Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N GLN 6.A OE1 no hydrogen 2.784 N/A GLN 6.A N GLY 3.A O no hydrogen 3.004 N/A LEU 7.A N GLY 3.A O no hydrogen 2.937 N/A ASN 8.A N HIS 4.A O no hydrogen 2.865 N/A ARG 9.A N GLN 6.A O no hydrogen 3.116 N/A ARG 9.A NH2 SER 11.A O no hydrogen 2.899 N/A LEU 13.A N SER 11.A OG no hydrogen 3.190 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.539 N/A THR 15.A N PHE 12.A O no hydrogen 2.870 N/A THR 15.A OG1 PHE 12.A O no hydrogen 2.543 N/A VAL 16.A N LEU 13.A O no hydrogen 3.367 N/A VAL 18.A N THR 15.A O no hydrogen 3.041 N/A VAL 19.A N VAL 16.A O no hydrogen 3.395 N/A ARG 22.A NE ASP 25.A OD2 no hydrogen 3.057 N/A ARG 22.A NH2 ASP 25.A OD1 no hydrogen 3.191 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 3.329 N/A ASP 25.A N ARG 22.A O no hydrogen 3.266 N/A GLU 26.A N VAL 23.A O no hydrogen 3.288 N/A SER 27.A OG SER 28.A O no hydrogen 2.755 N/A SER 28.A N GLU 129.A OE2 no hydrogen 2.976 N/A SER 28.A OG GLU 129.A OE1 no hydrogen 2.807 N/A ASP 30.A N SER 28.A OG no hydrogen 3.271 N/A ARG 31.A N GLU 29.A O no hydrogen 3.086 N/A THR 33.A OG1 THR 33.A O no hydrogen 2.618 N/A TRP 34.A NE1 ASP 234.A OD1 no hydrogen 2.465 N/A ILE 39.A N SER 35.A O no hydrogen 2.979 N/A GLU 40.A N LEU 36.A O no hydrogen 2.778 N/A ASN 41.A N ASP 38.A O no hydrogen 3.032 N/A VAL 42.A N ILE 39.A O no hydrogen 3.033 N/A HIS 46.A ND1 GLU 183.A OE2 no hydrogen 3.047 N/A LYS 47.A N GLU 183.A OE1 no hydrogen 3.126 N/A LYS 47.A NZ ASP 247.A OD1 no hydrogen 2.682 N/A ASN 50.A N ASP 54.A OD2 no hydrogen 2.942 N/A THR 55.A N GLY 51.A O no hydrogen 2.938 N/A THR 55.A OG1 GLY 51.A O no hydrogen 3.182 N/A LEU 56.A N LEU 52.A O no hydrogen 2.935 N/A ALA 57.A N VAL 53.A O no hydrogen 2.895 N/A TYR 58.A N ASP 54.A O no hydrogen 3.113 N/A ARG 59.A N THR 55.A O no hydrogen 2.927 N/A SER 60.A N LEU 56.A O no hydrogen 2.882 N/A SER 60.A OG LEU 56.A O no hydrogen 3.371 N/A SER 60.A OG ALA 57.A O no hydrogen 2.923 N/A VAL 61.A N ALA 57.A O no hydrogen 3.083 N/A ARG 62.A N TYR 58.A O no hydrogen 2.811 N/A ARG 62.A NH2 GLU 184.A OE2 no hydrogen 2.712 N/A THR 63.A N ARG 59.A O no hydrogen 2.826 N/A THR 63.A OG1 ARG 59.A O no hydrogen 3.011 N/A CYS 64.A N SER 60.A O no hydrogen 2.883 N/A CYS 64.A SG SER 60.A O no hydrogen 3.377 N/A ARG 65.A N VAL 61.A O no hydrogen 2.931 N/A ARG 65.A NE ASP 69.A OD2 no hydrogen 2.561 N/A ARG 65.A NH1 GLU 184.A O no hydrogen 3.475 N/A ARG 65.A NH1 GLU 184.A OE1 no hydrogen 3.339 N/A ARG 65.A NH1 THR 188.A OG1 no hydrogen 2.847 N/A ARG 65.A NH2 THR 188.A OG1 no hydrogen 3.138 N/A TRP 66.A N ARG 62.A O no hydrogen 