7.A N ASP 39.A O no hydrogen 3.015 N/A GLY 9.A N LEU 37.A O no hydrogen 2.791 N/A LYS 10.A N MET 100.A O no hydrogen 3.001 N/A LYS 10.A NZ ASN 12.A OD1 no hydrogen 3.354 N/A VAL 11.A N HIS 33.A O no hydrogen 2.763 N/A ASN 12.A N SER 252.A OG no hydrogen 2.913 N/A LEU 13.A N VAL 31.A O no hydrogen 2.881 N/A TYR 14.A OH GLY 198.A O no hydrogen 2.462 N/A LEU 15.A N GLY 220.A O no hydrogen 3.089 N/A ALA 16.A N THR 29.A O no hydrogen 2.869 N/A VAL 17.A N GLU 222.A OE1 no hydrogen 2.624 N/A GLY 18.A N GLU 27.A O no hydrogen 2.733 N/A ARG 20.A NH1 GLU 22.A OE1 no hydrogen 3.216 N/A ARG 21.A N TYR 25.A O no hydrogen 3.156 N/A GLY 24.A N ARG 21.A O no hydrogen 2.588 N/A HIS 26.A ND1 GLY 18.A O no hydrogen 3.192 N/A THR 29.A N ALA 16.A O no hydrogen 3.026 N/A THR 30.A N GLY 149.A O no hydrogen 2.783 N/A THR 30.A OG1 ASN 12.A OD1 no hydrogen 3.185 N/A VAL 31.A N TYR 14.A O no hydrogen 3.045 N/A PHE 32.A N ALA 147.A O no hydrogen 2.911 N/A HIS 33.A N VAL 11.A O no hydrogen 2.791 N/A ALA 34.A N GLY 145.A O no hydrogen 2.992 N/A VAL 35.A N GLY 9.A O no hydrogen 3.087 N/A SER 36.A N THR 288.A O no hydrogen 2.906 N/A SER 36.A OG THR 288.A O no hydrogen 3.556 N/A ASP 39.A N VAL 7.A O no hydrogen 2.836 N/A GLU 40.A N ASP 91.A O no hydrogen 2.937 N/A VAL 41.A N VAL 5.A O no hydrogen 2.858 N/A THR 42.A N MET 89.A O no hydrogen 2.857 N/A VAL 43.A N VAL 3.A O no hydrogen 2.926 N/A ARG 44.A N SER 87.A O no hydrogen 2.977 N/A ALA 46.A N ASP 85.A O no hydrogen 3.016 N/A SER 50.A N VAL 86.A O no hydrogen 2.943 N/A GLU 52.A N ILE 88.A O no hydrogen 2.815 N/A VAL 54.A N ILE 90.A O no hydrogen 2.802 N/A ALA 58.A N GLY 55.A O no hydrogen 2.870 N/A GLN 60.A N GLY 57.A O no hydrogen 2.986 N/A LEU 61.A N ALA 58.A O no hydrogen 3.112 N/A GLU 65.A N GLU 65.A OE2 no hydrogen 2.580 N/A ARG 66.A N ASP 64.A OD2 no hydrogen 3.208 N/A ARG 66.A NE ASP 64.A OD2 no hydrogen 3.337 N/A ARG 66.A NH2 ASP 64.A OD1 no hydrogen 3.468 N/A ASN 67.A N ASP 64.A O no hydrogen 2.996 N/A TRP 70.A N ASN 67.A O no hydrogen 2.684 N/A TRP 70.A NE1 GLU 74.A OE1 no hydrogen 3.114 N/A GLN 71.A N ASN 67.A O no hydrogen 3.226 N/A GLN 71.A NE2 GLU 65.A O no hydrogen 3.294 N/A ALA 72.A N LEU 68.A O no hydrogen 2.877 N/A ALA 73.A N ALA 69.A O no hydrogen 3.168 N/A GLU 74.A N TRP 70.A O no hydrogen 3.193 N/A LEU 75.A N GLN 71.A O no hydrogen 2.843 N/A MET 76.A N ALA 72.A O no hydrogen 2.816 N/A ALA 77.A N ALA 73.A O no hydrogen 2.939 N/A GLU 78.A N GLU 74.A O no hydrogen 2.855 N/A HIS 79.A N LEU 75.A O no hydrogen 2.894 N/A HIS 79.A NE2 ASP 