Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cxm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 18.A O no hydrogen 2.882 N/A SER 5.A OG SER 17.A OG no hydrogen 2.536 N/A GLU 6.A N PHE 16.A O no hydrogen 2.817 N/A MET 10.A N SER 8.A OG no hydrogen 2.971 N/A TRP 11.A N SER 8.A O no hydrogen 3.089 N/A SER 17.A OG SER 5.A OG no hydrogen 2.536 N/A LEU 18.A N PHE 4.A O no hydrogen 2.906 N/A ILE 20.A N LYS 2.A O no hydrogen 2.909 N/A LYS 21.A N GLU 38.A O no hydrogen 2.761 N/A LYS 22.A N GLU 38.A O no hydrogen 3.171 N/A LEU 24.A N VAL 36.A O no hydrogen 2.854 N/A TYR 25.A N VAL 36.A O no hydrogen 3.129 N/A THR 27.A N VAL 34.A O no hydrogen 2.989 N/A SER 29.A N GLN 32.A O no hydrogen 2.825 N/A SER 29.A OG GLN 32.A O no hydrogen 3.125 N/A SER 29.A OG ASP 109.A OD1 no hydrogen 3.483 N/A SER 29.A OG ASP 109.A OD2 no hydrogen 2.593 N/A LYS 30.A NZ TYR 31.A OH no hydrogen 3.291 N/A TYR 31.A N SER 29.A OG no hydrogen 3.117 N/A GLN 32.A N SER 29.A OG no hydrogen 3.122 N/A GLN 32.A NE2 ASP 109.A OD2 no hydrogen 2.848 N/A ASN 33.A N ASP 49.A OD1 no hydrogen 2.848 N/A VAL 34.A N THR 27.A O no hydrogen 2.811 N/A LEU 35.A N VAL 47.A O no hydrogen 2.884 N/A VAL 36.A N TYR 25.A O no hydrogen 2.758 N/A PHE 37.A N VAL 45.A O no hydrogen 3.111 N/A GLU 38.A N LYS 22.A O no hydrogen 2.801 N/A SER 39.A N GLY 43.A O no hydrogen 2.868 N/A SER 39.A OG GLY 43.A O no hydrogen 2.675 N/A THR 40.A N LYS 19.A O no hydrogen 2.983 N/A TYR 42.A N SER 39.A OG no hydrogen 2.806 N/A LYS 44.A N GLU 56.A OE1 no hydrogen 2.835 N/A LYS 44.A NZ TYR 119.A O no hydrogen 2.584 N/A VAL 45.A N PHE 37.A O no hydrogen 2.801 N/A LEU 46.A N LEU 54.A O no hydrogen 3.003 N/A VAL 47.A N LEU 35.A O no hydrogen 2.740 N/A LEU 48.A N VAL 51.A O no hydrogen 2.966 N/A ASP 49.A N ASN 33.A O no hydrogen 2.849 N/A VAL 51.A N LEU 48.A O no hydrogen 2.874 N/A ILE 52.A N GLU 6.A OE2 no hydrogen 2.764 N/A GLN 53.A N LEU 46.A O no hydrogen 2.845 N/A THR 55.A OG1 ASP 58.A OD1 no hydrogen 2.867 N/A GLU 56.A N LYS 44.A O no hydrogen 3.066 N/A LYS 57.A N TYR 42.A O no hydrogen 3.207 N/A LYS 57.A N THR 55.A OG1 no hydrogen 3.275 N/A ASP 58.A N THR 55.A OG1 no hydrogen 3.425 N/A GLU 59.A N THR 55.A O no hydrogen 3.027 N/A ALA 61.A N ASP 58.A O no hydrogen 3.041 N/A TYR 62.A OH ASP 156.A OD1 no hydrogen 2.622 N/A HIS 63.A N GLU 59.A O no hydrogen 3.040 N/A HIS 63.A ND1 GLU 59.A OE1 no hydrogen 2.579 N/A GLU 64.A N PHE 60.A O no hydrogen 2.940 N/A MET 65.A N ALA 61.A O no hydrogen 3.197 N/A MET 66.A N TYR 62.A O no hydrogen 3.012 N/A THR 67.A N HIS 63.A O no hydrogen 3.116 