Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1smr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N VAL 149.A O no hydrogen 2.994 N/A SER 5.A N LEU 172.A O no hydrogen 3.079 N/A SER 5.A OG GLY 97.A O no hydrogen 2.603 N/A VAL 7.A N VAL 170.A O no hydrogen 2.735 N/A LEU 9.A N GLY 168.A O no hydrogen 2.956 N/A THR 10.A N TYR 18.A O no hydrogen 2.976 N/A ASN 11.A ND2 ASN 14.A OD1 no hydrogen 2.688 N/A ASN 11.A ND2 GLY 162.A O no hydrogen 3.083 N/A TYR 12.A N GLN 16.A O no hydrogen 2.691 N/A ASN 14.A N ASN 11.A OD1 no hydrogen 2.764 N/A SER 15.A N TYR 12.A O no hydrogen 2.834 N/A SER 15.A OG TYR 12.A O no hydrogen 3.514 N/A GLN 16.A N TYR 12.A O no hydrogen 2.942 N/A GLN 16.A NE2 LEU 118.A O no hydrogen 2.932 N/A TYR 17.A OH ASN 160.A O no hydrogen 2.802 N/A TYR 18.A N THR 10.A O no hydrogen 3.074 N/A GLY 19.A N VAL 32.A O no hydrogen 3.026 N/A ILE 21.A N PHE 30.A O no hydrogen 3.017 N/A GLY 22.A N THR 95.A O no hydrogen 3.013 N/A ILE 23.A N GLN 28.A O no hydrogen 2.864 N/A GLY 24.A N SER 93.A O no hydrogen 3.026 N/A THR 25.A N SER 66.A OG no hydrogen 3.299 N/A THR 25.A OG1 SER 68.A OG no hydrogen 2.709 N/A GLN 28.A N ILE 23.A O no hydrogen 2.683 N/A GLN 28.A NE2 GLU 62.A O no hydrogen 3.026 N/A PHE 30.A N ILE 21.A O no hydrogen 3.076 N/A LYS 31.A N ASP 122.A OD2 no hydrogen 2.664 N/A VAL 32.A N GLY 19.A O no hydrogen 2.947 N/A ILE 33.A N GLY 123.A O no hydrogen 3.190 N/A ASP 35.A N LEU 125.A O no hydrogen 3.004 N/A THR 36.A N THR 221.A OG1 no hydrogen 2.907 N/A THR 36.A OG1 VAL 219.A O no hydrogen 2.722 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 3.089 N/A SER 38.A N ASP 35.A O no hydrogen 3.492 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.569 N/A ASN 40.A ND2 VAL 134.A O no hydrogen 3.124 N/A TRP 42.A N VAL 124.A O no hydrogen 2.937 N/A TRP 42.A NE1 TYR 80.A OH no hydrogen 2.972 N/A VAL 43.A N GLY 106.A O no hydrogen 3.014 N/A SER 45.A N VAL 108.A O no hydrogen 2.950 N/A SER 45.A OG GLU 107.A OE1 no hydrogen 2.679 N/A THR 46.A N TYR 61.A O no hydrogen 3.268 N/A THR 46.A OG1 TYR 61.A O no hydrogen 3.031 N/A THR 46.A OG1 GLU 62.A OE1 no hydrogen 2.724 N/A LYS 47.A N SER 45.A OG no hydrogen 3.403 N/A CYS 48.A N SER 45.A O no hydrogen 2.945 N/A CYS 48.A SG SER 49.A O no hydrogen 3.803 N/A CYS 48.A SG THR 109.A O no hydrogen 3.430 N/A CYS 55.A N TYR 52B.A O no hydrogen 3.003 N/A GLY 56.A N LEU 53.A O no hydrogen 2.741 N/A ILE 57.A N ALA 54.A O no hydrogen 3.351 N/A HIS 58.A NE2 PHE 116.A O no hydrogen 3.078 N/A SER 59.A N ASP 122.A OD1 no hydrogen 2.997 N/A TYR 61.A N PRO 44.A O no hydrogen 2.942 N/A TYR 61.A OH ASP 92.A OD2 no hydrogen 2.713 N/A GLU 62.A N GLN 28.A OE1 no