Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLU 63.A O no hydrogen 2.849 N/A ALA 4.A N LEU 141.A O no hydrogen 2.844 N/A VAL 5.A N ALA 65.A O no hydrogen 2.865 N/A THR 6.A N ILE 143.A O no hydrogen 2.918 N/A THR 6.A OG1 ILE 143.A O no hydrogen 2.683 N/A SER 8.A N ALA 146.A O no hydrogen 2.963 N/A ALA 10.A N GLY 47.A O no hydrogen 3.148 N/A THR 11.A N ALA 100.A O no hydrogen 3.224 N/A ASP 12.A N HIS 45.A O no hydrogen 2.818 N/A HIS 13.A N PHE 102.A O no hydrogen 2.764 N/A LEU 14.A N VAL 43.A O no hydrogen 2.836 N/A MET 15.A N CYS 104.A O no hydrogen 2.808 N/A ARG 16.A N ASP 41.A O no hydrogen 3.291 N/A ARG 16.A NE ASP 40.A OD1 no hydrogen 3.357 N/A ARG 16.A NH2 ASP 40.A OD1 no hydrogen 3.056 N/A PHE 17.A N THR 106.A O no hydrogen 2.816 N/A PHE 21.A N ASP 107.A OD2 no hydrogen 2.701 N/A GLU 23.A N ARG 20.A O no hydrogen 3.028 N/A GLN 24.A N PHE 21.A O no hydrogen 3.027 N/A LEU 25.A N PHE 21.A O no hydrogen 2.730 N/A LEU 26.A N SER 22.A O no hydrogen 2.698 N/A GLU 28.A N LEU 25.A O no hydrogen 2.862 N/A HIS 29.A N GLU 28.A OE2 no hydrogen 2.618 N/A LYS 32.A N HIS 29.A O no hydrogen 3.054 N/A SER 34.A N GLU 28.A OE1 no hydrogen 2.950 N/A ASP 40.A N ARG 16.A O no hydrogen 2.815 N/A VAL 43.A N LEU 14.A O no hydrogen 2.897 N/A HIS 45.A N ASP 12.A O no hydrogen 2.864 N/A GLY 47.A N ALA 10.A O no hydrogen 2.788 N/A VAL 49.A N SER 8.A OG no hydrogen 3.179 N/A ALA 50.A N SER 8.A O no hydrogen 3.016 N/A ASN 52.A N GLY 48.A O no hydrogen 2.960 N/A ASN 52.A ND2 ASP 257.A OD2 no hydrogen 2.951 N/A MET 53.A N VAL 49.A O no hydrogen 3.010 N/A ALA 54.A N ALA 50.A O no hydrogen 2.880 N/A PHE 55.A N GLY 51.A O no hydrogen 2.907 N/A ALA 56.A N ASN 52.A O no hydrogen 3.138 N/A ILE 57.A N MET 53.A O no hydrogen 3.041 N/A GLY 58.A N ALA 54.A O no hydrogen 2.856 N/A VAL 59.A N PHE 55.A O no hydrogen 2.940 N/A LEU 60.A N ALA 56.A O no hydrogen 3.079 N/A GLY 61.A N GLY 58.A O no hydrogen 2.969 N/A GLY 62.A N ILE 57.A O no hydrogen 2.941 N/A ALA 65.A N ILE 3.A O no hydrogen 2.937 N/A LEU 66.A N ASN 87.A O no hydrogen 2.829 N/A VAL 67.A N VAL 5.A O no hydrogen 2.787 N/A ALA 70.A N LEU 92.A O no hydrogen 2.892 N/A GLY 71.A N THR 99.A OG1 no hydrogen 2.985 N/A PHE 74.A N GLY 71.A O no hydrogen 2.969 N/A ALA 75.A N ALA 72.A O no hydrogen 3.320 N/A TYR 77.A OH GLY 47.A O no hydrogen 2.663 N/A ARG 78.A N PHE 74.A O no hydrogen 2.782 N/A ARG 78.A NH1 CYS 88.A O no hydrogen 3.149 N/A ASP 79.A N ALA 75.A O no hydrogen 3.089 N/A TRP 80.A N ASP 76.A O no hydrogen 2.983 N/A TRP 80.A NE1 GLN 294.A OE1 no hydrogen 2.832 N/A LEU 81.A N TYR 77.A O no hydrogen 2.966 N/A LYS 82.A N ARG 78.A O no hydrogen 2.807 N/A ALA 83.A N ASP 79.A O no hydrogen 3.064 N/A ARG 84.A N LEU 81.A O no