Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cwm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N HIS 6.A NE2 no hydrogen 3.471 N/A TRP 1.A N ASP 118.A OD1 no hydrogen 2.901 N/A TRP 1.A N ASP 152.A OD1 no hydrogen 3.434 N/A TRP 1.A NE1 GLY 117.A O no hydrogen 2.603 N/A GLY 2.A N ASP 152.A O no hydrogen 3.089 N/A LYS 3.A NZ GLU 7.A OE2 no hydrogen 3.473 N/A HIS 6.A N GLY 2.A O no hydrogen 3.288 N/A GLU 7.A N LYS 3.A O no hydrogen 2.994 N/A ILE 8.A N GLU 4.A O no hydrogen 2.984 N/A ILE 9.A N GLY 5.A O no hydrogen 3.002 N/A CYS 10.A N HIS 6.A O no hydrogen 2.941 N/A LYS 11.A N GLU 7.A O no hydrogen 2.743 N/A ILE 12.A N ILE 8.A O no hydrogen 3.137 N/A ALA 13.A N ILE 9.A O no hydrogen 2.957 N/A GLN 14.A N CYS 10.A O no hydrogen 2.937 N/A GLN 14.A NE2 GLY 35.A O no hydrogen 2.793 N/A THR 15.A N ILE 12.A O no hydrogen 3.089 N/A THR 15.A OG1 LYS 11.A O no hydrogen 3.320 N/A THR 15.A OG1 ILE 12.A O no hydrogen 2.836 N/A ARG 16.A N ALA 13.A O no hydrogen 3.054 N/A ARG 16.A NH2 GLU 191.A OE2 no hydrogen 2.762 N/A ASP 18.A N ASN 252.A OD1 no hydrogen 2.870 N/A THR 20.A OG1 PHE 255.A O no hydrogen 3.071 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 3.073 N/A ALA 22.A N ASP 18.A O no hydrogen 2.945 N/A LYS 23.A N GLU 19.A O no hydrogen 3.029 N/A ALA 24.A N THR 20.A O no hydrogen 2.943 N/A VAL 25.A N ALA 21.A O no hydrogen 2.890 N/A LYS 26.A N ALA 22.A O no hydrogen 3.248 N/A GLU 27.A N LYS 23.A O no hydrogen 3.095 N/A LEU 28.A N ALA 24.A O no hydrogen 2.968 N/A LEU 29.A N VAL 25.A O no hydrogen 2.955 N/A ALA 33.A N PRO 30.A O no hydrogen 3.080 N/A GLU 34.A N GLU 31.A O no hydrogen 3.009 N/A LEU 37.A N GLN 14.A OE1 no hydrogen 2.674 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.279 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.697 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.287 N/A SER 39.A N ASP 36.A O no hydrogen 3.119 N/A SER 39.A OG ASP 36.A O no hydrogen 2.676 N/A LEU 40.A N LEU 37.A O no hydrogen 3.112 N/A CYS 41.A SG LEU 37.A O no hydrogen 3.141 N/A TRP 43.A N LEU 40.A O no hydrogen 3.172 N/A ASP 45.A N LEU 42.A O no hydrogen 2.822 N/A ARG 46.A N TRP 43.A O no hydrogen 2.913 N/A VAL 47.A N ALA 44.A O no hydrogen 3.336 N/A TYR 51.A N VAL 47.A O no hydrogen 3.006 N/A TYR 51.A OH GLU 107.A OE2 no hydrogen 2.657 N/A SER 54.A N TYR 51.A O no hydrogen 2.792 N/A SER 54.A OG VAL 47.A O no hydrogen 3.139 N/A SER 54.A OG TYR 51.A O no hydrogen 2.727 N/A SER 55.A N HIS 52.A