Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N VAL 16.A O no hydrogen 2.910 N/A VAL 6.A N LEU 14.A O no hydrogen 2.695 N/A LEU 9.A N VAL 12.A O no hydrogen 2.799 N/A GLN 13.A N VAL 26.A O no hydrogen 2.797 N/A LEU 14.A N GLN 7.A O no hydrogen 2.742 N/A ALA 15.A N VAL 24.A O no hydrogen 2.845 N/A VAL 16.A N ASP 4.A O no hydrogen 2.809 N/A ARG 18.A NH1 ASP 2.A O no hydrogen 3.425 N/A THR 20.A N ASN 17.A OD1 no hydrogen 2.667 N/A VAL 24.A N ALA 15.A O no hydrogen 2.818 N/A ALA 25.A N LEU 57.A O no hydrogen 2.862 N/A VAL 26.A N GLN 13.A O no hydrogen 2.852 N/A LYS 27.A N LEU 55.A O no hydrogen 2.928 N/A LYS 27.A NZ GLU 33.A OE2 no hydrogen 3.215 N/A ILE 28.A N GLU 11.A O no hydrogen 2.907 N/A GLU 33.A N ASN 29.A O no hydrogen 3.342 N/A ILE 34.A N ILE 30.A O no hydrogen 3.007 N/A CYS 35.A N LYS 31.A O no hydrogen 2.919 N/A ILE 36.A N LYS 32.A O no hydrogen 2.746 N/A ASN 37.A N GLU 33.A O no hydrogen 2.867 N/A ASN 37.A ND2 GLU 33.A O no hydrogen 2.828 N/A LYS 38.A N ILE 34.A O no hydrogen 3.019 N/A LYS 38.A N CYS 35.A O no hydrogen 3.200 N/A MET 39.A N ILE 36.A O no hydrogen 3.016 N/A LEU 40.A N ASN 37.A O no hydrogen 3.282 N/A ASN 41.A N TYR 93.A OH no hydrogen 2.734 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.878 N/A ASN 44.A N HIS 42.A ND1 no hydrogen 2.785 N/A ASN 44.A ND2 LEU 117.A O no hydrogen 3.118 N/A VAL 45.A N HIS 42.A O no hydrogen 3.310 N/A VAL 46.A N ILE 119.A O no hydrogen 3.020 N/A LYS 47.A N GLU 58.A OE2 no hydrogen 3.127 N/A LYS 47.A NZ ASN 41.A OD1 no hydrogen 3.536 N/A TYR 49.A N PHE 56.A O no hydrogen 2.731 N/A ARG 52.A N TYR 54.A O no hydrogen 3.200 N/A TYR 54.A N ARG 52.A O no hydrogen 3.088 N/A LEU 55.A N LYS 27.A O no hydrogen 2.899 N/A PHE 56.A N GLY 50.A O no hydrogen 3.029 N/A LEU 57.A N ALA 25.A O no hydrogen 2.766 N/A GLU 58.A N LYS 47.A O no hydrogen 2.690 N/A CYS 60.A SG GLU 58.A O no hydrogen 3.829 N/A GLY 63.A N CYS 60.A O no hydrogen 3.465 N/A GLU 64.A N ASP 67.A OD1 no hydrogen 3.515 N/A LEU 65.A N LEU 109.A O no hydrogen 2.842 N/A ASP 67.A N GLU 64.A O no hydrogen 3.110 N/A ARG 68.A N LEU 65.A O no hydrogen 2.998 N/A ARG 68.A NH1 GLY 62.A O no hydrogen 3.411 N/A ARG 68.A NH2 ASP 115.A OD2 no hydrogen 3.177 N/A ILE 69.A N PHE 66.A O no hydrogen 3.020 N/A GLU 70.A N GLY 74.A O no hydrogen 3.004 N/A ASP 72.A N GLY 177.A O no hydrogen 3.111 N/A ILE 73.A N GLU 70.A O no hydrogen 3.080 N/A GLY 74.A N GLU 70.A O no hydrogen 2.758 N/A ALA 80.A N PRO 76.A O no hydrogen 3.154 N/A GLN 81.A N GLU 77.A O no hydrogen 2.985 N/A