Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N PHE 13.A O no hydrogen 2.696 N/A ARG 7.A NH2 GLU 150.A OE2 no hydrogen 3.093 N/A TYR 8.A N VAL 11.A O no hydrogen 2.762 N/A TYR 8.A OH GLU 27.A OE2 no hydrogen 2.366 N/A LYS 9.A NZ TYR 8.A OH no hydrogen 3.121 N/A LYS 9.A NZ GLU 27.A OE2 no hydrogen 3.101 N/A VAL 11.A N TYR 8.A O no hydrogen 2.996 N/A PHE 13.A N PHE 6.A O no hydrogen 2.687 N/A VAL 15.A N GLU 4.A O no hydrogen 2.727 N/A SER 19.A N SER 22.A OG no hydrogen 2.866 N/A SER 19.A OG SER 22.A OG no hydrogen 3.057 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.705 N/A SER 22.A N SER 19.A OG no hydrogen 3.223 N/A SER 22.A OG SER 19.A O no hydrogen 2.889 N/A SER 22.A OG SER 19.A OG no hydrogen 3.057 N/A ILE 23.A N SER 19.A O no hydrogen 3.252 N/A SER 24.A N LEU 20.A O no hydrogen 3.086 N/A LEU 25.A N GLU 21.A O no hydrogen 3.072 N/A ALA 26.A N SER 22.A O no hydrogen 3.047 N/A GLU 27.A N ILE 23.A O no hydrogen 2.845 N/A ASN 28.A N SER 24.A O no hydrogen 2.795 N/A ASN 28.A ND2 SER 24.A O no hydrogen 3.108 N/A ASN 28.A ND2 SER 24.A OG no hydrogen 3.241 N/A GLN 30.A NE2 ASN 28.A O no hydrogen 3.451 N/A ASP 31.A N THR 29.A OG1 no hydrogen 3.006 N/A VAL 32.A N GLN 30.A O no hydrogen 2.717 N/A ARG 33.A N ASP 36.A OD1 no hydrogen 3.018 N/A ARG 33.A NE ASP 31.A OD1 no hydrogen 2.826 N/A ARG 33.A NH1 SER 85.A OG no hydrogen 3.001 N/A ARG 33.A NH2 ASP 31.A OD1 no hydrogen 3.240 N/A ARG 33.A NH2 ASP 31.A OD2 no hydrogen 2.923 N/A ASP 36.A N ARG 33.A O no hydrogen 2.791 N/A ILE 37.A N ARG 87.A O no hydrogen 2.791 N/A PHE 38.A N LYS 108.A O no hydrogen 3.015 N/A ILE 39.A N MET 89.A O no hydrogen 2.853 N/A ILE 40.A N ILE 110.A O no hydrogen 3.028 N/A THR 41.A N SER 91.A O no hydrogen 3.091 N/A THR 41.A OG1 THR 47.A OG1 no hydrogen 2.579 N/A TYR 42.A OH GLY 154.A O no hydrogen 2.948 N/A SER 45.A OG TYR 42.A O no hydrogen 2.884 N/A THR 47.A OG1 THR 41.A OG1 no hydrogen 2.579 N/A THR 48.A OG1 TYR 224.A OH no hydrogen 2.556 N/A MET 50.A N GLY 46.A O no hydrogen 3.439 N/A ILE 51.A N THR 47.A O no hydrogen 2.755 N/A GLU 52.A N THR 48.A O no hydrogen 3.035 N/A GLU 52.A N TRP 49.A O no hydrogen 3.191 N/A ILE 53.A N TRP 49.A O no hydrogen 3.069 N/A ILE 54.A N MET 50.A O no hydrogen 2.973 N/A CYS 55.A SG ILE 51.A O no hydrogen 3.042 N/A LEU 56.A N GLU 52.A O no hydrogen 3.068 N/A ILE 57.A N ILE 53.A O no hydrogen 3.087 N/A LEU 58.A N ILE 