Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pan_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 1.A OD1 no hydrogen 3.035 N/A ALA 4.A N ASP 1.A OD2 no hydrogen 3.321 N/A VAL 5.A N ASP 1.A O no hydrogen 3.347 N/A GLU 6.A N LYS 2.A O no hydrogen 2.923 N/A ARG 7.A N ALA 3.A O no hydrogen 2.971 N/A ARG 7.A NH1 LYS 184.A O no hydrogen 2.955 N/A ARG 7.A NH2 LYS 184.A O no hydrogen 3.095 N/A SER 8.A N ALA 4.A O no hydrogen 3.117 N/A SER 8.A N VAL 5.A O no hydrogen 3.154 N/A SER 8.A OG ALA 4.A O no hydrogen 2.745 N/A LYS 9.A N GLU 6.A O no hydrogen 3.209 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 2.763 N/A MET 10.A N ARG 7.A O no hydrogen 3.216 N/A ARG 13.A NH1 GLY 19.A O no hydrogen 2.851 N/A ARG 13.A NH1 ALA 22.A O no hydrogen 2.836 N/A ASN 14.A N ILE 11.A O no hydrogen 2.989 N/A ASN 14.A ND2 ILE 11.A O no hydrogen 2.913 N/A LEU 15.A N ASP 12.A O no hydrogen 3.142 N/A ARG 16.A N ARG 13.A O no hydrogen 2.954 N/A GLY 19.A N ARG 16.A O no hydrogen 3.063 N/A LYS 21.A N ASP 18.A O no hydrogen 2.889 N/A ALA 22.A N GLY 19.A O no hydrogen 2.961 N/A ALA 23.A N PHE 323.A O no hydrogen 3.238 N/A ARG 24.A NH1 ASP 12.A OD2 no hydrogen 2.869 N/A ARG 24.A NH1 CYS 320.A O no hydrogen 2.860 N/A ARG 24.A NH2 ASP 12.A OD1 no hydrogen 3.051 N/A GLU 25.A N GLY 321.A O no hydrogen 3.038 N/A VAL 26.A N HIS 187.A O no hydrogen 3.029 N/A LYS 27.A N THR 196.A OG1 no hydrogen 3.246 N/A LEU 28.A N LYS 189.A O no hydrogen 2.780 N/A LEU 29.A N ALA 197.A O no hydrogen 2.954 N/A LEU 30.A N PHE 191.A O no hydrogen 2.775 N/A LEU 31.A N ILE 199.A O no hydrogen 2.864 N/A SER 36.A N ALA 33.A O no hydrogen 3.093 N/A SER 36.A OG ALA 33.A O no hydrogen 2.867 N/A SER 36.A OG CYS 201.A O no hydrogen 3.531 N/A LYS 38.A NZ GLY 32.A O no hydrogen 3.044 N/A LYS 38.A NZ ALA 33.A O no hydrogen 3.122 N/A ILE 41.A N GLY 37.A O no hydrogen 3.007 N/A VAL 42.A N LYS 38.A O no hydrogen 3.108 N/A LYS 43.A N SER 39.A O no hydrogen 3.032 N/A GLN 44.A N THR 40.A O no hydrogen 2.964 N/A GLN 44.A NE2 ALA 295.A O no hydrogen 2.695 N/A MET 45.A N ILE 41.A O no hydrogen 3.057 N/A LYS 46.A N VAL 42.A O no hydrogen 3.334 N/A LYS 46.A NZ GLU 57.A OE1 no hydrogen 3.182 N/A ILE 47.A N LYS 43.A O no hydrogen 3.035 N/A ILE 48.A N GLN 44.A O no hydrogen 2.680 N/A HIS 49.A N MET 45.A O no hydrogen 2.959 N/A GLU 50.A N LYS 46.A O no hydrogen 3.085 N/A GLY 52.A N LYS 46.A O no hydrogen 2.948 N/A TYR 53.A N GLN 163.A OE1 no hydrogen 3.082 N/A SER 54.A N GLU 57.A OE2 no hydrogen 2.744 