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.781 N/A HIS 68.A N GLU 64.A O no hydrogen 2.847 N/A HIS 68.A ND1 TYR 97.A OH no hydrogen 2.825 N/A HIS 68.A NE2 GLU 93.A OE1 no hydrogen 2.889 N/A VAL 69.A N MET 65.A O no hydrogen 3.347 N/A MET 71.A N THR 67.A O no hydrogen 3.074 N/A THR 72.A N HIS 68.A O no hydrogen 2.913 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.616 N/A THR 72.A OG1 VAL 69.A O no hydrogen 3.123 N/A THR 72.A OG1 TYR 259.A OH no hydrogen 3.269 N/A VAL 73.A N PRO 70.A O no hydrogen 3.221 N/A SER 74.A N PRO 70.A O no hydrogen 2.896 N/A LYS 78.A N ASP 151.A OD2 no hydrogen 2.596 N/A LYS 78.A NZ GLU 101.A OE2 no hydrogen 2.954 N/A ASN 79.A N ASP 151.A OD2 no hydrogen 2.983 N/A ASN 79.A ND2 THR 149.A O no hydrogen 3.436 N/A VAL 80.A N ASN 102.A O no hydrogen 3.042 N/A LEU 81.A N VAL 152.A O no hydrogen 3.072 N/A VAL 82.A N ASP 104.A O no hydrogen 2.834 N/A VAL 83.A N ILE 154.A O no hydrogen 2.817 N/A GLY 84.A N CYS 106.A O no hydrogen 2.755 N/A GLY 85.A N ASP 156.A O no hydrogen 2.942 N/A GLY 86.A N GLU 107.A OE1 no hydrogen 2.896 N/A GLY 88.A N GLY 85.A O no hydrogen 2.808 N/A GLY 89.A N ASP 87.A OD2 no hydrogen 2.779 N/A ARG 92.A N GLY 88.A O no hydrogen 2.823 N/A ARG 92.A NE GLU 93.A OE2 no hydrogen 3.111 N/A ARG 92.A NH1 GLU 59.A OE1 no hydrogen 3.541 N/A ARG 92.A NH1 GLU 59.A OE2 no hydrogen 2.902 N/A ARG 92.A NH1 ASN 122.A O no hydrogen 3.147 N/A ARG 92.A NH2 GLU 59.A OE1 no hydrogen 2.993 N/A ARG 92.A NH2 GLU 59.A OE2 no hydrogen 3.471 N/A ARG 92.A NH2 GLU 93.A OE2 no hydrogen 2.847 N/A GLU 93.A N GLY 89.A O no hydrogen 3.236 N/A LEU 94.A N ILE 90.A O no hydrogen 2.841 N/A CYS 95.A N ILE 91.A O no hydrogen 2.946 N/A CYS 95.A SG ILE 91.A O no hydrogen 3.303 N/A CYS 95.A SG GLY 126.A O no hydrogen 4.035 N/A LYS 96.A N GLU 93.A O no hydrogen 3.253 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 2.443 N/A LYS 96.A NZ GLU 93.A OE2 no hydrogen 3.145 N/A LYS 96.A NZ ASP 255.A OD1 no hydrogen 3.421 N/A TYR 97.A N LEU 94.A O no hydrogen 3.136 N/A TYR 97.A OH HIS 68.A ND1 no hydrogen 2.825 N/A LYS 98.A NZ GLU 252.A OE2 no hydrogen 2.741 N/A SER 99.A OG GLU 76.A OE1 no hydrogen 3.370 N/A SER 99.A OG PRO 77.A O no hydrogen 3.520 N/A VAL 100.A N TYR 97.A O no hydrogen 3.232 N/A GLU 101.A N LYS 78.A O no hydrogen 2.895 N/A ASN 102.A N LYS 78.A O no hydrogen 3.041 N/A ASN 102.A ND2 ASN 133.A OD1 no hydrogen 2.992 N/A ILE 103.A N ARG 131.A O no hydrogen 2.874 N/A ASP 104.A N VAL 80.A O no hydrogen 2.961 N/A ILE 105.A N ASN 133.A O no hydrogen 2.858 N/A CYS 106.A N VAL 82.A O no