O no hydrogen 3.354 N/A SER 55.A OG HIS 52.A O no hydrogen 3.406 N/A LEU 57.A N SER 54.A O no hydrogen 3.116 N/A HIS 58.A N SER 55.A O no hydrogen 3.517 N/A ILE 60.A N HIS 124.A O no hydrogen 2.609 N/A THR 62.A N SER 126.A O no hydrogen 2.929 N/A THR 62.A OG1 PRO 63.A O no hydrogen 3.043 N/A CYS 66.A SG TYR 127.A OH no hydrogen 3.789 N/A TYR 68.A OH ASP 200.A OD1 no hydrogen 2.833 N/A GLN 69.A N ASP 73.A OD2 no hydrogen 2.979 N/A ARG 72.A NE ASP 73.A OD1 no hydrogen 2.833 N/A ARG 72.A NE ASP 73.A OD2 no hydrogen 3.325 N/A ARG 72.A NH1 SER 67.A OG no hydrogen 3.334 N/A ARG 72.A NH2 SER 67.A OG no hydrogen 2.884 N/A ARG 72.A NH2 ASP 73.A OD2 no hydrogen 2.913 N/A ASP 73.A N GLN 69.A O no hydrogen 2.723 N/A CYS 74.A N TYR 70.A O no hydrogen 2.711 N/A LYS 75.A NZ ARG 72.A O no hydrogen 2.428 N/A ASP 76.A N GLU 80.A O no hydrogen 3.274 N/A GLY 79.A N ASP 76.A O no hydrogen 2.904 N/A GLU 80.A N ASP 76.A OD1 no hydrogen 2.890 N/A GLY 82.A N CYS 74.A O no hydrogen 2.785 N/A ARG 83.A N GLU 80.A O no hydrogen 3.343 N/A ARG 83.A NH2 TRP 53.A O no hydrogen 2.742 N/A CYS 84.A N GLY 82.A O no hydrogen 2.948 N/A VAL 85.A N TYR 59.A O no hydrogen 3.124 N/A ALA 88.A N CYS 84.A O no hydrogen 2.814 N/A ILE 89.A N VAL 85.A O no hydrogen 3.131 N/A TYR 90.A N ALA 86.A O no hydrogen 3.201 N/A ASN 91.A N GLY 87.A O no hydrogen 2.988 N/A TYR 92.A N ALA 88.A O no hydrogen 2.901 N/A THR 93.A N ILE 89.A O no hydrogen 3.051 N/A THR 93.A OG1 ILE 89.A O no hydrogen 2.716 N/A THR 93.A OG1 TYR 90.A O no hydrogen 3.072 N/A THR 94.A N TYR 90.A O no hydrogen 3.180 N/A THR 94.A OG1 TYR 90.A O no hydrogen 2.692 N/A GLN 95.A N ASN 91.A O no hydrogen 3.091 N/A GLN 95.A NE2 ASN 91.A OD1 no hydrogen 2.900 N/A LEU 96.A N TYR 92.A O no hydrogen 3.125 N/A LEU 97.A N THR 93.A O no hydrogen 3.109 N/A LEU 97.A N THR 94.A O no hydrogen 3.127 N/A SER 98.A N GLN 95.A O no hydrogen 2.833 N/A SER 98.A OG GLN 95.A O no hydrogen 3.350 N/A TYR 99.A N LEU 96.A O no hydrogen 3.124 N/A TYR 99.A OH GLU 27.A OE1 no hydrogen 2.739 N/A GLN 102.A N SER 101.A OG no hydrogen 2.476 N/A THR 106.A OG1 LEU 28.A O no hydrogen 2.398 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 3.218 N/A ALA 108.A N ASN 104.A O no hydrogen 3.132 N/A LEU 109.A N LEU 105.A O no hydrogen 3.133 N/A LEU 110.A N THR 106.A O no hydrogen 3.097 N/A PHE 111.A N GLU 107.A O no hydrogen 2.717 N/A VAL 112.A N ALA 108.A O no hydrogen 2.833 N/A SER 113.A N LEU 109.A O no hydrogen 2.893 N/A SER 