hydrogen 3.284 N/A SER 64.A N GLU 62.A OE2 no hydrogen 3.142 N/A ASP 65.A N GLU 62.A O no hydrogen 3.158 N/A SER 66.A N SER 63.A O no hydrogen 3.368 N/A SER 66.A OG ASP 92.A OD1 no hydrogen 3.196 N/A SER 66.A OG ASP 92.A OD2 no hydrogen 2.582 N/A SER 67.A N THR 25.A O no hydrogen 3.078 N/A SER 68.A N SER 66.A OG no hydrogen 3.303 N/A SER 68.A OG THR 25.A OG1 no hydrogen 2.709 N/A SER 68.A OG SER 66.A OG no hydrogen 3.110 N/A SER 68.A OG ASP 92.A OD1 no hydrogen 2.570 N/A TYR 69.A N SER 66.A O no hydrogen 3.406 N/A MET 70.A N GLN 91.A O no hydrogen 2.842 N/A GLY 73.A N LEU 89.A O no hydrogen 2.701 N/A ASP 74.A N ASN 72.A OD1 no hydrogen 2.868 N/A PHE 76.A N GLY 87.A O no hydrogen 3.036 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 3.502 N/A THR 77.A OG1 ASP 75.A OD2 no hydrogen 2.837 N/A ILE 78.A N VAL 85.A O no hydrogen 2.931 N/A TYR 80.A N GLY 83.A O no hydrogen 3.120 N/A GLY 83.A N TYR 80.A O no hydrogen 2.710 N/A ARG 84.A NH2 GLN 110.A OE1 no hydrogen 2.744 N/A VAL 85.A N ILE 78.A O no hydrogen 3.119 N/A LYS 86.A N GLN 110.A O no hydrogen 3.159 N/A GLY 87.A N PHE 76.A O no hydrogen 2.868 N/A PHE 88.A N GLU 107.A O no hydrogen 3.123 N/A LEU 89.A N ASP 74.A O no hydrogen 2.750 N/A SER 90.A N PHE 105.A O no hydrogen 3.147 N/A SER 90.A OG GLU 107.A OE2 no hydrogen 2.668 N/A GLN 91.A N MET 70.A O no hydrogen 2.912 N/A ASP 92.A N GLN 103.A O no hydrogen 2.933 N/A SER 93.A N ASP 92.A OD1 no hydrogen 2.888 N/A VAL 94.A N VAL 101.A O no hydrogen 2.733 N/A THR 95.A N GLY 22.A O no hydrogen 2.877 N/A THR 95.A OG1 THR 100.A OG1 no hydrogen 2.825 N/A VAL 96.A N ILE 99.A O no hydrogen 2.826 N/A ILE 99.A N VAL 96.A O no hydrogen 3.153 N/A THR 100.A OG1 THR 95.A OG1 no hydrogen 2.825 N/A VAL 101.A N VAL 94.A O no hydrogen 2.950 N/A GLN 103.A N ASP 92.A O no hydrogen 2.731 N/A GLN 103.A NE2 THR 104.A O no hydrogen 3.144 N/A GLN 103.A NE2 THR 138.A O no hydrogen 2.852 N/A PHE 105.A N SER 90.A O no hydrogen 3.302 N/A GLY 106.A N LEU 41.A O no hydrogen 2.981 N/A GLU 107.A N PHE 88.A O no hydrogen 3.056 N/A VAL 108.A N VAL 43.A O no hydrogen 3.010 N/A THR 109.A N LYS 86.A O no hydrogen 2.978 N/A GLN 110.A N LYS 86.A O no hydrogen 3.139 N/A MET 117.A N LEU 113.A O no hydrogen 2.787 N/A LEU 118.A N PRO 115.A O no hydrogen 2.869 N/A ALA 119.A N PHE 116.A O no hydrogen 3.293 N/A GLN 120.A N GLN 16.A OE1 no hydrogen 2.759 N/A ASP 122.A N LYS 31.A O no hydrogen 2.862 N/A GLY 123.A N LYS 31.A O no hydrogen 3.111 N/A VAL 124.A N TRP 42.A O no hydrogen 3.279 N/A LEU 125.A N ILE 33.A O no hydrogen 3.069 N/A GLY 126.A N ASN 40.A O no hydrogen 2.767 N/A MET 127.A N ASP 35.A O no hydrogen 2.640 N/A GLY 128.A N SER 38.A O no