hydrogen 2.953 N/A CYS 106.A SG GLU 137.A O no hydrogen 3.266 N/A GLU 107.A N PHE 135.A O no hydrogen 2.979 N/A ASP 109.A N GLU 107.A OE2 no hydrogen 2.730 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.096 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 3.363 N/A VAL 112.A N ASP 109.A O no hydrogen 2.931 N/A GLU 114.A N GLU 110.A O no hydrogen 3.134 N/A VAL 115.A N THR 111.A O no hydrogen 2.840 N/A SER 116.A N VAL 112.A O no hydrogen 2.955 N/A SER 116.A OG ASP 87.A O no hydrogen 2.632 N/A LYS 117.A N ILE 113.A O no hydrogen 2.900 N/A ILE 118.A N GLU 114.A O no hydrogen 3.103 N/A TYR 119.A N VAL 115.A O no hydrogen 2.711 N/A PHE 120.A N SER 116.A O no hydrogen 2.896 N/A ILE 123.A N PHE 120.A O no hydrogen 2.940 N/A SER 124.A N PHE 120.A O no hydrogen 2.942 N/A SER 124.A OG SER 116.A O no hydrogen 2.884 N/A SER 124.A OG PHE 120.A O no hydrogen 2.946 N/A CYS 125.A SG ASN 122.A O no hydrogen 3.767 N/A TYR 127.A N SER 124.A O no hydrogen 3.237 N/A TYR 127.A OH GLY 86.A O no hydrogen 2.643 N/A GLU 128.A N CYS 125.A O no hydrogen 3.235 N/A ASP 129.A N GLY 126.A O no hydrogen 3.070 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.952 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.743 N/A ARG 131.A NH1 TYR 97.A O no hydrogen 2.879 N/A ARG 131.A NH1 VAL 100.A O no hydrogen 2.878 N/A ARG 131.A NH2 CYS 95.A O no hydrogen 2.963 N/A ARG 131.A NH2 ASP 129.A OD1 no hydrogen 3.558 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 2.832 N/A VAL 132.A N ASP 129.A O no hydrogen 3.160 N/A ASN 133.A N ILE 103.A O no hydrogen 2.794 N/A PHE 135.A N ILE 105.A O no hydrogen 2.818 N/A GLU 137.A N GLU 107.A O no hydrogen 3.058 N/A SER 140.A N ASP 138.A OD1 no hydrogen 2.958 N/A LYS 141.A N ASP 138.A O no hydrogen 3.026 N/A PHE 142.A N ASP 138.A O no hydrogen 3.050 N/A LEU 143.A N ALA 139.A O no hydrogen 2.865 N/A ASN 145.A N LYS 141.A O no hydrogen 3.175 N/A ASN 145.A N PHE 142.A O no hydrogen 3.018 N/A TYR 150.A N ALA 179.A O no hydrogen 2.825 N/A TYR 150.A OH ASP 104.A OD2 no hydrogen 2.631 N/A ASP 151.A N ASN 79.A O no hydrogen 2.858 N/A ILE 153.A N TYR 185.A O no hydrogen 2.959 N/A ILE 154.A N LEU 81.A O no hydrogen 2.944 N/A VAL 155.A N VAL 187.A O no hydrogen 2.834 N/A ASP 156.A N VAL 83.A O no hydrogen 2.841 N/A SER 157.A OG SER 158.A O no hydrogen 2.990 N/A GLU 165.A N GLY 162.A O no hydrogen 3.005 N/A THR 166.A OG1 ASP 138.A OD1 no hydrogen 3.310 N/A LEU 167.A N ALA 164.A O no hydrogen 2.906 N/A ASN 169.A ND2 THR 166.A O no hydrogen 3.126 N/A ASN 171.A ND2 GLU 174.A OE2 no hydrogen 3.272 N/A