3.046 N/A LEU 67.A N THR 63.A O no hydrogen 3.016 N/A PHE 68.A N CYS 64.A O no hydrogen 2.913 N/A ASP 69.A N ARG 65.A O no hydrogen 2.691 N/A THR 70.A N TRP 66.A O no hydrogen 3.203 N/A THR 70.A OG1 TRP 66.A O no hydrogen 2.610 N/A THR 70.A OG1 LEU 67.A O no hydrogen 2.754 N/A PHE 71.A N LEU 67.A O no hydrogen 2.847 N/A SER 72.A N PHE 68.A O no hydrogen 2.956 N/A SER 72.A OG PHE 68.A O no hydrogen 2.916 N/A LEU 73.A N THR 70.A O no hydrogen 3.168 N/A ARG 75.A NE THR 70.A O no hydrogen 3.533 N/A LYS 83.A N THR 80.A OG1 no hydrogen 3.169 N/A LYS 83.A NZ LEU 73.A O no hydrogen 3.060 N/A LYS 83.A NZ TYR 74.A O no hydrogen 3.385 N/A VAL 84.A N THR 80.A O no hydrogen 2.958 N/A ILE 85.A N GLU 81.A O no hydrogen 2.778 N/A SER 86.A N SER 82.A O no hydrogen 3.022 N/A ARG 87.A N LYS 83.A O no hydrogen 2.945 N/A ARG 87.A NH1 ASP 69.A OD1 no hydrogen 2.682 N/A ARG 87.A NH2 ASP 69.A OD1 no hydrogen 2.721 N/A CYS 88.A N VAL 84.A O no hydrogen 3.150 N/A CYS 88.A SG VAL 84.A O no hydrogen 3.439 N/A CYS 88.A SG TYR 189.A OH no hydrogen 3.530 N/A LEU 89.A N ILE 85.A O no hydrogen 2.905 N/A PHE 90.A N SER 86.A O no hydrogen 3.167 N/A LEU 91.A N ARG 87.A O no hydrogen 2.998 N/A GLU 92.A N CYS 88.A O no hydrogen 2.855 N/A THR 93.A N PHE 90.A O no hydrogen 3.209 N/A THR 93.A OG1 PHE 90.A O no hydrogen 2.383 N/A ALA 95.A N LEU 91.A O no hydrogen 2.912 N/A VAL 97.A N VAL 94.A O no hydrogen 2.695 N/A VAL 101.A N VAL 97.A O no hydrogen 2.909 N/A GLY 102.A N PRO 98.A O no hydrogen 2.776 N/A GLY 103.A N GLY 99.A O no hydrogen 3.090 N/A MET 104.A N MET 100.A O no hydrogen 2.905 N/A LEU 105.A N VAL 101.A O no hydrogen 2.950 N/A LEU 105.A N GLY 102.A O no hydrogen 3.108 N/A ARG 106.A N GLY 102.A O no hydrogen 2.953 N/A ARG 106.A NE ASP 117.A OD2 no hydrogen 2.572 N/A ARG 106.A NH1 GLN 254.A O no hydrogen 2.995 N/A ARG 106.A NH2 ASP 117.A OD2 no hydrogen 3.063 N/A ARG 106.A NH2 GLN 254.A O no hydrogen 3.154 N/A HIS 107.A N GLY 103.A O no hydrogen 2.928 N/A LEU 108.A N MET 104.A O no hydrogen 2.923 N/A SER 109.A N LEU 105.A O no hydrogen 2.833 N/A SER 109.A OG LEU 105.A O no hydrogen 3.373 N/A SER 110.A N ARG 106.A O no hydrogen 2.869 N/A SER 110.A OG THR 115.A O no hydrogen 2.899 N/A LEU 111.A N HIS 107.A O no hydrogen 2.861 N/A ARG 112.A N LEU 108.A O no hydrogen 2.854 N/A ARG 112.A NE TYR 113.A OH no hydrogen 3.289 N/A ARG 112.A NH2 TYR 113.A OH no hydrogen 3.445 N/A TYR 113.A N SER 109.A O no hydrogen 2.827 N/A THR 115.A N SER 110.A O no hydrogen 3.261 N/A LYS 118.A NZ ASN 255.A O no hydrogen 2.918 N/A TRP 120.A NE1 SER 256.A O no hydrogen 2.873 N/A ILE 121.A N ASP 117.A OD1 no