hydrogen 2.969 N/A GLY 85.A N LYS 82.A O no hydrogen 3.145 N/A VAL 86.A N LEU 81.A O no hydrogen 3.047 N/A ASN 87.A N VAL 64.A O no hydrogen 2.941 N/A CYS 88.A SG VAL 86.A O no hydrogen 3.840 N/A ASP 89.A N ASN 87.A OD1 no hydrogen 2.772 N/A VAL 91.A N CYS 88.A O no hydrogen 3.193 N/A LEU 92.A N GLY 68.A O no hydrogen 2.901 N/A SER 94.A N ALA 70.A O no hydrogen 2.808 N/A SER 94.A OG GLU 123.A OE1 no hydrogen 3.482 N/A SER 94.A OG GLU 123.A OE2 no hydrogen 2.591 N/A THR 96.A N SER 94.A OG no hydrogen 3.075 N/A ALA 97.A N SER 94.A OG no hydrogen 2.925 N/A HIS 98.A N TYR 117.A OH no hydrogen 2.996 N/A THR 99.A N ASP 73.A OD1 no hydrogen 2.889 N/A THR 99.A OG1 ASP 73.A OD1 no hydrogen 2.792 N/A ARG 101.A N TYR 117.A O no hydrogen 2.866 N/A PHE 102.A N THR 11.A O no hydrogen 2.969 N/A THR 103.A N SER 115.A O no hydrogen 2.982 N/A CYS 104.A N HIS 13.A O no hydrogen 2.986 N/A THR 105.A N ILE 113.A O no hydrogen 2.918 N/A THR 106.A N MET 15.A O no hydrogen 2.972 N/A ASP 107.A N ALA 111.A O no hydrogen 2.976 N/A VAL 108.A N GLY 19.A O no hydrogen 3.039 N/A ASP 109.A N ASP 107.A OD1 no hydrogen 2.969 N/A MET 110.A N ASP 107.A O no hydrogen 3.025 N/A ALA 111.A N ASP 107.A OD1 no hydrogen 2.913 N/A GLN 112.A NE2 THR 106.A OG1 no hydrogen 3.020 N/A ILE 113.A N THR 105.A O no hydrogen 2.983 N/A SER 115.A N THR 103.A O no hydrogen 2.761 N/A TYR 117.A N ARG 101.A O no hydrogen 2.842 N/A ALA 120.A N HIS 98.A O no hydrogen 2.950 N/A MET 121.A N PRO 118.A O no hydrogen 3.102 N/A GLU 123.A N ALA 120.A O no hydrogen 2.944 N/A ALA 124.A N MET 121.A O no hydrogen 3.123 N/A ARG 125.A NE ASP 148.A OD2 no hydrogen 3.256 N/A ARG 125.A NH2 ASP 148.A OD1 no hydrogen 2.814 N/A ARG 125.A NH2 ASP 148.A OD2 no hydrogen 3.304 N/A ASN 126.A N GLU 123.A O no hydrogen 2.999 N/A ILE 127.A N ALA 124.A O no hydrogen 3.103 N/A LEU 129.A N GLU 158.A OE1 no hydrogen 2.765 N/A ALA 130.A N GLU 158.A OE2 no hydrogen 3.047 N/A ASP 131.A N LYS 128.A O no hydrogen 3.078 N/A VAL 133.A N LEU 129.A O no hydrogen 3.077 N/A SER 134.A N ALA 130.A O no hydrogen 2.942 N/A SER 134.A OG ALA 130.A O no hydrogen 3.040 N/A ALA 135.A N ASP 131.A O no hydrogen 3.195 N/A ILE 136.A N VAL 132.A O no hydrogen 2.841 N/A GLU 140.A N THR 2.A O no hydrogen 2.875 N/A VAL 142.A N ALA 165.A O no hydrogen 2.836 N/A ILE 143.A N ALA 4.A O no hydrogen 2.816 N/A ILE 144.A N ALA 167.A O no hydrogen 2.894 N/A GLY 145.A N THR 6.A O no hydrogen 2.951 N/A ASP 148.A N ASN 147.A OD1 no hydrogen 2.923 N/A ALA 151.A N ASP 148.A OD2 no hydrogen 2.947 N/A MET 152.A N ASP 148.A O no hydrogen 3.093 N/A PHE 153.A N PRO 149.A O no hydrogen 3.206 N/A LEU 154.A N GLU 150.A O no hydrogen 2.911 N/A HIS 155.A N ALA 151.A O no hydrogen 2.871 N/A THR 