hydrogen 2.721 N/A PHE 129.A N GLN 132.A OE1 no hydrogen 2.983 N/A GLN 132.A N PHE 129.A O no hydrogen 2.823 N/A ALA 133.A N PRO 130.A O no hydrogen 3.056 N/A VAL 134.A N ASN 40.A OD1 no hydrogen 2.860 N/A GLY 136.A N ALA 133.A O no hydrogen 3.224 N/A HIS 143.A N PRO 139.A O no hydrogen 3.085 N/A HIS 143.A ND1 GLN 103.A OE1 no hydrogen 2.745 N/A ILE 144.A N VAL 140.A O no hydrogen 3.034 N/A LEU 145.A N PHE 141.A O no hydrogen 2.838 N/A SER 146.A N ASP 142.A O no hydrogen 3.163 N/A GLN 147.A N HIS 143.A O no hydrogen 3.346 N/A GLN 147.A N ILE 144.A O no hydrogen 3.105 N/A GLN 147.A NE2 THR 100.A O no hydrogen 3.549 N/A GLY 148.A N LEU 145.A O no hydrogen 3.233 N/A LYS 151.A N LEU 3.A O no hydrogen 2.667 N/A GLU 152.A N GLY 173.A O no hydrogen 3.236 N/A PHE 155.A N PHE 318.A O no hydrogen 3.220 N/A SER 156.A N VAL 171.A O no hydrogen 2.789 N/A SER 156.A OG GLY 174.A O no hydrogen 2.732 N/A SER 156.A OG TYR 315.A OH no hydrogen 2.706 N/A VAL 157.A N THR 316.A O no hydrogen 2.854 N/A TYR 158.A N GLU 169.A O no hydrogen 3.005 N/A TYR 159.A OH THR 221.A O no hydrogen 2.656 N/A ASN 160.A N GLY 167.A O no hydrogen 2.774 N/A ASN 160.A ND2 LEU 166.A O no hydrogen 2.636 N/A ARG 161.A N ASN 160.A OD1 no hydrogen 2.688 N/A GLY 162.A N ASN 14.A OD1 no hydrogen 2.702 N/A LEU 166.A N HIS 164A.A O no hydrogen 2.161 N/A GLY 167.A N LEU 9.A O no hydrogen 3.252 N/A GLU 169.A N TYR 158.A O no hydrogen 2.793 N/A VAL 170.A N VAL 7.A O no hydrogen 2.831 N/A VAL 171.A N SER 156.A O no hydrogen 2.809 N/A LEU 172.A N SER 5.A O no hydrogen 2.780 N/A GLY 173.A N VAL 154.A O no hydrogen 2.812 N/A SER 175.A OG GLU 317.A OE2 no hydrogen 2.788 N/A ASP 176.A N TYR 315.A OH no hydrogen 3.011 N/A GLN 178.A N ASP 176.A OD1 no hydrogen 3.128 N/A HIS 179.A N ASP 176.A O no hydrogen 2.754 N/A GLN 181.A N LEU 329.A O no hydrogen 2.849 N/A HIS 185.A N PHE 327.A O no hydrogen 2.972 N/A HIS 185.A ND1 TYR 272.A OH no hydrogen 2.613 N/A TYR 186.A OH GLU 317.A OE1 no hydrogen 2.790 N/A VAL 187.A N ILE 325.A O no hydrogen 3.000 N/A LEU 189.A N ASN 323.A O no hydrogen 3.282 N/A SER 190.A N GLN 196.A O no hydrogen 2.815 N/A SER 190.A OG GLN 196.A O no hydrogen 3.344 N/A SER 190.A OG GLU 216.A OE1 no hydrogen 2.555 N/A THR 192.A OG1 ASP 193.A OD2 no hydrogen 3.545 N/A SER 194.A OG GLN 196.A OE1 no hydrogen 3.407 N/A TRP 195.A NE1 MET 127.A O no hydrogen 3.222 N/A GLN 196.A NE2 GLU 216.A OE1 no hydrogen 2.854 N/A ILE 197.A N VAL 217.A O no hydrogen 3.021 N/A THR 198.A OG1 GLU 216.A OE2 no hydrogen 2.852 N/A MET 199.A N CYS 215.A O no hydrogen 2.755 N/A LYS 200.A N ASN 266.A O no hydrogen 3.121 N/A VAL 202.A N LEU 210.A O no hydrogen 2.955 N/A SER 203.A N