113.A OG LEU 109.A O no hydrogen 2.886 N/A HIS 114.A N LEU 110.A O no hydrogen 3.157 N/A HIS 114.A ND1 CYS 41.A O no hydrogen 2.847 N/A PHE 115.A N PHE 111.A O no hydrogen 2.800 N/A MET 116.A N VAL 112.A O no hydrogen 2.915 N/A GLY 117.A N SER 113.A O no hydrogen 3.404 N/A ASP 118.A N HIS 114.A O no hydrogen 2.948 N/A ILE 119.A N PHE 115.A O no hydrogen 2.776 N/A HIS 120.A N GLY 117.A O no hydrogen 3.143 N/A HIS 120.A ND1 MET 116.A O no hydrogen 2.751 N/A GLN 121.A N ASP 118.A O no hydrogen 2.998 N/A GLN 121.A NE2 HIS 148.A O no hydrogen 3.696 N/A GLN 121.A NE2 ASP 152.A OD1 no hydrogen 2.762 N/A LEU 123.A N GLN 121.A OE1 no hydrogen 2.870 N/A HIS 124.A N GLN 121.A O no hydrogen 2.897 N/A HIS 124.A ND1 HIS 58.A O no hydrogen 2.643 N/A VAL 125.A N PRO 122.A O no hydrogen 3.075 N/A SER 126.A N ILE 60.A O no hydrogen 3.166 N/A SER 126.A OG LEU 123.A O no hydrogen 2.888 N/A TYR 127.A N TYR 215.A OH no hydrogen 3.111 N/A ALA 128.A N THR 62.A O no hydrogen 2.918 N/A SER 129.A OG ASP 64.A OD1 no hydrogen 2.658 N/A LYS 131.A N ALA 128.A O no hydrogen 3.186 N/A GLY 132.A N TYR 127.A O no hydrogen 2.754 N/A GLY 133.A N ASP 130.A O no hydrogen 2.836 N/A GLY 133.A N ASP 130.A OD1 no hydrogen 2.895 N/A ASN 134.A N LYS 131.A O no hydrogen 3.336 N/A ASN 134.A ND2 LYS 131.A O no hydrogen 2.935 N/A THR 135.A N ASP 130.A O no hydrogen 3.391 N/A ILE 136.A N GLY 133.A O no hydrogen 3.146 N/A GLU 137.A N GLU 220.A OE1 no hydrogen 3.094 N/A VAL 138.A N ALA 145.A O no hydrogen 2.896 N/A HIS 139.A N ASP 222.A O no hydrogen 2.809 N/A TRP 140.A N ARG 143.A O no hydrogen 2.601 N/A TRP 140.A NE1 THR 158.A OG1 no hydrogen 2.877 N/A TYR 141.A N LEU 224.A O no hydrogen 2.833 N/A TYR 141.A OH ASP 226.A OD1 no hydrogen 2.540 N/A ARG 143.A N TRP 140.A O no hydrogen 2.951 N/A ALA 145.A N VAL 138.A O no hydrogen 2.896 N/A LEU 147.A N ILE 136.A O no hydrogen 2.914 N/A HIS 148.A N GLY 133.A O no hydrogen 3.310 N/A HIS 148.A ND1 GLY 132.A O no hydrogen 2.877 N/A HIS 149.A N ASN 146.A OD1 no hydrogen 2.829 N/A ILE 150.A N ASN 146.A O no hydrogen 3.089 N/A TRP 151.A N LEU 147.A O no hydrogen 3.325 N/A TRP 151.A NE1 TYR 228.A OH no hydrogen 3.042 N/A ASP 152.A N HIS 148.A O no hydrogen 2.914 N/A SER 153.A N HIS 149.A O no hydrogen 2.883 N/A ASN 154.A N HIS 149.A O no hydrogen 3.383 N/A ASN 154.A ND2 GLU 157.A OE1 no hydrogen 3.354 N/A ILE 155.A N ILE 150.A O no hydrogen 3.006 N/A GLU 157.A N SER 153.A O no hydrogen 2.811 N/A THR 158.A N ASN 