156.A N MET 152.A O no hydrogen 3.043 N/A THR 156.A OG1 MET 152.A O no hydrogen 2.784 N/A GLU 157.A N PHE 153.A O no hydrogen 2.911 N/A GLU 158.A N LEU 154.A O no hydrogen 2.937 N/A CYS 159.A N HIS 155.A O no hydrogen 3.000 N/A CYS 159.A SG HIS 155.A O no hydrogen 3.362 N/A ARG 160.A N THR 156.A O no hydrogen 3.187 N/A ARG 160.A NE ASN 187.A O no hydrogen 3.290 N/A ARG 160.A NH1 ARG 184.A O no hydrogen 3.437 N/A ARG 160.A NH2 ARG 184.A O no hydrogen 2.650 N/A ARG 160.A NH2 ASN 187.A O no hydrogen 2.850 N/A LYS 161.A N GLU 157.A O no hydrogen 2.911 N/A LEU 162.A N GLU 158.A O no hydrogen 2.778 N/A GLY 163.A N ARG 160.A O no hydrogen 3.266 N/A LEU 164.A N CYS 159.A O no hydrogen 2.805 N/A ALA 167.A N VAL 142.A O no hydrogen 2.845 N/A ALA 168.A N TYR 191.A O no hydrogen 2.851 N/A SER 171.A OG GLU 198.A OE1 no hydrogen 2.648 N/A SER 171.A OG GLU 198.A OE2 no hydrogen 3.303 N/A GLN 173.A N PRO 170.A O no hydrogen 3.303 N/A LEU 174.A N SER 171.A O no hydrogen 3.089 N/A ARG 176.A N GLN 173.A O no hydrogen 3.093 N/A LEU 177.A N GLN 173.A O no hydrogen 3.032 N/A SER 178.A N GLU 181.A OE1 no hydrogen 3.107 N/A SER 178.A OG GLU 181.A OE1 no hydrogen 3.487 N/A GLU 181.A N SER 178.A OG no hydrogen 3.048 N/A ILE 182.A N SER 178.A O no hydrogen 2.900 N/A ARG 183.A N GLY 179.A O no hydrogen 2.942 N/A ARG 183.A NE THR 206.A O no hydrogen 2.937 N/A ARG 183.A NH2 THR 206.A O no hydrogen 2.846 N/A ARG 184.A N GLU 180.A O no hydrogen 3.294 N/A ARG 184.A NE GLU 180.A OE1 no hydrogen 3.149 N/A ARG 184.A NE GLU 180.A OE2 no hydrogen 3.100 N/A ARG 184.A NH2 GLU 180.A OE1 no hydrogen 3.342 N/A LEU 185.A N ILE 182.A O no hydrogen 3.036 N/A VAL 186.A N ARG 183.A O no hydrogen 3.021 N/A ASN 187.A N ARG 183.A O no hydrogen 2.988 N/A GLY 188.A N GLN 216.A O no hydrogen 3.040 N/A ALA 189.A N VAL 186.A O no hydrogen 3.060 N/A ALA 190.A N PHE 166.A O no hydrogen 2.833 N/A LEU 192.A N LEU 219.A O no hydrogen 2.868 N/A PHE 193.A N ALA 168.A O no hydrogen 2.841 N/A THR 194.A N VAL 221.A O no hydrogen 3.248 N/A THR 194.A OG1 ASN 195.A O no hydrogen 2.786 N/A ASN 195.A N GLU 198.A OE1 no hydrogen 2.885 N/A ASP 196.A N ASP 196.A OD1 no hydrogen 2.537 N/A GLU 198.A N ASN 195.A OD1 no hydrogen 2.907 N/A TRP 199.A N ASN 195.A O no hydrogen 2.969 N/A ASP 200.A N ASP 196.A O no hydrogen 3.271 N/A LEU 201.A N TYR 197.A O no hydrogen 2.990 N/A LEU 202.A N GLU 198.A O no hydrogen 2.792 N/A LEU 203.A N TRP 199.A O no hydrogen 3.208 N/A SER 204.A N ASP 200.A O no hydrogen 3.116 N/A SER 204.A OG ASP 200.A O no hydrogen 3.324 N/A SER 204.A OG LEU 201.A O no hydrogen 2.726 N/A LYS 205.A N LEU 201.A O no hydrogen 2.940 N/A LYS 205.A NZ LEU 174.A O no hydrogen 3.157 N/A LYS 205.A NZ LEU 177.A O no hydrogen 