PHE 172.A N ASN 169.A O no hydrogen 3.244 N/A PHE 172.A N ASN 169.A OD1 no hydrogen 2.947 N/A TYR 173.A N ASN 169.A O no hydrogen 3.358 N/A GLU 174.A N GLN 170.A O no hydrogen 2.988 N/A LYS 175.A N ASN 171.A O no hydrogen 3.184 N/A LYS 175.A NZ SER 140.A O no hydrogen 2.869 N/A LYS 175.A NZ SER 140.A OG no hydrogen 3.194 N/A ILE 176.A N PHE 172.A O no hydrogen 2.979 N/A TYR 177.A N TYR 173.A O no hydrogen 2.979 N/A ASN 178.A N GLU 174.A O no hydrogen 2.989 N/A ALA 179.A N LYS 175.A O no hydrogen 3.018 N/A ALA 179.A N ILE 176.A O no hydrogen 3.052 N/A LEU 180.A N TYR 177.A O no hydrogen 3.142 N/A LYS 181.A N TYR 150.A O no hydrogen 2.913 N/A LYS 181.A NZ THR 149.A O no hydrogen 3.011 N/A LYS 181.A NZ THR 149.A OG1 no hydrogen 2.778 N/A GLY 184.A N LYS 181.A O no hydrogen 3.151 N/A TYR 185.A N ASP 151.A O no hydrogen 3.092 N/A CYS 186.A N CYS 234.A O no hydrogen 3.146 N/A CYS 186.A SG ILE 153.A O no hydrogen 3.610 N/A CYS 186.A SG VAL 187.A O no hydrogen 3.708 N/A VAL 187.A N ILE 153.A O no hydrogen 3.055 N/A ALA 188.A N LEU 232.A O no hydrogen 2.877 N/A GLN 189.A N VAL 155.A O no hydrogen 3.036 N/A GLN 189.A NE2 SER 157.A O no hydrogen 3.008 N/A GLN 189.A NE2 SER 158.A O no hydrogen 3.508 N/A CYS 190.A N GLY 230.A O no hydrogen 2.745 N/A TRP 194.A N SER 192.A OG no hydrogen 3.265 N/A ILE 195.A N SER 192.A O no hydrogen 3.164 N/A HIS 196.A N GLU 191.A OE2 no hydrogen 2.886 N/A VAL 197.A N ILE 195.A O no hydrogen 3.125 N/A ILE 200.A N HIS 196.A O no hydrogen 3.334 N/A LYS 201.A N VAL 197.A O no hydrogen 2.878 N/A LYS 201.A NZ GLU 277.A OE1 no hydrogen 3.549 N/A ASN 202.A N GLY 198.A O no hydrogen 2.824 N/A MET 203.A N THR 199.A O no hydrogen 3.039 N/A ILE 204.A N ILE 200.A O no hydrogen 2.925 N/A GLY 205.A N LYS 201.A O no hydrogen 3.052 N/A TYR 206.A N ASN 202.A O no hydrogen 3.059 N/A ALA 207.A N MET 203.A O no hydrogen 3.043 N/A LYS 208.A N ILE 204.A O no hydrogen 2.937 N/A LYS 208.A NZ ILE 281.A O no hydrogen 2.869 N/A LYS 209.A N GLY 205.A O no hydrogen 3.399 N/A LEU 210.A N ALA 207.A O no hydrogen 3.252 N/A PHE 211.A N ALA 207.A O no hydrogen 2.839 N/A LYS 212.A NZ ASP 238.A OD1 no hydrogen 3.368 N/A LYS 213.A N SER 235.A O no hydrogen 3.322 N/A GLU 215.A N CYS 233.A O no hydrogen 2.864 N/A TYR 216.A OH GLU 191.A O no hydrogen 2.389 N/A ALA 217.A N ILE 231.A O no hydrogen 3.021 N/A ASN 218.A N ALA 267.A O no hydrogen 2.942 N/A ILE 219.A N ILE 229.A O no hydrogen 2.960 N/A SER 220.A N TYR 258.A OH no hydrogen 3.054 N/A ILE 221.A N GLY 227.A O no hydrogen 3.038 N/A THR 223.A N ASP 58.A OD2 no hydrogen 3.246 