hydrogen 2.703 N/A LEU 124.A N TRP 120.A O no hydrogen 3.232 N/A LEU 124.A N ILE 121.A O no hydrogen 2.919 N/A LEU 125.A N ILE 121.A O no hydrogen 2.974 N/A VAL 126.A N ASN 122.A O no hydrogen 3.034 N/A GLU 127.A N THR 123.A O no hydrogen 3.005 N/A ALA 128.A N LEU 124.A O no hydrogen 2.927 N/A GLU 129.A N LEU 125.A O no hydrogen 2.926 N/A ASN 130.A N VAL 126.A O no hydrogen 2.842 N/A ASN 130.A ND2 TYR 215.A OH no hydrogen 3.493 N/A ASN 130.A ND2 ASP 234.A OD2 no hydrogen 2.642 N/A GLU 131.A N GLU 127.A O no hydrogen 3.008 N/A ARG 132.A N ALA 128.A O no hydrogen 2.952 N/A ARG 132.A NH1 GLU 26.A O no hydrogen 2.993 N/A ARG 132.A NH1 GLU 26.A OE2 no hydrogen 3.267 N/A ARG 132.A NH2 GLU 26.A OE2 no hydrogen 2.745 N/A MET 133.A N GLU 129.A O no hydrogen 2.873 N/A HIS 134.A N ASN 130.A O no hydrogen 2.972 N/A HIS 134.A ND1 GLU 92.A OE1 no hydrogen 3.025 N/A HIS 134.A ND1 GLU 92.A OE2 no hydrogen 3.227 N/A HIS 134.A NE2 ASP 234.A OD2 no hydrogen 3.251 N/A LEU 135.A N GLU 131.A O no hydrogen 3.102 N/A MET 136.A N ARG 132.A O no hydrogen 2.898 N/A THR 137.A N MET 133.A O no hydrogen 2.994 N/A THR 137.A OG1 MET 133.A O no hydrogen 3.018 N/A PHE 138.A N HIS 134.A O no hydrogen 3.125 N/A ILE 139.A N LEU 135.A O no hydrogen 3.035 N/A GLU 140.A N THR 137.A O no hydrogen 3.062 N/A LEU 141.A N PHE 138.A O no hydrogen 3.008 N/A ARG 142.A N PHE 138.A O no hydrogen 2.961 N/A GLN 143.A NE2 ILE 139.A O no hydrogen 2.876 N/A GLN 143.A NE2 GLU 140.A O no hydrogen 3.329 N/A ARG 149.A N GLY 145.A O no hydrogen 3.061 N/A VAL 150.A N LEU 146.A O no hydrogen 2.807 N/A SER 151.A N PRO 147.A O no hydrogen 2.966 N/A SER 151.A OG LEU 148.A O no hydrogen 2.531 N/A ILE 152.A N LEU 148.A O no hydrogen 3.030 N/A ILE 153.A N ARG 149.A O no hydrogen 3.271 N/A ILE 154.A N VAL 150.A O no hydrogen 3.087 N/A THR 155.A N SER 151.A O no hydrogen 2.781 N/A THR 155.A OG1 SER 151.A O no hydrogen 2.337 N/A GLN 156.A N ILE 152.A O no hydrogen 2.980 N/A ALA 157.A N ILE 153.A O no hydrogen 3.230 N/A ILE 158.A N ILE 154.A O no hydrogen 3.215 N/A MET 159.A N THR 155.A O no hydrogen 3.083 N/A TYR 160.A N GLN 156.A O no hydrogen 2.975 N/A PHE 162.A N ILE 158.A O no hydrogen 2.749 N/A LEU 163.A N MET 159.A O no hydrogen 2.758 N/A LEU 164.A N TYR 160.A O no hydrogen 3.055 N/A VAL 165.A N LEU 161.A O no hydrogen 3.211 N/A ALA 166.A N PHE 162.A O no hydrogen 2.733 N/A TYR 167.A N LEU 163.A O no hydrogen 2.868 N/A TYR 167.A OH HIS 175.A NE2 no hydrogen 2.628 N/A VAL 168.A N LEU 164.A O no hydrogen 3.119 N/A ILE 169.A N VAL 165.A O no hydrogen 3.148 N/A SER 170.A N ALA 166.A O no hydrogen 2.720 N/A PHE 173.A N SER 170.A OG no hydrogen 3.039 N/A VAL 174.A N SER 170.A O no hydrogen 3.259 N/A HIS 175.A N PRO 171.A O no hydrogen 2.918 N/A HIS 175.A NE2 TYR 167.A OH no hydrogen 2.628 N/A ARG 176.A N ARG 172.A O no hydrogen 2.973 N/A ARG 176.A NE ASP 54.A OD1 no hydrogen 2.960 N/A ARG 176.A NH1 HIS 243.A O no hydrogen 3.515 N/A ARG 176.A NH1 ASP 247.A OD1 no hydrogen 3.441 N/A ARG 176.A NH2 ASP 247.A OD1 no hydrogen 2.760 N/A PHE 177.A N PHE 173.A O no hydrogen 2.695 N/A VAL 178.A N VAL 174.A O no hydrogen 2.808 N/A GLY 179.A N HIS 175.A O no hydrogen 2.790 N/A TYR 180.A N ARG 176.A O no hydrogen 2.867 N/A TYR 180.A OH LYS 47.A O no hydrogen 2.614 N/A LEU 181.A N PHE 177.A O no hydrogen 2.772 N/A GLU 182.A N VAL 178.A O no hydrogen 2.864 N/A GLU 183.A N GLY 179.A O no hydrogen 3.187 N/A GLU 184.A N TYR 180.A O no hydrogen 3.480 N/A ALA 185.A N LEU 181.A O no hydrogen 2.951 N/A VAL 186.A N GLU 182.A O no hydrogen 2.883 N/A ILE 187.A N GLU 183.A O no hydrogen 3.150 N/A THR 188.A N GLU 184.A O no hydrogen 2.742 N/A THR 188.A OG1 GLU 184.A O no hydrogen 3.213 N/A TYR 189.A N ALA 185.A O no hydrogen 2.881 N/A TYR 189.A OH GLU 92.A OE1 no hydrogen 2.813 N/A THR 190.A N VAL 186.A O no hydrogen 2.950 N/A GLY 191.A N ILE 187.A O no hydrogen 2.904 N/A VAL 192.A N THR 188.A O no hydrogen 2.933 N/A MET 193.A N TYR 189.A O no hydrogen 3.066 N/A ARG 194.A N THR 190.A O no hydrogen 2.923 N/A ALA 195.A N GLY 191.A O no hydrogen 2.952 N/A ILE 196.A N VAL 192.A O no hydrogen 3.055 N/A ASP 197.A N MET 193.A O no hydrogen 3.004 N/A GLY 199.A N ILE 196.A O no hydrogen 3.032 N/A ARG 200.A N ALA 195.A O no hydrogen 2.876 N/A ARG 200.A NH2 GLU 198.A OE1 no hydrogen 3.466 N/A LEU 201.A N ALA 195.A O no hydrogen 3.171 N/A ARG 202.A NH2 GLY 199.A O no hydrogen 3.054 N/A THR 204.A N GLU 81.A OE1 no hydrogen 2.523 N/A THR 204.A N GLU 81.A OE2 no hydrogen 3.148 N/A THR 204.A OG1 GLU 81.A OE1 no hydrogen 2.949 N/A LYS 205.A N GLU 81.A OE2 no hydrogen 2.791 N/A LYS 205.A NZ LEU 141.A O no hydrogen 2.492 N/A ASN 206.A N THR 204.A O no hydrogen 2.964 N/A ASN 206.A ND2 PRO 203.A O no hydrogen 2.752 N/A ALA 212.A N PRO 209.A O no hydrogen 2.981 N/A ARG 213.A N PRO 209.A O no hydrogen 2.908 N/A ARG 213.A NE VAL 208.A O no hydrogen 2.736 N/A VAL 214.A N GLU 210.A O no hydrogen 3.097 N/A TYR 215.A N VAL 211.A O no hydrogen 3.215 N/A TRP 216.A N ALA 212.A O no hydrogen 2.914 N/A TRP 216.A NE1 ASP 234.A OD2 no hydrogen 2.996 N/A ASN 217.A N VAL 214.A O no hydrogen 3.457 N/A LEU 218.A N ARG 213.A O no hydrogen 2.929 N/A ASN 221.A N SER 219.A OG no hydrogen 2.772 N/A ALA 222.A N SER 219.A O no hydrogen 