N/A SER 54.A OG GLU 57.A OE2 no hydrogen 3.056 N/A CYS 58.A N SER 54.A O no hydrogen 3.001 N/A CYS 58.A SG TYR 53.A O no hydrogen 4.042 N/A CYS 58.A SG SER 54.A O no hydrogen 3.306 N/A LYS 59.A N GLU 55.A O no hydrogen 2.886 N/A LYS 59.A N GLU 56.A O no hydrogen 3.230 N/A GLN 60.A N GLU 57.A O no hydrogen 3.237 N/A TYR 61.A N CYS 58.A O no hydrogen 3.162 N/A LYS 62.A N LYS 59.A O no hydrogen 3.294 N/A VAL 65.A N TYR 61.A O no hydrogen 2.846 N/A TYR 66.A N LYS 62.A O no hydrogen 2.934 N/A SER 67.A N ALA 63.A O no hydrogen 2.847 N/A ASN 68.A N VAL 64.A O no hydrogen 2.918 N/A ASN 68.A ND2 ARG 170.A O no hydrogen 3.555 N/A THR 69.A N VAL 65.A O no hydrogen 3.099 N/A THR 69.A OG1 VAL 65.A O no hydrogen 2.622 N/A ILE 70.A N TYR 66.A O no hydrogen 2.893 N/A GLN 71.A N SER 67.A O no hydrogen 2.854 N/A SER 72.A N ASN 68.A O no hydrogen 2.918 N/A SER 72.A OG ASN 68.A O no hydrogen 2.881 N/A ILE 73.A N THR 69.A O no hydrogen 2.965 N/A ILE 74.A N ILE 70.A O no hydrogen 2.978 N/A ALA 75.A N GLN 71.A O no hydrogen 2.945 N/A ILE 76.A N SER 72.A O no hydrogen 3.151 N/A ILE 77.A N ILE 73.A O no hydrogen 2.968 N/A ARG 78.A N ILE 74.A O no hydrogen 2.820 N/A ALA 79.A N ALA 75.A O no hydrogen 3.091 N/A MET 80.A N ILE 76.A O no hydrogen 3.088 N/A MET 80.A N ILE 77.A O no hydrogen 3.169 N/A GLY 81.A N ARG 78.A O no hydrogen 3.244 N/A LEU 83.A N ALA 79.A O no hydrogen 2.801 N/A ILE 85.A N MET 80.A O no hydrogen 2.828 N/A GLY 88.A N ASP 125.A OD1 no hydrogen 3.012 N/A GLY 88.A N ASP 125.A OD2 no hydrogen 2.973 N/A ASP 89.A N ASP 125.A OD1 no hydrogen 3.021 N/A ALA 91.A N ASP 89.A OD1 no hydrogen 3.250 N/A ARG 92.A N ASP 89.A O no hydrogen 3.002 N/A ARG 92.A NE ASP 95.A OD2 no hydrogen 2.951 N/A ARG 92.A NH2 ASP 95.A OD2 no hydrogen 3.200 N/A ALA 93.A N ALA 90.A O no hydrogen 3.391 N/A ASP 94.A N ALA 91.A O no hydrogen 3.384 N/A ALA 96.A N ARG 92.A O no hydrogen 2.725 N/A ARG 97.A N ALA 93.A O no hydrogen 3.042 N/A ARG 97.A NH1 ASP 94.A OD1 no hydrogen 3.465 N/A GLN 98.A N ASP 94.A O no hydrogen 2.897 N/A GLN 98.A NE2 GLU 114.A OE2 no hydrogen 2.943 N/A LEU 99.A N ASP 95.A O no hydrogen 2.855 N/A PHE 100.A N ALA 96.A O no hydrogen 3.392 N/A VAL 101.A N ARG 97.A O no hydrogen 3.059 N/A LEU 102.A N GLN 98.A O no hydrogen 2.991 N/A ALA 103.A N LEU 99.A O no hydrogen 2.942 N/A GLY 104.A N PHE 100.A O no hydrogen 2.798 N/A ALA 105.A N LEU 102.A O no hydrogen 3.314 N/A LEU 115.A N THR 112.A OG1 no hydrogen 2.997 N/A ALA 116.A N THR 112.A O no hydrogen 2.842 N/A