126.A OD2 no hydrogen 2.500 N/A VAL 80.A N ALA 77.A O no hydrogen 3.099 N/A GLY 81.A N GLU 78.A O no hydrogen 2.897 N/A ARG 82.A N ALA 77.A O no hydrogen 2.863 N/A VAL 86.A N PRO 84.A O no hydrogen 2.667 N/A SER 87.A N ARG 44.A O no hydrogen 2.815 N/A ILE 88.A N SER 50.A O no hydrogen 2.799 N/A MET 89.A N THR 42.A O no hydrogen 2.754 N/A ILE 90.A N GLU 52.A O no hydrogen 2.719 N/A ASP 91.A N GLU 40.A O no hydrogen 2.824 N/A LYS 92.A N VAL 54.A O no hydrogen 2.857 N/A LYS 92.A NZ ASP 39.A OD2 no hydrogen 2.588 N/A LYS 92.A NZ ASP 106.A OD1 no hydrogen 2.842 N/A SER 93.A N ASP 39.A OD1 no hydrogen 2.837 N/A ILE 94.A N ASP 39.A OD1 no hydrogen 2.975 N/A GLY 98.A N PRO 95.A O no hydrogen 3.192 N/A ALA 105.A N ALA 101.A O no hydrogen 2.935 N/A ASP 106.A N GLY 102.A O no hydrogen 2.970 N/A ALA 107.A N GLY 103.A O no hydrogen 2.962 N/A ALA 108.A N SER 104.A O no hydrogen 3.058 N/A ALA 109.A N ALA 105.A O no hydrogen 2.947 N/A VAL 110.A N ASP 106.A O no hydrogen 2.981 N/A VAL 110.A N ALA 107.A O no hydrogen 3.149 N/A LEU 111.A N ALA 107.A O no hydrogen 3.222 N/A VAL 112.A N ALA 108.A O no hydrogen 3.135 N/A ALA 113.A N ALA 109.A O no hydrogen 2.818 N/A MET 114.A N VAL 110.A O no hydrogen 2.877 N/A ASN 115.A N LEU 111.A O no hydrogen 3.059 N/A ASN 115.A ND2 VAL 122.A O no hydrogen 2.789 N/A SER 116.A N VAL 112.A O no hydrogen 3.077 N/A LEU 117.A N ALA 113.A O no hydrogen 2.819 N/A TRP 118.A N MET 114.A O no hydrogen 2.850 N/A TRP 118.A NE1 ASN 45.A OD1 no hydrogen 3.149 N/A GLU 119.A N SER 116.A O no hydrogen 3.142 N/A LEU 120.A N ASN 115.A O no hydrogen 2.931 N/A ASN 121.A ND2.A LEU 120.A O no hydrogen 2.571 N/A VAL 122.A N ASN 115.A OD1 no hydrogen 2.654 N/A LEU 127.A N PRO 123.A O no hydrogen 3.157 N/A ARG 128.A N ARG 124.A O no hydrogen 2.792 N/A MET 129.A N ARG 125.A O no hydrogen 3.130 N/A LEU 130.A N ASP 126.A O no hydrogen 2.838 N/A ALA 131.A N LEU 127.A O no hydrogen 2.672 N/A ALA 132.A N ARG 128.A O no hydrogen 2.989 N/A ARG 133.A N MET 129.A O no hydrogen 3.202 N/A ARG 133.A N LEU 130.A O no hydrogen 3.004 N/A LEU 134.A N LEU 130.A O no hydrogen 2.974 N/A GLY 135.A N ALA 131.A O no hydrogen 3.175 N/A VAL 138.A N GLY 135.A O no hydrogen 3.100 N/A ALA 141.A N ASP 137.A O no hydrogen 3.127 N/A LEU 142.A N VAL 138.A O no hydrogen 3.009 N/A HIS 143.A N PRO 139.A O no hydrogen 3.005 N/A HIS 143.A ND1 GLY 144.A O no hydrogen 2.782 N/A HIS 143.A NE2 THR 158.A OG1 no hydrogen 2.706 N/A GLY 144.A N PHE 140.A O no hydrogen 2.691 N/A GLY 145.A N VAL 291.A O no hydrogen 2.806 N/A ALA 