54.A O no hydrogen 2.842 N/A LYS 59.A N CYS 55.A O no hydrogen 3.241 N/A GLU 60.A N ILE 57.A O no hydrogen 2.843 N/A GLY 61.A N LEU 56.A O no hydrogen 2.768 N/A ASP 62.A N LYS 59.A O no hydrogen 2.751 N/A SER 64.A N ASP 62.A OD1 no hydrogen 2.955 N/A ARG 67.A N PRO 63.A O no hydrogen 2.934 N/A ARG 67.A N SER 64.A O no hydrogen 3.182 N/A SER 68.A N SER 64.A O no hydrogen 3.033 N/A SER 68.A OG SER 64.A O no hydrogen 2.641 N/A SER 68.A OG TRP 65.A O no hydrogen 3.033 N/A VAL 69.A N TRP 65.A O no hydrogen 2.953 N/A ARG 74.A N ILE 71.A O no hydrogen 3.084 N/A ARG 74.A NE VAL 69.A O no hydrogen 3.264 N/A ARG 74.A NH2 ILE 66.A O no hydrogen 2.892 N/A ARG 74.A NH2 SER 222.A OG no hydrogen 2.880 N/A ALA 75.A N ILE 71.A O no hydrogen 3.360 N/A CYS 78.A N SER 90.A O no hydrogen 3.076 N/A CYS 78.A SG SER 90.A O no hydrogen 3.724 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.408 N/A THR 80.A OG1 TRP 77.A O no hydrogen 2.515 N/A ILE 81.A N LEU 17.A O no hydrogen 2.688 N/A ARG 87.A NE ASP 36.A OD1 no hydrogen 3.225 N/A ARG 87.A NE ASP 36.A OD2 no hydrogen 3.292 N/A ARG 87.A NH2 ASP 31.A O no hydrogen 2.736 N/A ARG 87.A NH2 ASP 36.A OD1 no hydrogen 2.593 N/A MET 89.A N ILE 37.A O no hydrogen 2.794 N/A SER 90.A N PRO 76.A O no hydrogen 3.136 N/A SER 90.A OG ALA 75.A O no hydrogen 3.124 N/A SER 91.A N ILE 39.A O no hydrogen 2.658 N/A SER 91.A OG GLU 79.A OE1 no hydrogen 2.581 N/A SER 91.A OG GLU 79.A OE2 no hydrogen 2.791 N/A HIS 92.A N GLU 79.A OE2 no hydrogen 2.594 N/A HIS 92.A ND1 THR 41.A O no hydrogen 2.672 N/A LEU 93.A N SER 91.A OG no hydrogen 3.425 N/A GLN 96.A N GLN 96.A OE1 no hydrogen 3.139 N/A ILE 97.A N PRO 94.A O no hydrogen 2.745 N/A PHE 98.A N PRO 94.A O no hydrogen 3.201 N/A THR 99.A OG1 ALA 26.A O no hydrogen 2.665 N/A LYS 100.A N GLU 27.A O no hydrogen 2.864 N/A LYS 100.A NZ GLU 27.A OE1 no hydrogen 3.098 N/A LYS 100.A NZ ASN 28.A OD1 no hydrogen 3.114 N/A PHE 102.A N THR 99.A O no hydrogen 3.041 N/A SER 104.A OG ALA 101.A O no hydrogen 3.514 N/A SER 105.A N PHE 102.A O no hydrogen 2.523 N/A SER 105.A OG ALA 101.A O no hydrogen 3.495 N/A SER 105.A OG PHE 102.A O no hydrogen 2.482 N/A LYS 108.A N ASP 36.A O no hydrogen 3.261 N/A VAL 109.A N ASN 171.A O no hydrogen 3.150 N/A ILE 110.A N PHE 38.A O no hydrogen 3.013 N/A TYR 111.A N LEU 173.A O no hydrogen 2.778 N/A TYR 111.A OH HIS 159.A ND1 no hydrogen 2.565 N/A MET 112.A