N/A THR 223.A OG1 ASP 58.A OD1 no hydrogen 3.226 N/A THR 223.A OG1 ASP 58.A OD2 no hydrogen 2.600 N/A TYR 224.A N ILE 221.A O no hydrogen 3.383 N/A TYR 224.A OH GLN 53.A O no hydrogen 2.659 N/A CYS 226.A SG GLN 14.A OE1 no hydrogen 3.871 N/A GLY 227.A N TYR 224.A O no hydrogen 2.820 N/A CYS 228.A SG SER 192.A OG no hydrogen 3.264 N/A CYS 228.A SG ASN 218.A OD1 no hydrogen 3.514 N/A ILE 229.A N ILE 219.A O no hydrogen 3.171 N/A GLY 230.A N CYS 190.A O no hydrogen 3.294 N/A ILE 231.A N ALA 217.A O no hydrogen 2.810 N/A LEU 232.A N ALA 188.A O no hydrogen 2.820 N/A CYS 233.A N GLU 215.A O no hydrogen 2.817 N/A CYS 233.A SG ILE 231.A O no hydrogen 3.668 N/A CYS 234.A N CYS 186.A O no hydrogen 2.744 N/A SER 235.A N LYS 213.A O no hydrogen 2.847 N/A LYS 236.A NZ TYR 177.A O no hydrogen 2.830 N/A LYS 236.A NZ LEU 180.A O no hydrogen 3.073 N/A LYS 236.A NZ LYS 181.A O no hydrogen 2.895 N/A THR 237.A OG1 THR 239.A OG1 no hydrogen 3.262 N/A THR 239.A OG1 THR 237.A OG1 no hydrogen 3.262 N/A GLY 240.A N THR 237.A O no hydrogen 3.479 N/A LEU 241.A N GLU 215.A OE1 no hydrogen 2.878 N/A ASN 245.A N THR 72.A O no hydrogen 2.789 N/A ASN 245.A ND2 VAL 73.A O no hydrogen 2.833 N/A LYS 246.A NZ MET 71.A O no hydrogen 2.919 N/A LYS 246.A NZ SER 74.A O no hydrogen 2.658 N/A LYS 246.A NZ LYS 75.A O no hydrogen 3.315 N/A SER 250.A OG GLU 252.A OE1 no hydrogen 2.724 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.661 N/A PHE 253.A N SER 250.A O no hydrogen 3.208 N/A ALA 254.A N LYS 251.A O no hydrogen 3.417 N/A LEU 256.A N PHE 253.A O no hydrogen 3.182 N/A LYS 257.A N GLU 64.A OE2 no hydrogen 2.820 N/A LYS 257.A NZ ASP 255.A O no hydrogen 3.229 N/A TYR 258.A N GLU 64.A OE1 no hydrogen 2.814 N/A TYR 259.A N GLU 64.A OE1 no hydrogen 2.919 N/A TYR 259.A OH HIS 264.A ND1 no hydrogen 2.758 N/A ASN 260.A N ASN 263.A OD1 no hydrogen 3.091 N/A ASN 263.A N ASN 260.A OD1 no hydrogen 2.668 N/A ASN 263.A ND2 TYR 258.A O no hydrogen 2.859 N/A HIS 264.A N ASN 260.A O no hydrogen 3.043 N/A HIS 264.A ND1 TYR 259.A OH no hydrogen 2.758 N/A HIS 264.A NE2 LEU 241.A O no hydrogen 2.660 N/A SER 265.A N GLU 262.A O no hydrogen 3.250 N/A SER 265.A OG THR 242.A O no hydrogen 3.424 N/A ALA 266.A N GLU 262.A O no hydrogen 3.258 N/A ALA 267.A N ASN 263.A O no hydrogen 3.119 N/A PHE 268.A N SER 265.A O no hydrogen 3.060 N/A LYS 269.A N ALA 266.A O no hydrogen 2.967 N/A LEU 275.A N PRO 271.A O no hydrogen 3.305 N/A LYS 276.A N ALA 272.A O no hydrogen 3.186 N/A GLU 277.A N PHE 273.A O no hydrogen 3.233 N/A ILE 278.A N LEU 274.A O no hydrogen 3.179 N/A