154.A O no hydrogen 2.836 N/A THR 158.A OG1 ASN 154.A O no hydrogen 2.831 N/A ALA 159.A N ILE 155.A O no hydrogen 3.031 N/A GLU 160.A N ILE 156.A O no hydrogen 2.759 N/A ALA 161.A N GLU 157.A O no hydrogen 3.095 N/A ASP 162.A N THR 158.A O no hydrogen 2.818 N/A LEU 163.A N ALA 159.A O no hydrogen 2.788 N/A TYR 164.A OH TYR 237.A OH no hydrogen 2.855 N/A SER 166.A N GLU 160.A O no hydrogen 2.967 N/A ALA 167.A N TYR 164.A O no hydrogen 2.725 N/A GLY 170.A N ALA 167.A O no hydrogen 2.836 N/A VAL 172.A N LEU 168.A O no hydrogen 2.811 N/A ASP 173.A N GLU 169.A O no hydrogen 2.942 N/A ALA 174.A N GLY 170.A O no hydrogen 2.981 N/A LEU 175.A N MET 171.A O no hydrogen 2.962 N/A LYS 176.A N VAL 172.A O no hydrogen 2.876 N/A LYS 177.A N ASP 173.A O no hydrogen 2.773 N/A ASN 178.A N ALA 174.A O no hydrogen 3.125 N/A ILE 179.A N LEU 175.A O no hydrogen 2.889 N/A THR 180.A N LYS 176.A O no hydrogen 3.334 N/A THR 180.A OG1 LYS 176.A O no hydrogen 3.409 N/A THR 181.A N LYS 177.A O no hydrogen 3.181 N/A THR 181.A OG1 LYS 177.A O no hydrogen 3.338 N/A GLU 182.A N ASN 178.A O no hydrogen 3.116 N/A TRP 183.A N ASN 178.A O no hydrogen 2.688 N/A VAL 187.A N TRP 183.A O no hydrogen 2.794 N/A LYS 188.A N ALA 184.A O no hydrogen 3.308 N/A TRP 190.A N GLN 186.A O no hydrogen 2.828 N/A GLU 191.A N VAL 187.A O no hydrogen 2.934 N/A THR 192.A N ARG 189.A O no hydrogen 3.125 N/A THR 192.A OG1 LYS 188.A O no hydrogen 2.820 N/A LYS 195.A NZ TYR 90.A OH no hydrogen 3.170 N/A ILE 201.A N CYS 198.A O no hydrogen 3.215 N/A ALA 203.A N PRO 199.A O no hydrogen 2.843 N/A SER 204.A N ASP 200.A O no hydrogen 2.946 N/A SER 204.A OG ASP 200.A O no hydrogen 2.966 N/A GLU 205.A N ILE 201.A O no hydrogen 3.122 N/A GLY 206.A N TYR 202.A O no hydrogen 2.998 N/A ILE 207.A N ALA 203.A O no hydrogen 3.026 N/A GLN 208.A N SER 204.A O no hydrogen 3.257 N/A ALA 209.A N GLU 205.A O no hydrogen 2.990 N/A ALA 210.A N GLY 206.A O no hydrogen 2.718 N/A CYS 211.A N ILE 207.A O no hydrogen 3.113 N/A CYS 211.A SG TYR 127.A OH no hydrogen 3.315 N/A CYS 211.A SG ILE 207.A O no hydrogen 3.646 N/A ASP 212.A N GLN 208.A O no hydrogen 2.844 N/A TRP 213.A N ALA 209.A O no hydrogen 2.890 N/A ALA 214.A N ALA 209.A O no hydrogen 3.234 N/A TYR 215.A N ALA 210.A O no hydrogen 2.744 N/A TYR 215.A OH ASP 130.A OD1 no hydrogen 2.733 N/A TYR 215.A OH ASP 130.A OD2 no hydrogen 3.254 N/A VAL 218.A N TYR 215.A O no hydrogen 3.131 N/A THR 219.A N ASP 222.A OD2 no hydrogen 2.835 