3.036 N/A PHE 224.A N ASN 206.A OD1 no hydrogen 3.379 N/A ARG 225.A N THR 223.A OG1 no hydrogen 3.073 N/A ARG 225.A NE ASP 197.A OD1 no hydrogen 2.814 N/A ARG 225.A NH1 GLU 40.A OE1 no hydrogen 3.373 N/A ARG 225.A NH1 GLU 40.A OE2 no hydrogen 2.826 N/A ARG 225.A NH1 ASP 197.A OD1 no hydrogen 3.474 N/A ARG 225.A NH1 ASP 197.A OD2 no hydrogen 2.556 N/A ARG 225.A NH2 GLU 40.A OE1 no hydrogen 2.754 N/A ASP 226.A N THR 223.A O no hydrogen 3.104 N/A LEU 227.A N THR 223.A O no hydrogen 3.184 N/A ILE 228.A N PHE 224.A O no hydrogen 3.029 N/A ASN 229.A N ARG 225.A O no hydrogen 3.110 N/A ASN 229.A ND2 ILE 39.A O no hydrogen 3.309 N/A VAL 230.A N ASP 226.A O no hydrogen 3.058 N/A ILE 231.A N LEU 227.A O no hydrogen 3.038 N/A ARG 232.A N ILE 228.A O no hydrogen 2.965 N/A ARG 232.A NH1 GLU 40.A O no hydrogen 3.446 N/A ALA 233.A N ASN 229.A O no hydrogen 3.019 N/A ASP 234.A N VAL 230.A O no hydrogen 3.094 N/A GLU 235.A N ILE 231.A O no hydrogen 2.919 N/A ALA 236.A N ARG 232.A O no hydrogen 2.944 N/A GLU 237.A N ALA 233.A O no hydrogen 3.042 N/A HIS 238.A N ASP 234.A O no hydrogen 3.070 N/A HIS 238.A ND1 GLU 182.A OE2 no hydrogen 3.091 N/A ARG 239.A N GLU 235.A O no hydrogen 2.855 N/A ARG 239.A NH1 ALA 43.A O no hydrogen 3.017 N/A ARG 239.A NH2 ALA 43.A O no hydrogen 3.302 N/A VAL 240.A N ALA 236.A O no hydrogen 3.123 N/A VAL 241.A N GLU 237.A O no hydrogen 2.971 N/A ASN 242.A N HIS 238.A O no hydrogen 2.985 N/A ASN 242.A ND2 HIS 175.A ND1 no hydrogen 3.126 N/A HIS 243.A N ARG 239.A O no hydrogen 3.270 N/A THR 244.A N VAL 240.A O no hydrogen 2.723 N/A THR 244.A OG1 VAL 240.A O no hydrogen 3.038 N/A PHE 245.A N VAL 241.A O no hydrogen 2.811 N/A ALA 246.A N ASN 242.A O no hydrogen 2.738 N/A ASP 247.A N HIS 243.A O no hydrogen 2.879 N/A MET 248.A N THR 244.A O no hydrogen 2.964 N/A HIS 249.A N PHE 245.A O no hydrogen 3.040 N/A HIS 249.A ND1 PHE 245.A O no hydrogen 3.176 N/A GLU 250.A N ALA 246.A O no hydrogen 2.908 N/A LYS 251.A N ASP 247.A O no hydrogen 3.008 N/A LYS 251.A N MET 248.A O no hydrogen 3.267 N/A LYS 251.A NZ GLU 250.A OE1 no hydrogen 2.983 N/A ARG 252.A N HIS 249.A O no hydrogen 2.926 N/A LEU 253.A N MET 248.A O no hydrogen 2.546 N/A SER 256.A N LEU 253.A O no hydrogen 2.771 N/A SER 256.A OG LEU 253.A O no hydrogen 3.066 N/A ASN 258.A N LYS 118.A O no hydrogen 2.956 N/A ASN 258.A ND2 GLY 119.A O no hydrogen 2.481 N/A ASN 258.A ND2 THR 123.A OG1 no hydrogen 2.799 N/A PHE 260.A N ASN 258.A OD1 no hydrogen 3.119 N/A VAL 261.A N ASN 258.A O no hydrogen 3.002 N/A LEU 263.A N PRO 259.A O no hydrogen 3.372 N/A LYS 264.A N VAL 262.A O no hydrogen 2.326 N/A