GLY 117.A N ALA 113.A O no hydrogen 2.968 N/A VAL 118.A N GLU 114.A O no hydrogen 3.025 N/A ILE 119.A N LEU 115.A O no hydrogen 2.883 N/A LYS 120.A N ALA 116.A O no hydrogen 2.806 N/A LYS 120.A NZ ASP 152.A OD2 no hydrogen 2.961 N/A ARG 121.A N GLY 117.A O no hydrogen 3.132 N/A ARG 121.A NE ASP 95.A OD2 no hydrogen 2.872 N/A ARG 121.A NH2 ASP 95.A OD1 no hydrogen 3.155 N/A LEU 122.A N VAL 118.A O no hydrogen 3.176 N/A TRP 123.A N ILE 119.A O no hydrogen 2.830 N/A TRP 123.A NE1 ASN 149.A OD1 no hydrogen 2.522 N/A LYS 124.A N LYS 120.A O no hydrogen 3.045 N/A ASP 125.A N LEU 122.A O no hydrogen 3.083 N/A GLY 127.A N ASP 125.A OD2 no hydrogen 2.765 N/A VAL 128.A N ASP 125.A OD2 no hydrogen 3.147 N/A GLN 129.A N ASP 125.A O no hydrogen 2.902 N/A GLN 129.A NE2 TRP 123.A O no hydrogen 2.688 N/A ALA 130.A N SER 126.A O no hydrogen 2.944 N/A CYS 131.A N GLY 127.A O no hydrogen 3.008 N/A CYS 131.A SG ILE 76.A O no hydrogen 3.358 N/A CYS 131.A SG TYR 138.A OH no hydrogen 3.609 N/A PHE 132.A N VAL 128.A O no hydrogen 2.864 N/A ASN 133.A N GLN 129.A O no hydrogen 3.112 N/A ARG 134.A N CYS 131.A O no hydrogen 2.916 N/A ARG 134.A NE GLU 137.A OE2 no hydrogen 2.532 N/A ARG 134.A NH2 GLU 137.A OE1 no hydrogen 3.057 N/A ARG 134.A NH2 GLU 137.A OE2 no hydrogen 3.342 N/A SER 135.A N PHE 132.A O no hydrogen 3.024 N/A SER 135.A OG PHE 132.A O no hydrogen 3.224 N/A ARG 136.A NE ASP 208.A O no hydrogen 3.453 N/A GLU 137.A N ARG 134.A O no hydrogen 2.687 N/A TYR 138.A N SER 135.A O no hydrogen 2.988 N/A TYR 138.A OH CYS 131.A O no hydrogen 2.641 N/A ASN 141.A N ASN 141.A OD1 no hydrogen 2.568 N/A ASN 141.A ND2 GLN 71.A OE1 no hydrogen 3.144 N/A SER 143.A OG ARG 168.A O no hydrogen 2.635 N/A ALA 144.A N ASN 141.A O no hydrogen 3.072 N/A TYR 146.A OH ASP 165.A OD1 no hydrogen 2.651 N/A TYR 147.A N SER 143.A O no hydrogen 3.040 N/A TYR 147.A OH ASP 165.A O no hydrogen 2.682 N/A LEU 148.A N ALA 144.A O no hydrogen 2.982 N/A ASN 149.A N ALA 145.A O no hydrogen 2.959 N/A ASP 150.A N TYR 147.A O no hydrogen 3.034 N/A LEU 151.A N LEU 148.A O no hydrogen 2.893 N/A ARG 153.A N ASP 150.A O no hydrogen 3.094 N/A ARG 153.A NH1 ASP 165.A OD1 no hydrogen 3.501 N/A ARG 153.A NH1 ASP 165.A OD2 no hydrogen 2.810 N/A ARG 153.A NH2 ASP 150.A OD2 no hydrogen 2.881 N/A ARG 153.A NH2 ASP 165.A OD1 no hydrogen 3.061 N/A ILE 154.A N ASP 150.A O no hydrogen 3.248 N/A ALA 155.A N LEU 151.A O no hydrogen 2.762 N/A GLN 156.A N ARG 153.A O no hydrogen 3.282 N/A GLN 156.A NE2 ASP 152.A