Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cmw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LEU 17.A O no hydrogen 2.773 N/A LYS 5.A N ARG 2.A O no hydrogen 3.264 N/A ILE 7.A N LEU 15.A O no hydrogen 2.830 N/A GLY 10.A N GLY 13.A O no hydrogen 2.864 N/A GLU 14.A N LEU 31.A O no hydrogen 3.139 N/A LEU 15.A N GLY 8.A O no hydrogen 2.936 N/A ARG 16.A N ILE 29.A O no hydrogen 2.833 N/A ARG 16.A NE GLU 14.A OE2 no hydrogen 2.929 N/A ARG 16.A NH2 GLU 14.A OE2 no hydrogen 3.097 N/A LEU 17.A N LYS 5.A O no hydrogen 2.959 N/A GLY 18.A N VAL 27.A O no hydrogen 2.889 N/A ASN 20.A N GLU 25.A O no hydrogen 2.841 N/A TYR 22.A N ASN 20.A OD1 no hydrogen 2.869 N/A THR 23.A N ASN 20.A O no hydrogen 3.153 N/A ASN 24.A N ASN 20.A O no hydrogen 2.753 N/A GLU 25.A N THR 23.A OG1 no hydrogen 3.125 N/A TYR 26.A OH MET 1.A O no hydrogen 3.035 N/A VAL 27.A N GLY 18.A O no hydrogen 2.883 N/A ALA 28.A N LEU 74.A O no hydrogen 2.829 N/A ILE 29.A N ARG 16.A O no hydrogen 2.772 N/A LYS 30.A N MET 72.A O no hydrogen 2.891 N/A LYS 30.A NZ GLU 44.A OE1 no hydrogen 2.906 N/A LYS 30.A NZ GLU 44.A OE2 no hydrogen 3.498 N/A LEU 31.A N GLU 14.A O no hydrogen 2.853 N/A GLU 32.A N ASN 70.A O no hydrogen 2.997 N/A ILE 34.A N LYS 68.A O no hydrogen 2.875 N/A SER 36.A N PRO 33.A O no hydrogen 3.057 N/A ALA 38.A N SER 36.A OG no hydrogen 3.107 N/A GLN 40.A N GLU 32.A OE2 no hydrogen 2.710 N/A LEU 41.A N GLU 32.A OE1 no hydrogen 3.433 N/A LEU 41.A N GLU 32.A OE2 no hydrogen 3.058 N/A GLU 44.A N GLN 40.A O no hydrogen 3.130 N/A TYR 45.A N LEU 41.A O no hydrogen 2.984 N/A ARG 46.A N HIS 42.A O no hydrogen 2.958 N/A PHE 47.A N LEU 43.A O no hydrogen 3.006 N/A TYR 48.A N GLU 44.A O no hydrogen 2.855 N/A LYS 49.A N TYR 45.A O no hydrogen 2.969 N/A GLN 50.A N ARG 46.A O no hydrogen 3.005 N/A GLN 50.A NE2 GLU 149.A OE2 no hydrogen 3.216 N/A LEU 51.A N PHE 47.A O no hydrogen 3.012 N/A GLY 52.A N TYR 48.A O no hydrogen 3.066 N/A GLN 60.A N GLU 75.A OE1 no hydrogen 2.956 N/A TYR 62.A N VAL 73.A O no hydrogen 2.827 N/A TYR 62.A OH GLN 60.A OE1 no hydrogen 2.949 N/A GLY 65.A N ALA 71.A O no hydrogen 2.949 N/A ASN 70.A N GLU 32.A O no hydrogen 2.718 N/A ALA 71.A N GLY 65.A O no hydrogen 2.719 N/A MET 72.A N LYS 30.A O no hydrogen 2.831 N/A VAL 73.A N TYR 63.A O no hydrogen 2.841 N/A LEU 74.A N ALA 28.A O no hydrogen 2.897 N/A GLU 75.A N GLN 60.A O no hydrogen 2.811 N/A GLY 78.A N ILE 128.A O no hydrogen 2.748 N/A SER 80.A N ASP 83.A OD2 no hydrogen 3.025 N/A LEU 81.A N PHE 126.A O no