147.A N PHE 32.A O no hydrogen 3.096 N/A LEU 148.A N ALA 157.A O no hydrogen 2.829 N/A GLY 149.A N THR 30.A O no hydrogen 2.740 N/A ALA 157.A N LEU 148.A O no hydrogen 3.000 N/A THR 158.A OG1 HIS 143.A NE2 no hydrogen 2.706 N/A VAL 159.A N THR 146.A O no hydrogen 2.848 N/A SER 161.A OG LEU 207.A O no hydrogen 2.641 N/A ARG 162.A N ALA 208.A O no hydrogen 3.097 N/A ASN 163.A ND2 GLY 210.A O no hydrogen 2.758 N/A PHE 165.A N GLY 289.A O no hydrogen 2.626 N/A TRP 167.A N ALA 287.A O no hydrogen 2.779 N/A VAL 168.A N PHE 260.A O no hydrogen 2.961 N/A LEU 169.A N ARG 285.A O no hydrogen 2.875 N/A ALA 170.A N CYS 258.A O no hydrogen 2.850 N/A PHE 171.A N THR 283.A O no hydrogen 2.817 N/A SER 174.A N ASP 173.A OD1 no hydrogen 3.093 N/A VAL 181.A N LEU 177.A O no hydrogen 2.959 N/A TYR 182.A N THR 178.A O no hydrogen 2.982 N/A ASN 183.A N SER 179.A O no hydrogen 2.986 N/A GLU 184.A N ALA 180.A O no hydrogen 3.069 N/A LEU 185.A N VAL 181.A O no hydrogen 2.829 N/A ASP 186.A N TYR 182.A O no hydrogen 2.850 N/A ARG 187.A N ASN 183.A O no hydrogen 2.985 N/A ARG 187.A NH1 GLU 184.A OE2 no hydrogen 3.102 N/A LEU 188.A N GLU 184.A O no hydrogen 2.853 N/A ARG 189.A N LEU 185.A O no hydrogen 2.989 N/A ARG 189.A NH1 VAL 17.A O no hydrogen 2.952 N/A ARG 189.A NH1 GLY 18.A O no hydrogen 3.336 N/A ARG 189.A NH2 VAL 17.A O no hydrogen 2.658 N/A GLU 190.A N ASP 186.A O no hydrogen 2.914 N/A GLU 190.A N ARG 187.A O no hydrogen 2.958 N/A VAL 191.A N ARG 187.A O no hydrogen 3.160 N/A ARG 196.A NH2 ASP 19.A OD1 no hydrogen 2.900 N/A LEU 197.A N GLU 222.A OE2 no hydrogen 2.983 N/A LEU 204.A N PRO 200.A O no hydrogen 2.905 N/A ALA 205.A N GLY 201.A O no hydrogen 2.959 N/A ALA 206.A N PRO 202.A O no hydrogen 2.915 N/A LEU 207.A N VAL 203.A O no hydrogen 2.904 N/A ALA 208.A N LEU 204.A O no hydrogen 2.796 N/A ALA 209.A N ALA 205.A O no hydrogen 3.005 N/A GLY 210.A N LEU 207.A O no hydrogen 3.196 N/A ASP 211.A N ALA 206.A O no hydrogen 3.327 N/A GLN 214.A N ASP 211.A OD1 no hydrogen 3.179 N/A LEU 215.A N ASP 211.A O no hydrogen 2.866 N/A ALA 216.A N PRO 212.A O no hydrogen 2.862 N/A LEU 218.A N LEU 215.A O no hydrogen 2.918 N/A LEU 219.A N ALA 216.A O no hydrogen 3.233 N/A GLY 220.A N LEU 13.A O no hydrogen 3.042 N/A ASN 221.A ND2 VAL 251.A O no hydrogen 2.658 N/A ASN 221.A ND2 GLY 253.A O no hydrogen 2.696 N/A GLU 222.A N LEU 15.A O no hydrogen 2.882 N/A MET 223.A N ASN 221.A OD1 no hydrogen 2.826 N/A GLN 224.A N ASN 221.A O no hydrogen 2.916 N/A ALA 227.A N MET 223.A O no hydrogen 3.069 N/A VAL 228.A N GLN 