2.829 N/A THR 206.A N LEU 202.A O no hydrogen 3.038 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.711 N/A THR 206.A OG1 LEU 203.A O no hydrogen 3.296 N/A GLY 207.A N LEU 203.A O no hydrogen 3.129 N/A TRP 208.A N LEU 203.A O no hydrogen 3.353 N/A TRP 208.A N THR 206.A OG1 no hydrogen 3.313 N/A SER 209.A N ASP 212.A OD2 no hydrogen 2.994 N/A ASP 212.A N SER 209.A OG no hydrogen 3.112 N/A VAL 213.A N SER 209.A O no hydrogen 3.194 N/A MET 214.A N GLU 210.A O no hydrogen 2.874 N/A ALA 215.A N ALA 211.A O no hydrogen 3.263 N/A GLN 216.A N VAL 213.A O no hydrogen 2.733 N/A ILE 217.A N VAL 213.A O no hydrogen 3.056 N/A ASP 218.A N ALA 189.A O no hydrogen 3.094 N/A ARG 220.A N VAL 232.A O no hydrogen 2.989 N/A ARG 220.A NE THR 222.A OG1 no hydrogen 2.709 N/A VAL 221.A N LEU 192.A O no hydrogen 2.749 N/A THR 222.A N ASP 230.A O no hydrogen 2.878 N/A THR 223.A N THR 194.A O no hydrogen 3.053 N/A THR 223.A OG1 THR 194.A O no hydrogen 3.563 N/A LEU 224.A N GLY 228.A O no hydrogen 2.719 N/A LYS 227.A N LEU 224.A O no hydrogen 3.057 N/A GLY 228.A N GLY 225.A O no hydrogen 3.212 N/A VAL 229.A N VAL 241.A O no hydrogen 2.964 N/A ASP 230.A N THR 222.A O no hydrogen 2.828 N/A LEU 231.A N ILE 239.A O no hydrogen 2.776 N/A VAL 232.A N ARG 220.A O no hydrogen 2.856 N/A GLU 233.A N THR 237.A O no hydrogen 2.966 N/A GLY 236.A N GLU 233.A O no hydrogen 3.073 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.730 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 3.288 N/A THR 237.A OG1 ASP 235.A OD2 no hydrogen 3.489 N/A ILE 239.A N LEU 231.A O no hydrogen 2.826 N/A HIS 240.A NE2 LYS 227.A O no hydrogen 2.695 N/A VAL 241.A N VAL 229.A O no hydrogen 3.035 N/A THR 247.A N GLU 289.A OE2 no hydrogen 2.738 N/A THR 247.A OG1 SER 248.A OG no hydrogen 3.424 N/A THR 247.A OG1 GLU 289.A OE2 no hydrogen 3.248 N/A SER 248.A OG THR 247.A OG1 no hydrogen 3.424 N/A THR 250.A OG1 LEU 288.A O no hydrogen 2.999 N/A ASP 251.A N LEU 288.A O no hydrogen 3.125 N/A THR 253.A N ASP 251.A OD1 no hydrogen 3.111 N/A THR 253.A OG1 ASP 251.A OD1 no hydrogen 3.152 N/A THR 253.A OG1 ASP 251.A OD2 no hydrogen 2.561 N/A ALA 258.A N GLY 254.A O no hydrogen 3.045 N/A PHE 259.A N VAL 255.A O no hydrogen 3.041 N/A ARG 260.A N GLY 256.A O no hydrogen 3.226 N/A ARG 260.A NE ASP 169.A OD1 no hydrogen 2.918 N/A ARG 260.A NE ASP 169.A OD2 no hydrogen 3.169 N/A ARG 260.A NH1 GLY 256.A O no hydrogen 2.827 N/A ARG 260.A NH2 ASP 169.A OD1 no hydrogen 3.345 N/A ALA 261.A N ASP 257.A O no hydrogen 3.068 N/A GLY 262.A N ALA 258.A O no hydrogen 2.924 N/A PHE 263.A N PHE 259.A O no hydrogen 2.855 N/A LEU 264.A N ARG 260.A O no hydrogen 2.872 N/A THR 265.A N ALA 261.A O no hydrogen 2.907 N/A THR 265.A OG1 ALA 