SER 264.A O no hydrogen 2.849 N/A GLY 205.A N ASP 262.A O no hydrogen 2.616 N/A THR 208.A OG1 THR 208.A O no hydrogen 2.032 N/A THR 208.A OG1 LEU 235.A O no hydrogen 3.556 N/A LEU 210.A N VAL 202.A O no hydrogen 3.028 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 3.290 N/A GLY 214.A N CYS 211.A O no hydrogen 2.785 N/A CYS 215.A N MET 199.A O no hydrogen 2.726 N/A CYS 215.A SG GLU 213.A OE2 no hydrogen 3.807 N/A VAL 217.A N ILE 197.A O no hydrogen 3.009 N/A VAL 218.A N TRP 304.A O no hydrogen 3.058 N/A VAL 219.A N TRP 195.A O no hydrogen 2.818 N/A ASP 220.A N LEU 306.A O no hydrogen 3.216 N/A THR 221.A N THR 36.A OG1 no hydrogen 3.191 N/A THR 221.A OG1 PHE 34.A O no hydrogen 2.572 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 3.041 N/A SER 223.A N ASP 220.A O no hydrogen 3.329 N/A SER 223.A OG PHE 225.A O no hydrogen 2.994 N/A SER 224.A OG SER 15.A O no hydrogen 2.861 N/A ILE 226.A N ALA 290.A O no hydrogen 3.239 N/A SER 227.A N VAL 305.A O no hydrogen 2.916 N/A ALA 228.A N HIS 292.A O no hydrogen 3.168 N/A THR 230.A N ASP 295.A OD1 no hydrogen 3.078 N/A THR 230.A OG1 ASP 295.A OD1 no hydrogen 3.532 N/A THR 230.A OG1 ASP 295.A OD2 no hydrogen 2.580 N/A LEU 233.A N PRO 229.A O no hydrogen 2.850 N/A LYS 234.A N THR 230.A O no hydrogen 2.963 N/A ILE 236.A N SER 232.A O no hydrogen 3.093 N/A MET 237.A N LEU 233.A O no hydrogen 3.205 N/A GLN 238.A N LYS 234.A O no hydrogen 3.281 N/A GLN 238.A NE2 LYS 234.A O no hydrogen 3.677 N/A ALA 239.A N LEU 235.A O no hydrogen 3.326 N/A LEU 240.A N ILE 236.A O no hydrogen 3.142 N/A GLY 241.A N GLN 238.A O no hydrogen 3.206 N/A ALA 242.A N MET 237.A O no hydrogen 2.817 N/A LYS 243.A N VAL 251.A O no hydrogen 3.018 N/A LYS 245.A N GLU 249.A O no hydrogen 2.710 N/A ARG 246.A NE GLU 249.A OE1 no hydrogen 2.668 N/A HIS 248.A N GLU 244.A OE2 no hydrogen 2.694 N/A GLU 249.A N ARG 246.A O no hydrogen 2.868 N/A VAL 251.A N LYS 243.A O no hydrogen 2.689 N/A VAL 252.A N CYS 287.A O no hydrogen 2.817 N/A SER 253.A OG SER 255.A OG no hydrogen 3.350 N/A SER 253.A OG LYS 285.A O no hydrogen 2.760 N/A CYS 254.A N LYS 285.A O no hydrogen 2.673 N/A SER 255.A OG SER 253.A OG no hydrogen 3.350 N/A GLN 256.A N SER 253.A O no hydrogen 3.034 N/A THR 259.A N GLN 256.A O no hydrogen 2.699 N/A THR 259.A OG1 GLN 256.A O no hydrogen 3.004 N/A LEU 260.A N VAL 257.A O no hydrogen 3.222 N/A ILE 263.A N LEU 274.A O no hydrogen 2.942 N/A SER 264.A N SER 203.A O no hydrogen 2.880 N/A SER 264.A OG THR 273.A OG1 no hydrogen 2.666 N/A PHE 265.A N TYR 272.A O no hydrogen 3.010 N/A ASN 266.A N GLY 201.A O no hydrogen 2.843 N/A LEU 267.A N ARG 270.A O no hydrogen 2.978 N/A ARG 270.A N LEU 267.A