N/A GLY 221.A N GLU 137.A O no hydrogen 2.870 N/A ASP 222.A N THR 219.A O no hydrogen 2.983 N/A LEU 224.A N HIS 139.A O no hydrogen 2.754 N/A TYR 228.A OH TRP 213.A O no hydrogen 3.284 N/A TYR 228.A OH ALA 214.A O no hydrogen 2.654 N/A PHE 229.A N GLU 225.A O no hydrogen 2.889 N/A TYR 230.A N ASP 226.A O no hydrogen 2.788 N/A SER 231.A N GLU 227.A O no hydrogen 3.135 N/A SER 231.A OG GLU 227.A O no hydrogen 2.455 N/A SER 231.A OG TYR 228.A O no hydrogen 3.309 N/A ARG 232.A N TYR 228.A O no hydrogen 2.968 N/A ARG 232.A NE TRP 213.A O no hydrogen 2.659 N/A ARG 232.A NH1 SER 231.A OG no hydrogen 3.089 N/A ARG 232.A NH2 TRP 213.A O no hydrogen 3.249 N/A LEU 233.A N PHE 229.A O no hydrogen 3.032 N/A VAL 236.A N ARG 232.A O no hydrogen 3.189 N/A TYR 237.A N LEU 233.A O no hydrogen 2.941 N/A GLN 238.A N PRO 234.A O no hydrogen 2.931 N/A GLN 238.A NE2 GLN 242.A OE1 no hydrogen 3.587 N/A ARG 239.A N ILE 235.A O no hydrogen 2.855 N/A ARG 239.A NE HIS 120.A O no hydrogen 2.985 N/A ARG 239.A NH1 GLU 205.A OE1 no hydrogen 2.841 N/A ARG 239.A NH1 GLN 242.A OE1 no hydrogen 3.024 N/A ARG 239.A NH2 TYR 202.A O no hydrogen 3.130 N/A LEU 240.A N VAL 236.A O no hydrogen 2.892 N/A ALA 241.A N TYR 237.A O no hydrogen 2.995 N/A GLN 242.A N GLN 238.A O no hydrogen 3.024 N/A GLY 243.A N ARG 239.A O no hydrogen 3.040 N/A GLY 244.A N LEU 240.A O no hydrogen 2.954 N/A VAL 245.A N ALA 241.A O no hydrogen 2.714 N/A ARG 246.A N GLN 242.A O no hydrogen 2.927 N/A ARG 246.A NE TRP 190.A O no hydrogen 2.936 N/A ARG 246.A NH1 HIS 120.A NE2 no hydrogen 3.101 N/A ARG 246.A NH1 GLU 205.A OE1 no hydrogen 2.819 N/A ARG 246.A NH2 GLU 205.A OE1 no hydrogen 3.469 N/A ARG 246.A NH2 GLU 205.A OE2 no hydrogen 2.819 N/A LEU 247.A N GLY 243.A O no hydrogen 2.722 N/A ALA 248.A N GLY 244.A O no hydrogen 3.385 N/A ALA 249.A N VAL 245.A O no hydrogen 2.976 N/A THR 250.A N ARG 246.A O no hydrogen 2.974 N/A THR 250.A N LEU 247.A O no hydrogen 3.027 N/A THR 250.A OG1 ARG 246.A O no hydrogen 2.766 N/A LEU 251.A N LEU 247.A O no hydrogen 3.040 N/A ASN 252.A N ALA 248.A O no hydrogen 2.902 N/A ASN 252.A ND2 ARG 16.A O no hydrogen 3.300 N/A ARG 253.A N ALA 249.A O no hydrogen 3.112 N/A ARG 253.A NE THR 196.A O no hydrogen 2.703 N/A ARG 253.A NH1 GLU 191.A O no hydrogen 3.127 N/A ARG 253.A NH2 THR 196.A O no hydrogen 2.901 N/A ILE 254.A N THR 250.A O no hydrogen 2.881 N/A PHE 255.A N LEU 251.A O no hydrogen 2.916 N/A GLY 256.A N ARG 253.A O no hydrogen 3.334 N/A