O no hydrogen 3.468 N/A TYR 159.A N GLN 156.A O no hydrogen 3.264 N/A TYR 159.A OH ASP 165.A OD2 no hydrogen 2.759 N/A THR 162.A N ASP 165.A OD2 no hydrogen 2.980 N/A GLN 164.A NE2 THR 296.A O no hydrogen 3.086 N/A ASP 165.A N THR 162.A OG1 no hydrogen 3.026 N/A VAL 166.A N THR 162.A O no hydrogen 2.938 N/A LEU 167.A N GLN 163.A O no hydrogen 2.819 N/A ARG 168.A N GLN 164.A O no hydrogen 2.911 N/A ARG 168.A NE GLN 164.A OE1 no hydrogen 2.893 N/A THR 169.A N VAL 166.A O no hydrogen 3.103 N/A THR 169.A OG1 VAL 166.A O no hydrogen 2.690 N/A ARG 170.A N ASN 68.A OD1 no hydrogen 2.876 N/A VAL 177.A N ASP 192.A O no hydrogen 3.242 N/A THR 179.A N MET 190.A O no hydrogen 2.881 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.713 N/A PHE 181.A N PHE 188.A O no hydrogen 3.302 N/A PHE 183.A N LEU 186.A O no hydrogen 2.991 N/A LYS 184.A NZ ASP 306.A OD2 no hydrogen 3.023 N/A LYS 184.A NZ ASP 310.A OD1 no hydrogen 2.817 N/A LEU 186.A N PHE 183.A O no hydrogen 2.881 N/A HIS 187.A N ARG 24.A O no hydrogen 2.846 N/A PHE 188.A N PHE 181.A O no hydrogen 2.812 N/A LYS 189.A N VAL 26.A O no hydrogen 2.816 N/A MET 190.A N THR 179.A O no hydrogen 2.859 N/A PHE 191.A N LEU 28.A O no hydrogen 2.822 N/A ASP 192.A N VAL 177.A O no hydrogen 2.797 N/A VAL 193.A N LEU 30.A O no hydrogen 3.144 N/A GLY 194.A N TRP 227.A O no hydrogen 3.288 N/A THR 196.A N LYS 27.A O no hydrogen 3.063 N/A THR 196.A OG1 LYS 27.A O no hydrogen 3.545 N/A ALA 197.A N LYS 27.A O no hydrogen 3.365 N/A ILE 198.A N SER 232.A O no hydrogen 2.787 N/A ILE 199.A N LEU 29.A O no hydrogen 2.791 N/A PHE 200.A N ILE 234.A O no hydrogen 2.724 N/A CYS 201.A N LEU 31.A O no hydrogen 2.805 N/A VAL 202.A N PHE 236.A O no hydrogen 2.897 N/A LEU 204.A N ASN 238.A O no hydrogen 2.947 N/A ASP 206.A N ALA 203.A O no hydrogen 2.994 N/A TYR 207.A N LEU 204.A O no hydrogen 3.340 N/A TYR 207.A OH SER 250.A O no hydrogen 2.629 N/A LEU 209.A N ASP 206.A O no hydrogen 2.830 N/A ARG 211.A NH2 GLN 139.A OE1 no hydrogen 3.325 N/A HIS 213.A N ASN 210.A OD1 no hydrogen 2.977 N/A HIS 213.A ND1 ASN 210.A OD1 no hydrogen 2.859 N/A GLU 214.A N ASN 210.A O no hydrogen 3.241 N/A SER 215.A N ARG 211.A O no hydrogen 2.892 N/A MET 216.A N MET 212.A O no hydrogen 2.879 N/A LYS 217.A N HIS 213.A O no hydrogen 2.965 N/A LEU 218.A N GLU 214.A O no hydrogen 3.018 N/A PHE 219.A N SER 215.A O no hydrogen 2.924 N/A ASP 220.A N MET 216.A O no hydrogen 2.817 N/A SER 221.A N LYS 217.A O no hydrogen 3.286 N/A ILE 222.A N LEU 218.A