hydrogen 2.809 N/A ASP 83.A N SER 80.A OG no hydrogen 3.119 N/A LEU 84.A N SER 80.A O no hydrogen 2.966 N/A PHE 85.A N LEU 81.A O no hydrogen 2.805 N/A ASP 86.A N GLU 82.A O no hydrogen 2.934 N/A LEU 87.A N ASP 83.A O no hydrogen 2.848 N/A CYS 88.A N LEU 84.A O no hydrogen 2.893 N/A CYS 88.A SG LEU 84.A O no hydrogen 3.304 N/A ASP 89.A N ASP 86.A O no hydrogen 3.023 N/A ARG 90.A N PHE 85.A O no hydrogen 2.785 N/A ARG 90.A NH1 GLU 82.A OE2 no hydrogen 2.978 N/A ARG 90.A NH1 ASP 86.A OD1 no hydrogen 2.802 N/A ARG 90.A NH2 TYR 198.A OH no hydrogen 2.862 N/A PHE 92.A N PHE 199.A O no hydrogen 3.080 N/A THR 93.A N ASP 282.A OD2 no hydrogen 2.759 N/A THR 93.A OG1 ASP 282.A OD1 no hydrogen 2.772 N/A THR 93.A OG1 ASP 282.A OD2 no hydrogen 3.409 N/A LYS 95.A NZ THR 276.A O no hydrogen 3.295 N/A LYS 95.A NZ ASP 278.A OD1 no hydrogen 2.828 N/A LYS 95.A NZ ASP 278.A OD2 no hydrogen 3.371 N/A THR 96.A N THR 93.A OG1 no hydrogen 3.218 N/A THR 96.A OG1 ASP 282.A OD1 no hydrogen 2.875 N/A VAL 97.A N THR 93.A O no hydrogen 2.972 N/A LEU 98.A N LEU 94.A O no hydrogen 2.771 N/A MET 99.A N LYS 95.A O no hydrogen 3.016 N/A ILE 100.A N THR 96.A O no hydrogen 2.911 N/A ALA 101.A N VAL 97.A O no hydrogen 2.885 N/A ILE 102.A N LEU 98.A O no hydrogen 2.959 N/A GLN 103.A N MET 99.A O no hydrogen 3.380 N/A GLN 103.A NE2.A HIS 137.A O no hydrogen 3.453 N/A GLN 103.A NE2.B MET 99.A O no hydrogen 2.951 N/A GLN 103.A NE2.B TYR 281.A OH no hydrogen 2.863 N/A LEU 104.A N ILE 100.A O no hydrogen 2.888 N/A LEU 105.A N ALA 101.A O no hydrogen 2.856 N/A SER 106.A N ILE 102.A O no hydrogen 3.361 N/A ARG 107.A N GLN 103.A O no hydrogen 2.937 N/A ARG 107.A NE ILE 139.A O no hydrogen 2.911 N/A ARG 107.A NH2 ILE 139.A O no hydrogen 2.897 N/A MET 108.A N LEU 104.A O no hydrogen 2.875 N/A GLU 109.A N LEU 105.A O no hydrogen 3.001 N/A TYR 110.A N SER 106.A O no hydrogen 2.946 N/A TYR 110.A OH LEU 51.A O no hydrogen 2.795 N/A VAL 111.A N ARG 107.A O no hydrogen 3.035 N/A HIS 112.A N MET 108.A O no hydrogen 2.906 N/A HIS 112.A ND1 TYR 259.A OH no hydrogen 2.640 N/A HIS 112.A NE2 ASP 188.A OD2 no hydrogen 2.770 N/A SER 113.A N GLU 109.A O no hydrogen 2.786 N/A SER 113.A OG TYR 110.A O no hydrogen 2.625 N/A LYS 114.A N TYR 110.A O no hydrogen 3.195 N/A LYS 114.A N VAL 111.A O no hydrogen 3.047 N/A ASN 115.A N HIS 112.A O no hydrogen 2.909 N/A LEU 116.A N VAL 111.A O no hydrogen 3.372 N/A ILE 117.A N LYS 148.A O no hydrogen 2.798 N/A TYR 118.A N ASP 188.A OD2 no hydrogen 2.911 N/A TYR 118.A OH ILE 