O no hydrogen 2.982 N/A TYR 272.A N PHE 265.A O no hydrogen 3.089 N/A TYR 272.A OH HIS 185.A ND1 no hydrogen 2.613 N/A THR 273.A OG1 SER 264.A OG no hydrogen 2.666 N/A LEU 274.A N ILE 263.A O no hydrogen 2.870 N/A SER 275.A N ASP 278.A OD2 no hydrogen 2.897 N/A SER 276.A OG VAL 257.A O no hydrogen 2.634 N/A THR 277.A N SER 275.A OG no hydrogen 3.311 N/A THR 277.A OG1 SER 275.A OG no hydrogen 3.137 N/A ASP 278.A N SER 275.A O no hydrogen 2.704 N/A TYR 279.A N SER 275.A O no hydrogen 3.148 N/A TYR 279.A OH PRO 261.A O no hydrogen 2.412 N/A VAL 280.A N SER 276.A O no hydrogen 3.094 N/A LEU 281.A N THR 288.A O no hydrogen 2.894 N/A CYS 287.A N VAL 252.A O no hydrogen 2.848 N/A CYS 287.A SG LEU 281.A O no hydrogen 3.440 N/A CYS 287.A SG GLN 282.A O no hydrogen 3.907 N/A VAL 289.A N TYR 250.A O no hydrogen 2.975 N/A ALA 290.A N TYR 279.A O no hydrogen 2.805 N/A HIS 292.A N ILE 226.A O no hydrogen 2.887 N/A MET 294.A N ALA 228.A O no hydrogen 2.895 N/A GLY 301.A N PRO 297.A O no hydrogen 2.927 N/A TRP 304.A N GLU 216.A O no hydrogen 2.865 N/A VAL 305.A N SER 227.A O no hydrogen 2.807 N/A LEU 306.A N VAL 218.A O no hydrogen 3.155 N/A ALA 308.A N SER 223.A O no hydrogen 2.838 N/A THR 309.A OG1 SER 224.A O no hydrogen 3.544 N/A THR 309.A OG1 ALA 290.A O no hydrogen 2.937 N/A PHE 310.A N GLY 307.A O no hydrogen 2.969 N/A ILE 311.A N GLY 307.A O no hydrogen 3.285 N/A ARG 312.A N ALA 308.A O no hydrogen 3.074 N/A ARG 312.A NH1 ASN 14.A O no hydrogen 2.987 N/A ARG 312.A NH1 TYR 17.A OH no hydrogen 2.948 N/A LYS 313.A N PHE 310.A O no hydrogen 3.195 N/A LYS 313.A NZ THR 273.A O no hydrogen 2.999 N/A LYS 313.A NZ ASP 278.A OD2 no hydrogen 3.449 N/A PHE 314.A N PHE 310.A O no hydrogen 3.227 N/A TYR 315.A OH SER 156.A OG no hydrogen 2.706 N/A THR 316.A N VAL 157.A O no hydrogen 3.139 N/A THR 316.A OG1 PHE 314.A O no hydrogen 2.996 N/A GLU 317.A N GLY 326.A O no hydrogen 2.883 N/A PHE 318.A N PHE 155.A O no hydrogen 2.839 N/A ASP 319.A N ARG 324.A O no hydrogen 2.962 N/A ARG 320.A N LYS 153.A O no hydrogen 3.002 N/A ARG 320.A NH1 ASP 142.A OD1 no hydrogen 3.065 N/A ARG 320.A NH1 ASP 142.A OD2 no hydrogen 3.395 N/A ARG 320.A NH2 ASP 142.A OD2 no hydrogen 2.788 N/A ASN 322.A N ASP 319.A OD1 no hydrogen 3.017 N/A ARG 324.A N ASP 319.A O no hydrogen 3.316 N/A ARG 324.A NH1 ASP 319.A OD2 no hydrogen 3.172 N/A ILE 325.A N VAL 187.A O no hydrogen 3.011 N/A GLY 326.A N GLU 317.A O no hydrogen 3.052 N/A PHE 327.A N HIS 185.A O no hydrogen 2.995 N/A ALA 328.A N TYR 315.A O no hydrogen 3.190 N/A ALA 330.A N LYS 313.A O no hydrogen 3.089 N/A ARG 331.A N HIS 179.A O no hydrogen 3.001 N/A TYR 52B.A N SER 49.A O no hydrogen 2.921 N/A