N ILE 40.A O no hydrogen 3.025 N/A GLY 113.A N ILE 175.A O no hydrogen 2.792 N/A ARG 114.A NH1 LYS 44.A O no hydrogen 3.003 N/A ARG 114.A NH2 VAL 244.A O no hydrogen 3.256 N/A ASN 115.A N GLU 178.A OE1 no hydrogen 3.056 N/A ARG 117.A N ASN 115.A OD1 no hydrogen 2.560 N/A ARG 117.A NH2 ASP 261.A OD1 no hydrogen 2.791 N/A VAL 119.A N ASN 115.A O no hydrogen 3.166 N/A VAL 120.A N PRO 116.A O no hydrogen 3.216 N/A VAL 120.A N ARG 117.A O no hydrogen 2.913 N/A VAL 121.A N ARG 117.A O no hydrogen 3.154 N/A SER 122.A N ASP 118.A O no hydrogen 2.704 N/A LEU 123.A N VAL 119.A O no hydrogen 2.975 N/A TYR 124.A N VAL 120.A O no hydrogen 2.755 N/A HIS 125.A N VAL 121.A O no hydrogen 3.212 N/A HIS 125.A NE2 HIS 251.A NE2 no hydrogen 2.872 N/A TYR 126.A N SER 122.A O no hydrogen 3.224 N/A SER 127.A N LEU 123.A O no hydrogen 2.875 N/A SER 127.A OG LEU 123.A O no hydrogen 2.736 N/A LYS 128.A N HIS 125.A O no hydrogen 2.826 N/A LYS 128.A NZ TYR 124.A OH no hydrogen 3.383 N/A ILE 129.A N TYR 126.A O no hydrogen 2.692 N/A ALA 130.A N SER 127.A O no hydrogen 3.416 N/A GLY 131.A N LEU 231.A O no hydrogen 3.079 N/A GLN 132.A N GLN 132.A OE1 no hydrogen 2.633 N/A GLN 132.A NE2 TYR 126.A OH no hydrogen 3.004 N/A GLN 141.A NE2 ASP 145.A OD2 no hydrogen 3.373 N/A PHE 142.A N THR 138.A O no hydrogen 2.831 N/A LEU 143.A N PRO 139.A O no hydrogen 2.829 N/A ARG 144.A N ASP 140.A O no hydrogen 2.681 N/A ASP 145.A N GLN 141.A O no hydrogen 3.017 N/A PHE 146.A N PHE 142.A O no hydrogen 3.047 N/A LEU 147.A N LEU 143.A O no hydrogen 3.171 N/A LYS 148.A N ARG 144.A O no hydrogen 3.050 N/A GLY 149.A N PHE 146.A O no hydrogen 2.970 N/A GLU 150.A N ASP 145.A O no hydrogen 2.680 N/A GLN 152.A N TYR 5.A OH no hydrogen 3.328 N/A PHE 153.A N PRO 12.A O no hydrogen 2.724 N/A GLY 154.A N VAL 151.A O no hydrogen 2.877 N/A ASP 158.A N SER 155.A OG no hydrogen 2.678 N/A HIS 159.A N SER 155.A O no hydrogen 3.149 N/A HIS 159.A ND1 TYR 111.A OH no hydrogen 2.565 N/A HIS 159.A NE2 HIS 92.A O no hydrogen 3.087 N/A ILE 160.A N TRP 156.A O no hydrogen 3.099 N/A LYS 161.A N PHE 157.A O no hydrogen 2.970 N/A LYS 161.A NZ GLN 267.A O no hydrogen 2.894 N/A LYS 161.A NZ GLN 267.A OE1 no hydrogen 3.392 N/A GLY 162.A N ASP 158.A O no hydrogen 2.690 N/A TRP 163.A N HIS 159.A O no hydrogen 2.996 N/A TRP 163.A NE1 LEU 93.A O no hydrogen 3.096 N/A LEU 164.A N ILE 160.A O no hydrogen 3.069 N/A