142.A O no hydrogen 2.531 N/A TYR 118.A OH ASP 143.A O no hydrogen 3.320 N/A ARG 119.A N ASP 188.A OD1 no hydrogen 2.944 N/A ARG 119.A NE LEU 146.A O no hydrogen 2.779 N/A ARG 119.A NH1 LEU 146.A O no hydrogen 2.989 N/A LYS 122.A NZ THR 169.A OG1 no hydrogen 3.151 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.699 N/A ASN 125.A N LYS 122.A O no hydrogen 2.968 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 3.034 N/A ASN 125.A ND2 ASP 120.A OD2 no hydrogen 2.909 N/A PHE 126.A N PRO 123.A O no hydrogen 3.348 N/A LEU 127.A N HIS 140.A O no hydrogen 2.943 N/A ILE 128.A N PRO 79.A O no hydrogen 3.086 N/A GLY 129.A N VAL 138.A O no hydrogen 3.213 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.654 N/A VAL 138.A N LYS 135.A O no hydrogen 3.043 N/A ILE 139.A N GLN 103.A OE1.A no hydrogen 2.956 N/A HIS 140.A N LEU 127.A O no hydrogen 2.719 N/A HIS 140.A ND1 LEU 127.A O no hydrogen 3.073 N/A ILE 141.A N GLY 57.A O no hydrogen 3.074 N/A ILE 142.A N ASN 125.A O no hydrogen 3.049 N/A ASP 143.A N TYR 48.A OH no hydrogen 3.314 N/A PHE 144.A N GLU 44.A OE2 no hydrogen 3.091 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.348 N/A ALA 147.A N PHE 144.A O no hydrogen 3.200 N/A LYS 148.A N ILE 117.A O no hydrogen 2.981 N/A LYS 148.A NZ GLU 182.A OE2 no hydrogen 2.830 N/A TYR 150.A N ASN 115.A O no hydrogen 2.962 N/A TYR 150.A OH HIS 112.A O no hydrogen 2.677 N/A ASP 152.A N LYS 157.A O no hydrogen 2.786 N/A THR 155.A N ASP 152.A OD2 no hydrogen 2.738 N/A THR 155.A OG1 ASP 152.A OD2 no hydrogen 3.329 N/A LYS 156.A N ASP 152.A O no hydrogen 2.707 N/A LYS 157.A N THR 155.A OG1 no hydrogen 3.073 N/A HIS 158.A ND1 ILE 159.A O no hydrogen 2.743 N/A ILE 159.A N TYR 150.A O no hydrogen 2.735 N/A TYR 161.A OH GLU 163.A OE1 no hydrogen 2.703 N/A LYS 165.A N GLY 180.A O no hydrogen 2.805 N/A THR 169.A OG1 ASP 120.A OD1 no hydrogen 3.443 N/A ARG 171.A NH1 TYR 172.A OH no hydrogen 3.241 N/A TYR 172.A N THR 169.A O no hydrogen 3.397 N/A MET 173.A N THR 169.A O no hydrogen 3.243 N/A SER 174.A OG THR 177.A OG1 no hydrogen 2.648 N/A SER 174.A OG ASP 187.A OD1 no hydrogen 2.590 N/A ILE 175.A N GLU 190.A OE2 no hydrogen 2.925 N/A THR 177.A N SER 174.A O no hydrogen 3.057 N/A THR 177.A N SER 174.A OG no hydrogen 3.156 N/A THR 177.A OG1 SER 174.A OG no hydrogen 2.648 N/A HIS 178.A N SER 174.A O no hydrogen 3.255 N/A LEU 179.A N ILE 175.A O no hydrogen 3.242 N/A GLY 180.A N THR 177.A O no hydrogen 2.938 N/A LYS 181.A N ASN 176.A O no hydrogen 3.158 N/A LYS 181.A NZ ASN 176.A OD1 no hydrogen 2.961 N/A GLU 182.A N ARG 162.A O no hydrogen 2.841 N/A SER 184.A N ASP 187.A OD2 no hydrogen 2.816 N/A SER 184.A OG PHE 253.A O no hydrogen 2.736 N/A ARG 185.A NH2 PHE 254.A O no hydrogen 3.010 N/A ARG 186.A NH1 LEU 251.A O no hydrogen 2.986 N/A ASP 187.A N SER 184.A O no hydrogen 3.042 N/A ASP 188.A N ARG 185.A O no hydrogen 3.176 N/A LEU 189.A N ARG 185.A O no hydrogen 3.442 N/A GLU 190.A N ARG 186.A O no hydrogen 2.962 N/A ALA 191.A N ASP 187.A O no hydrogen 3.174 N/A LEU 192.A N ASP 188.A O no hydrogen 3.124 N/A GLY 193.A N LEU 189.A O no hydrogen 3.107 N/A HIS 194.A N GLU 190.A O no hydrogen 2.963 N/A HIS 194.A ND1 TYR 172.A O no hydrogen 2.778 N/A MET 195.A N ALA 191.A O no hydrogen 2.979 N/A PHE 196.A N LEU 192.A O no hydrogen 2.829 N/A MET 197.A N GLY 193.A O no hydrogen 3.120 N/A TYR 198.A N HIS 194.A O no hydrogen 2.918 N/A TYR 198.A OH GLU 82.A OE1 no hydrogen 2.631 N/A PHE 199.A N MET 195.A O no hydrogen 3.042 N/A LEU 200.A N PHE 196.A O no hydrogen 3.061 N/A ARG 201.A N MET 197.A O no hydrogen 2.840 N/A ARG 201.A NE SER 203.A O no hydrogen 2.996 N/A ARG 201.A NH1 LEU 233.A O no hydrogen 3.043 N/A GLY 202.A N TYR 198.A O no hydrogen 2.777 N/A LEU 204.A N GLN 207.A OE1 no hydrogen 2.758 N/A TRP 206.A NE1 ARG 171.A O no hydrogen 2.793 N/A GLN 207.A N LEU 204.A O no hydrogen 3.108 N/A ARG 217.A N THR 213.A O no hydrogen 3.044 N/A TYR 218.A N LEU 214.A O no hydrogen 3.042 N/A GLN 219.A N LYS 215.A O no hydrogen 3.129 N/A GLN 219.A NE2 ASP 223.A OD2 no hydrogen 3.164 N/A LYS 220.A N GLU 216.A O no hydrogen 2.752 N/A ILE 221.A N ARG 217.A O no hydrogen 2.797 N/A GLY 222.A N TYR 218.A O no hydrogen 2.907 N/A ASP 223.A N GLN 219.A O no hydrogen 2.870 N/A THR 224.A N LYS 220.A O no hydrogen 2.995 N/A THR 224.A OG1 LYS 220.A O no hydrogen 2.785 N/A LYS 225.A N ILE 221.A O no hydrogen 2.951 N/A LYS 225.A NZ ALA 170.A O no hydrogen 2.721 N/A LYS 225.A NZ MET 173.A O no hydrogen 2.643 N/A LYS 225.A NZ HIS 178.A NE2 no hydrogen 2.874 N/A ARG 226.A N GLY 222.A O no hydrogen 3.181 N/A ASN 227.A N ASP 223.A O no hydrogen 2.955 N/A THR 228.A N LYS 225.A O no hydrogen 3.301 N/A THR 228.A OG1 THR 224.A O no hydrogen 2.695 N/A LEU 233.A N PRO 229.A O no hydrogen 2.926 N/A CYS 234.A N ILE 230.A O no hydrogen 2.731 N/A CYS 234.A SG ILE 230.A O no hydrogen 3.428 N/A GLU 235.A N ALA 232.A O no hydrogen 3.343 N/A PHE 237.A N CYS 234.A O no hydrogen 3.108 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.748 N/A MET 241.A N PRO 