O no hydrogen 3.047 N/A CYS 223.A N PHE 219.A O no hydrogen 2.728 N/A ASN 224.A N ASP 220.A O no hydrogen 3.293 N/A ASN 224.A ND2 ASP 220.A O no hydrogen 2.898 N/A ASN 224.A ND2 LEU 279.A O no hydrogen 2.853 N/A ASN 225.A N ILE 222.A O no hydrogen 3.103 N/A TRP 227.A N ASN 225.A OD1 no hydrogen 3.105 N/A PHE 228.A N ASN 225.A O no hydrogen 3.460 N/A THR 229.A N LYS 226.A O no hydrogen 3.323 N/A THR 229.A OG1 LYS 226.A O no hydrogen 3.015 N/A THR 231.A N PHE 228.A O no hydrogen 2.923 N/A THR 231.A OG1 VAL 195.A O no hydrogen 2.783 N/A SER 232.A N THR 196.A O no hydrogen 2.928 N/A SER 232.A OG ASN 316.A OD1 no hydrogen 2.570 N/A ILE 234.A N ILE 198.A O no hydrogen 2.717 N/A LEU 235.A N TYR 289.A O no hydrogen 2.733 N/A PHE 236.A N PHE 200.A O no hydrogen 2.821 N/A LEU 237.A N HIS 291.A O no hydrogen 2.807 N/A ASN 238.A N VAL 202.A O no hydrogen 2.630 N/A ASN 238.A ND2 SER 36.A O no hydrogen 2.990 N/A LYS 239.A NZ GLU 35.A O no hydrogen 3.094 N/A LYS 239.A NZ ASP 142.A OD2 no hydrogen 2.343 N/A LYS 240.A N THR 293.A O no hydrogen 3.258 N/A LYS 240.A NZ PHE 292.A O no hydrogen 3.159 N/A PHE 243.A N LYS 239.A O no hydrogen 2.965 N/A GLU 244.A N LYS 240.A O no hydrogen 2.879 N/A GLU 245.A N ASP 241.A O no hydrogen 3.277 N/A LYS 246.A N LEU 242.A O no hydrogen 3.026 N/A LYS 246.A NZ SER 205.A O no hydrogen 2.954 N/A LYS 246.A NZ ASP 208.A OD1 no hydrogen 2.610 N/A LYS 246.A NZ ASP 208.A OD2 no hydrogen 3.529 N/A ILE 247.A N PHE 243.A O no hydrogen 2.853 N/A LYS 249.A N LYS 246.A O no hydrogen 3.099 N/A LYS 249.A NZ GLU 245.A O no hydrogen 3.493 N/A SER 250.A N LYS 246.A O no hydrogen 2.999 N/A SER 250.A OG ASP 208.A OD2 no hydrogen 2.923 N/A LEU 252.A N ASN 263.A OD1 no hydrogen 2.907 N/A ILE 254.A N PRO 251.A O no hydrogen 3.057 N/A CYS 255.A N LEU 252.A O no hydrogen 2.765 N/A CYS 255.A SG ASN 210.A OD1 no hydrogen 3.726 N/A TYR 256.A N LEU 252.A O no hydrogen 2.953 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.803 N/A TYR 259.A N TYR 256.A O no hydrogen 3.026 N/A TYR 259.A OH SER 262.A O no hydrogen 2.524 N/A SER 262.A N GLU 267.A OE1 no hydrogen 2.769 N/A SER 262.A OG GLU 267.A OE2 no hydrogen 3.049 N/A ALA 268.A N THR 264.A O no hydrogen 2.977 N/A ALA 269.A N TYR 265.A O no hydrogen 2.909 N/A ALA 270.A N GLU 266.A O no hydrogen 3.165 N/A TYR 271.A N GLU 267.A O no hydrogen 2.941 N/A TYR 271.A OH GLU 258.A OE2 no hydrogen 2.425 N/A ILE 272.A N ALA 268.A O no hydrogen 3.064 N/A GLN 273.A N ALA 269.A O no hydrogen 3.077 N/A GLN 