ARG 165.A N GLY 162.A O no hydrogen 2.895 N/A MET 166.A N TRP 163.A O no hydrogen 2.911 N/A LYS 167.A N LEU 164.A O no hydrogen 2.814 N/A LYS 169.A N MET 166.A O no hydrogen 3.050 N/A ASN 171.A ND2 ALA 107.A O no hydrogen 3.106 N/A LEU 173.A N VAL 109.A O no hydrogen 2.836 N/A ILE 175.A N TYR 111.A O no hydrogen 2.840 N/A THR 176.A N GLU 179.A OE1 no hydrogen 2.508 N/A THR 176.A OG1 GLU 179.A OE1 no hydrogen 2.442 N/A TYR 177.A N GLY 113.A O no hydrogen 2.905 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.374 N/A GLU 179.A N THR 176.A O no hydrogen 2.937 N/A LEU 180.A N THR 176.A O no hydrogen 3.379 N/A GLN 181.A N TYR 177.A O no hydrogen 2.887 N/A GLN 181.A NE2 TYR 177.A OH no hydrogen 3.097 N/A GLN 181.A NE2 GLY 243.A O no hydrogen 2.765 N/A GLN 182.A N GLU 178.A O no hydrogen 2.652 N/A ASP 183.A N GLU 179.A O no hydrogen 2.809 N/A GLN 185.A NE2 GLU 189.A OE2 no hydrogen 3.530 N/A GLY 186.A N ASP 183.A OD1 no hydrogen 2.928 N/A SER 187.A N ASP 183.A O no hydrogen 3.011 N/A SER 187.A OG ASP 183.A O no hydrogen 2.732 N/A VAL 188.A N LEU 184.A O no hydrogen 2.799 N/A GLU 189.A N GLN 185.A O no hydrogen 3.092 N/A ARG 190.A N GLY 186.A O no hydrogen 3.012 N/A ARG 190.A NH1 GLU 179.A OE2 no hydrogen 2.872 N/A ILE 191.A N SER 187.A O no hydrogen 2.709 N/A CYS 192.A N VAL 188.A O no hydrogen 2.762 N/A CYS 192.A SG VAL 188.A O no hydrogen 3.434 N/A CYS 192.A SG ARG 197.A O no hydrogen 3.200 N/A GLY 193.A N GLU 189.A O no hydrogen 2.565 N/A PHE 194.A N ARG 190.A O no hydrogen 2.815 N/A LEU 195.A N ILE 191.A O no hydrogen 3.353 N/A LEU 195.A N CYS 192.A O no hydrogen 2.788 N/A GLY 196.A N GLY 193.A O no hydrogen 3.032 N/A ARG 197.A N CYS 192.A O no hydrogen 3.278 N/A LEU 204.A N GLY 200.A O no hydrogen 2.992 N/A GLY 205.A N LYS 201.A O no hydrogen 2.771 N/A SER 206.A N GLU 202.A O no hydrogen 3.032 N/A SER 206.A N ALA 203.A O no hydrogen 2.863 N/A SER 206.A OG GLY 61.A O no hydrogen 2.781 N/A VAL 207.A N ALA 203.A O no hydrogen 3.043 N/A VAL 208.A N LEU 204.A O no hydrogen 2.864 N/A ALA 209.A N GLY 205.A O no hydrogen 3.106 N/A HIS 210.A N SER 206.A O no hydrogen 2.793 N/A SER 211.A N VAL 208.A O no hydrogen 3.080 N/A SER 211.A OG VAL 207.A O no hydrogen 2.902 N/A THR 212.A N ALA 209.A O no hydrogen 3.437 N/A THR 212.A OG1 VAL 208.A O no hydrogen 3.197 N/A THR 212.A OG1 ALA 209.A O no hydrogen 3.330 N/A MET 216.A N THR 212.A O no