238.A O no hydrogen 3.098 N/A THR 243.A N GLU 239.A O no hydrogen 2.907 N/A THR 243.A OG1 GLU 239.A O no hydrogen 3.138 N/A THR 243.A OG1 GLU 239.A OE2 no hydrogen 3.457 N/A TYR 244.A N GLU 240.A O no hydrogen 2.906 N/A TYR 244.A OH LEU 189.A O no hydrogen 2.722 N/A LEU 245.A N MET 241.A O no hydrogen 3.156 N/A ARG 246.A N ALA 242.A O no hydrogen 2.965 N/A ARG 246.A NH1.A GLU 239.A OE1 no hydrogen 3.367 N/A ARG 246.A NH2.A GLU 239.A OE2 no hydrogen 3.467 N/A TYR 247.A N THR 243.A O no hydrogen 3.044 N/A VAL 248.A N TYR 244.A O no hydrogen 3.027 N/A ARG 249.A N LEU 245.A O no hydrogen 2.840 N/A ARG 249.A NE GLU 190.A OE2 no hydrogen 2.726 N/A ARG 249.A NH2 HIS 194.A NE2 no hydrogen 2.998 N/A ARG 250.A N ARG 246.A O no hydrogen 3.050 N/A ARG 250.A N TYR 247.A O no hydrogen 3.127 N/A LEU 251.A N VAL 248.A O no hydrogen 3.355 N/A ASP 252.A N GLU 255.A OE1 no hydrogen 2.948 N/A GLU 255.A N ASP 252.A O no hydrogen 3.117 N/A ASP 258.A N TYR 247.A OH no hydrogen 2.830 N/A TYR 259.A OH HIS 112.A ND1 no hydrogen 2.640 N/A TYR 261.A N ASP 258.A OD1 no hydrogen 2.870 N/A LEU 262.A N ASP 258.A O no hydrogen 3.312 N/A ARG 263.A N TYR 259.A O no hydrogen 2.928 N/A ARG 263.A NH1 GLU 109.A OE1 no hydrogen 2.865 N/A ARG 263.A NH2 GLU 109.A OE1 no hydrogen 2.895 N/A ARG 263.A NH2 GLU 260.A OE1 no hydrogen 3.045 N/A THR 264.A N GLU 260.A O no hydrogen 2.901 N/A THR 264.A OG1 GLU 260.A O no hydrogen 2.725 N/A LEU 265.A N TYR 261.A O no hydrogen 3.010 N/A PHE 266.A N LEU 262.A O no hydrogen 3.370 N/A THR 267.A N ARG 263.A O no hydrogen 2.814 N/A THR 267.A OG1 ARG 263.A O no hydrogen 2.878 N/A ASP 268.A N THR 264.A O no hydrogen 2.858 N/A LEU 269.A N LEU 265.A O no hydrogen 3.372 N/A PHE 270.A N PHE 266.A O no hydrogen 2.815 N/A GLU 271.A N THR 267.A O no hydrogen 2.912 N/A LYS 272.A N ASP 268.A O no hydrogen 2.881 N/A LYS 273.A N LEU 269.A O no hydrogen 2.878 N/A GLY 274.A N GLU 271.A O no hydrogen 2.973 N/A TYR 275.A N PHE 270.A O no hydrogen 3.166 N/A ASP 278.A N THR 276.A O no hydrogen 2.847 N/A ALA 280.A N ASP 278.A OD1 no hydrogen 2.944 N/A TYR 281.A OH HIS 137.A O no hydrogen 2.690 N/A ASP 282.A N THR 96.A OG1 no hydrogen 2.840 N/A VAL 284.A N TYR 281.A O no hydrogen 3.006 N/A ARG 286.A N TRP 283.A O no hydrogen 2.934 N/A ARG 286.A NH1 ASP 89.A OD2 no hydrogen 3.454 N/A THR 290.A OG1.A VAL 292.A O no hydrogen 2.525 N/A THR 290.A OG1.B VAL 292.A O no hydrogen 2.566 N/A VAL 292.A N THR 290.A OG1.A no hydrogen 3.149 N/A VAL 292.A N THR 290.A OG1.B no hydrogen 3.196 N/A