224.A O no hydrogen 2.893 N/A SER 229.A N ALA 225.A O no hydrogen 2.885 N/A SER 229.A OG GLU 184.A OE1 no hydrogen 2.409 N/A LEU 230.A N ALA 226.A O no hydrogen 3.051 N/A ASP 231.A N ALA 227.A O no hydrogen 2.802 N/A LEU 234.A N ASP 231.A O no hydrogen 2.838 N/A ALA 235.A N PRO 232.A O no hydrogen 3.253 N/A ALA 237.A N ALA 233.A O no hydrogen 3.118 N/A LEU 238.A N LEU 234.A O no hydrogen 2.843 N/A ARG 239.A N ALA 235.A O no hydrogen 3.208 N/A ALA 240.A N ARG 236.A O no hydrogen 2.793 N/A GLY 241.A N ALA 237.A O no hydrogen 3.068 N/A VAL 242.A N LEU 238.A O no hydrogen 3.422 N/A GLU 243.A N ARG 239.A O no hydrogen 2.800 N/A ALA 244.A N ALA 240.A O no hydrogen 2.810 N/A GLY 245.A N VAL 242.A O no hydrogen 2.875 N/A ALA 246.A N GLY 241.A O no hydrogen 3.137 N/A LEU 247.A N LEU 261.A O no hydrogen 2.806 N/A ILE 250.A N ALA 259.A O no hydrogen 2.959 N/A SER 252.A N THR 257.A O no hydrogen 2.881 N/A SER 254.A OG GLY 255.A O no hydrogen 3.342 N/A GLY 255.A N SER 252.A O no hydrogen 3.091 N/A THR 257.A OG1 GLY 98.A O no hydrogen 2.455 N/A CYS 258.A N ALA 170.A O no hydrogen 2.867 N/A CYS 258.A SG PRO 256.A O no hydrogen 3.300 N/A ALA 259.A N ILE 250.A O no hydrogen 2.819 N/A PHE 260.A N VAL 168.A O no hydrogen 2.855 N/A LEU 261.A N ALA 248.A O no hydrogen 3.100 N/A CYS 262.A N HIS 166.A O no hydrogen 2.960 N/A CYS 262.A SG PHE 260.A O no hydrogen 3.924 N/A SER 267.A N SER 264.A OG no hydrogen 2.944 N/A ALA 268.A N SER 264.A O no hydrogen 2.854 N/A ILE 269.A N ALA 265.A O no hydrogen 3.015 N/A ASP 270.A N SER 266.A O no hydrogen 3.060 N/A VAL 271.A N SER 267.A O no hydrogen 2.803 N/A GLY 272.A N ALA 268.A O no hydrogen 2.826 N/A ALA 273.A N ILE 269.A O no hydrogen 2.870 N/A GLN 274.A N ASP 270.A O no hydrogen 2.971 N/A LEU 275.A N VAL 271.A O no hydrogen 2.827 N/A SER 276.A N GLY 272.A O no hydrogen 2.791 N/A GLY 277.A N ALA 273.A O no hydrogen 3.064 N/A ALA 278.A N GLN 274.A O no hydrogen 2.972 N/A ARG 282.A N PHE 171.A O no hydrogen 2.907 N/A THR 283.A N PHE 171.A O no hydrogen 3.133 N/A ARG 285.A N LEU 169.A O no hydrogen 2.928 N/A ALA 287.A N TRP 167.A O no hydrogen 2.924 N/A THR 288.A N SER 36.A OG no hydrogen 2.966 N/A GLY 289.A N PHE 165.A O no hydrogen 3.192 N/A VAL 291.A N ALA 34.A O no hydrogen 3.035 N/A ALA 294.A N ALA 141.A O no hydrogen 2.958 N/A ARG 295.A N ARG 6.A O no hydrogen 2.985 N/A ARG 295.A NH1.A GLY 293.A O no hydrogen 3.135 N/A VAL 297.A N THR 4.A O no hydrogen 2.713 N/A SER 298.A N THR 4.A O no hydrogen 3.452 N/A SER 298.A OG THR 4.A O no hydrogen 3.518 N/A