hydrogen 3.003 N/A LYS 217.A N PHE 213.A O no hydrogen 2.870 N/A LYS 217.A NZ LEU 240.A O no hydrogen 3.037 N/A LYS 217.A NZ ARG 241.A O no hydrogen 3.460 N/A ALA 218.A N ALA 215.A O no hydrogen 2.756 N/A ASN 219.A N MET 216.A O no hydrogen 2.875 N/A ASN 219.A ND2 ILE 66.A O no hydrogen 2.724 N/A ASN 219.A ND2 SER 222.A OG no hydrogen 3.213 N/A SER 222.A N ASN 219.A O no hydrogen 2.495 N/A SER 222.A OG GLU 52.A OE1 no hydrogen 3.230 N/A SER 222.A OG GLU 52.A OE2 no hydrogen 2.924 N/A ASN 223.A N ASN 219.A O no hydrogen 3.086 N/A ASN 223.A ND2 THR 225.A OG1 no hydrogen 2.426 N/A TYR 224.A OH THR 48.A OG1 no hydrogen 2.556 N/A LEU 227.A N TYR 224.A O no hydrogen 3.043 N/A LEU 232.A N PRO 229.A O no hydrogen 3.275 N/A ASP 233.A N ILE 129.A O no hydrogen 2.872 N/A HIS 234.A NE2 LEU 227.A O no hydrogen 2.904 N/A ARG 236.A N ASP 233.A O no hydrogen 2.976 N/A ARG 241.A NH1 ASP 247.A OD1 no hydrogen 2.963 N/A ARG 241.A NH2 ASP 247.A OD1 no hydrogen 2.850 N/A GLY 246.A N ASP 118.A OD2 no hydrogen 3.218 N/A TRP 248.A N ASP 118.A OD1 no hydrogen 2.958 N/A LYS 249.A N GLY 246.A O no hydrogen 3.359 N/A ASN 250.A N ASP 247.A O no hydrogen 3.036 N/A ASN 250.A ND2 ASP 247.A OD2 no hydrogen 3.428 N/A HIS 251.A N TRP 248.A O no hydrogen 2.890 N/A HIS 251.A ND1 ASP 247.A O no hydrogen 2.925 N/A HIS 251.A NE2 HIS 125.A NE2 no hydrogen 2.872 N/A PHE 252.A N TRP 248.A O no hydrogen 3.001 N/A THR 253.A N GLN 256.A OE1 no hydrogen 2.782 N/A GLN 256.A N THR 253.A OG1 no hydrogen 3.249 N/A GLN 256.A NE2 ASP 140.A OD2 no hydrogen 2.729 N/A SER 257.A N THR 253.A O no hydrogen 2.749 N/A GLU 258.A N VAL 254.A O no hydrogen 2.678 N/A GLU 258.A N ALA 255.A O no hydrogen 3.253 N/A ALA 259.A N ALA 255.A O no hydrogen 3.007 N/A PHE 260.A N GLN 256.A O no hydrogen 2.783 N/A ASP 261.A N SER 257.A O no hydrogen 3.354 N/A ARG 262.A N GLU 258.A O no hydrogen 2.937 N/A ALA 263.A N ALA 259.A O no hydrogen 2.960 N/A TYR 264.A N PHE 260.A O no hydrogen 2.658 N/A TYR 264.A OH ASP 277.A OD1 no hydrogen 2.709 N/A TYR 264.A OH ASP 277.A OD2 no hydrogen 3.241 N/A ARG 265.A N ASP 261.A O no hydrogen 2.760 N/A LYS 266.A N ARG 262.A O no hydrogen 3.050 N/A GLN 267.A N TYR 264.A O no hydrogen 3.149 N/A MET 268.A N TYR 264.A O no hydrogen 2.905 N/A MET 271.A N MET 268.A O no hydrogen 3.098 N/A PHE 274.A N ASP 277.A OD2 no hydrogen 2.737 N/A ASP 277.A N PHE 274.A O no hydrogen 2.963 N/A