261.A O no hydrogen 2.536 N/A GLY 266.A N GLY 262.A O no hydrogen 2.985 N/A ARG 267.A N PHE 263.A O no hydrogen 2.993 N/A ARG 267.A NE TYR 191.A OH no hydrogen 3.071 N/A ARG 267.A NH1 LEU 271.A O no hydrogen 2.962 N/A SER 268.A N LEU 264.A O no hydrogen 2.971 N/A SER 268.A OG GLU 140.A OE1 no hydrogen 2.636 N/A ALA 269.A N THR 265.A O no hydrogen 2.894 N/A GLY 270.A N ARG 267.A O no hydrogen 2.966 N/A LEU 271.A N GLY 266.A O no hydrogen 2.990 N/A ARG 275.A NE GLU 318.A OE1 no hydrogen 2.930 N/A ARG 275.A NH1 GLN 278.A OE1 no hydrogen 2.921 N/A ARG 275.A NH2 GLU 318.A OE1 no hydrogen 3.379 N/A SER 276.A N GLY 272.A O no hydrogen 3.049 N/A SER 276.A OG LEU 271.A O no hydrogen 3.357 N/A SER 276.A OG GLY 272.A O no hydrogen 2.878 N/A ALA 277.A N LEU 273.A O no hydrogen 3.043 N/A GLN 278.A N GLU 274.A O no hydrogen 3.000 N/A LEU 279.A N ARG 275.A O no hydrogen 3.021 N/A GLY 280.A N SER 276.A O no hydrogen 2.938 N/A SER 281.A N ALA 277.A O no hydrogen 2.913 N/A SER 281.A OG ALA 277.A O no hydrogen 2.767 N/A LEU 282.A N GLN 278.A O no hydrogen 3.175 N/A VAL 283.A N LEU 279.A O no hydrogen 3.074 N/A ALA 284.A N GLY 280.A O no hydrogen 2.917 N/A VAL 285.A N SER 281.A O no hydrogen 3.128 N/A LEU 286.A N LEU 282.A O no hydrogen 3.059 N/A VAL 287.A N VAL 283.A O no hydrogen 3.114 N/A LEU 288.A N ALA 284.A O no hydrogen 2.946 N/A GLU 289.A N VAL 285.A O no hydrogen 2.990 N/A SER 290.A N VAL 287.A O no hydrogen 3.108 N/A GLY 292.A N ASP 251.A OD2 no hydrogen 2.910 N/A THR 293.A OG1 ASN 52.A OD1 no hydrogen 2.718 N/A GLN 294.A NE2 ASN 52.A OD1 no hydrogen 3.091 N/A GLN 294.A NE2 TYR 77.A OH no hydrogen 2.901 N/A ALA 303.A N ASP 299.A O no hydrogen 2.808 N/A ALA 304.A N TYR 300.A O no hydrogen 3.042 N/A SER 305.A N GLU 301.A O no hydrogen 3.056 N/A ARG 306.A N ALA 302.A O no hydrogen 2.967 N/A ARG 306.A NH1 GLU 289.A OE1 no hydrogen 2.776 N/A ARG 306.A NH2 PRO 245.A O no hydrogen 2.914 N/A ARG 306.A NH2 GLU 289.A OE1 no hydrogen 3.435 N/A ARG 306.A NH2 GLU 289.A OE2 no hydrogen 2.690 N/A LEU 307.A N ALA 303.A O no hydrogen 2.855 N/A ALA 308.A N ALA 304.A O no hydrogen 3.029 N/A GLY 309.A N SER 305.A O no hydrogen 3.074 N/A ALA 310.A N ARG 306.A O no hydrogen 3.027 N/A TYR 311.A N LEU 307.A O no hydrogen 2.707 N/A TYR 311.A OH GLY 242.A O no hydrogen 2.593 N/A GLY 312.A N ALA 308.A O no hydrogen 2.746 N/A ALA 316.A N GLY 312.A O no hydrogen 3.159 N/A ALA 317.A N GLU 313.A O no hydrogen 2.998 N/A GLU 318.A N HIS 314.A O no hydrogen 3.162 N/A ILE 319.A N ALA 315.A O no hydrogen 2.927 N/A VAL 320.A N ALA 316.A O no hydrogen 2.912 N/A ALA 321.A N ALA 317.A O no hydrogen 3.078 N/A VAL 322.A N ILE 319.A O no hydrogen 3.232 N/A LEU 323.A N VAL 320.A O no hydrogen 2.995 N/A