273.A NE2 GLU 277.A OE2 no hydrogen 2.736 N/A CYS 274.A N ALA 270.A O no hydrogen 2.954 N/A CYS 274.A SG ALA 270.A O no hydrogen 3.642 N/A GLN 275.A N TYR 271.A O no hydrogen 2.930 N/A PHE 276.A N ILE 272.A O no hydrogen 3.122 N/A GLU 277.A N GLN 273.A O no hydrogen 2.938 N/A ASP 278.A N CYS 274.A O no hydrogen 2.867 N/A LEU 279.A N PHE 276.A O no hydrogen 3.015 N/A ASN 280.A N GLU 277.A O no hydrogen 3.034 N/A ASN 280.A ND2 LYS 286.A O no hydrogen 2.992 N/A LYS 281.A N ASN 224.A OD1 no hydrogen 2.865 N/A ARG 282.A N ASN 280.A OD1 no hydrogen 3.177 N/A LYS 283.A NZ ASP 278.A O no hydrogen 3.043 N/A LYS 283.A NZ ASP 278.A OD1 no hydrogen 3.215 N/A LYS 283.A NZ ASN 280.A O no hydrogen 2.937 N/A THR 285.A N ARG 282.A O no hydrogen 3.085 N/A LYS 286.A N ARG 282.A O no hydrogen 2.749 N/A LYS 286.A NZ PHE 228.A O no hydrogen 2.681 N/A LYS 286.A NZ THR 229.A O no hydrogen 2.705 N/A LYS 286.A NZ THR 231.A O no hydrogen 2.712 N/A TYR 289.A N ILE 233.A O no hydrogen 2.955 N/A THR 290.A OG1 GLU 277.A OE2 no hydrogen 2.593 N/A HIS 291.A N LEU 235.A O no hydrogen 2.786 N/A THR 293.A N LEU 237.A O no hydrogen 3.046 N/A THR 293.A OG1 ASN 238.A OD1 no hydrogen 2.732 N/A CYS 294.A N ASN 300.A OD1 no hydrogen 2.886 N/A CYS 294.A SG THR 296.A OG1 no hydrogen 3.452 N/A ALA 295.A N ASN 238.A OD1 no hydrogen 2.943 N/A ASP 297.A N CYS 294.A O no hydrogen 2.851 N/A THR 298.A OG1 GLN 44.A OE1 no hydrogen 2.595 N/A ASN 300.A N ASP 297.A OD1 no hydrogen 2.913 N/A VAL 301.A N ASP 297.A O no hydrogen 2.995 N/A GLN 302.A N THR 298.A O no hydrogen 2.870 N/A PHE 303.A N LYS 299.A O no hydrogen 2.963 N/A VAL 304.A N ASN 300.A O no hydrogen 2.872 N/A TYR 305.A N VAL 301.A O no hydrogen 2.764 N/A ASP 306.A N GLN 302.A O no hydrogen 3.007 N/A ALA 307.A N PHE 303.A O no hydrogen 3.157 N/A VAL 308.A N VAL 304.A O no hydrogen 2.912 N/A THR 309.A N TYR 305.A O no hydrogen 2.877 N/A THR 309.A OG1 TYR 305.A O no hydrogen 2.916 N/A ASP 310.A N ASP 306.A O no hydrogen 3.212 N/A VAL 311.A N ALA 307.A O no hydrogen 3.172 N/A ILE 312.A N VAL 308.A O no hydrogen 3.178 N/A ILE 313.A N THR 309.A O no hydrogen 2.965 N/A LYS 314.A N ASP 310.A O no hydrogen 3.018 N/A ASN 315.A N VAL 311.A O no hydrogen 3.004 N/A ASN 316.A N ILE 312.A O no hydrogen 2.719 N/A ASP 319.A N ASN 316.A O no hydrogen 2.908 N/A CYS 320.A N LEU 317.A O no hydrogen 2.839 N/A CYS 320.A SG THR 196.A OG1 no hydrogen 3.763 N/A CYS 320.A SG ASN 316.A O no hydrogen 3.664 N/A PHE 323.A N ALA 23.A O no hydrogen 2.858 N/A