GLN 81.A NE2 TRP 237.A O no hydrogen 2.679 N/A GLN 81.A NE2 LYS 240.A O no hydrogen 2.732 N/A ARG 82.A N PRO 78.A O no hydrogen 3.233 N/A ARG 82.A NH1 ASP 115.A O no hydrogen 3.167 N/A PHE 83.A N ASP 79.A O no hydrogen 3.087 N/A PHE 84.A N ALA 80.A O no hydrogen 2.936 N/A HIS 85.A N GLN 81.A O no hydrogen 2.834 N/A HIS 85.A NE2 TYR 238.A O no hydrogen 2.774 N/A GLN 86.A N ARG 82.A O no hydrogen 3.291 N/A GLN 86.A NE2 ASN 116.A OD1 no hydrogen 3.537 N/A LEU 87.A N PHE 83.A O no hydrogen 2.835 N/A MET 88.A N PHE 84.A O no hydrogen 2.772 N/A ALA 89.A N HIS 85.A O no hydrogen 3.001 N/A GLY 90.A N GLN 86.A O no hydrogen 3.027 N/A VAL 91.A N LEU 87.A O no hydrogen 3.024 N/A VAL 92.A N MET 88.A O no hydrogen 2.754 N/A TYR 93.A N ALA 89.A O no hydrogen 3.233 N/A LEU 94.A N GLY 90.A O no hydrogen 2.990 N/A HIS 95.A N VAL 91.A O no hydrogen 2.940 N/A HIS 95.A NE2 ASP 163.A OD2 no hydrogen 2.797 N/A GLY 96.A N VAL 92.A O no hydrogen 2.729 N/A ILE 97.A N TYR 93.A O no hydrogen 3.179 N/A ILE 97.A N LEU 94.A O no hydrogen 3.055 N/A GLY 98.A N HIS 95.A O no hydrogen 3.002 N/A ILE 99.A N LEU 94.A O no hydrogen 2.895 N/A THR 100.A N THR 126.A O no hydrogen 2.976 N/A THR 100.A OG1 ASP 163.A OD1 no hydrogen 3.366 N/A THR 100.A OG1 ASP 163.A OD2 no hydrogen 2.705 N/A HIS 101.A NE2 SER 120.A O no hydrogen 3.000 N/A ARG 102.A N ASP 163.A OD1 no hydrogen 3.403 N/A ARG 102.A NE LEU 124.A O no hydrogen 2.502 N/A ARG 102.A NH2 LEU 124.A O no hydrogen 2.982 N/A ASP 103.A N HIS 101.A ND1 no hydrogen 2.849 N/A LYS 105.A NZ THR 143.A OG1 no hydrogen 2.952 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.573 N/A ASN 108.A N LYS 105.A O no hydrogen 2.819 N/A ASN 108.A ND2 ASP 103.A O no hydrogen 2.756 N/A LEU 109.A N PRO 106.A O no hydrogen 3.270 N/A LEU 110.A N LYS 118.A O no hydrogen 2.842 N/A LEU 111.A N GLY 63.A O no hydrogen 2.670 N/A ASP 112.A N ASN 116.A O no hydrogen 3.046 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.299 N/A ASP 115.A N ASP 112.A O no hydrogen 2.864 N/A ASN 116.A N ASP 112.A OD2 no hydrogen 3.075 N/A ASN 116.A ND2 ASP 112.A OD1 no hydrogen 3.224 N/A LEU 117.A N GLN 86.A OE1 no hydrogen 2.805 N/A LYS 118.A N LEU 110.A O no hydrogen 2.643 N/A LYS 118.A NZ GLU 43.A O no hydrogen 3.251 N/A LYS 118.A NZ GLU 58.A OE1 no hydrogen 2.836 N/A LYS 118.A NZ GLU 58.A OE2 no hydrogen 3.328 N/A ILE 119.A N ASN 44.A O no hydrogen 2.983 N/A SER 120.A N ASN 108.A O no hydrogen 2.850 N/A GLY 123.A N ASP 121.A OD2 no hydrogen 2.975 N/A ALA 125.A N PHE 122.A O no hydrogen 3.318 N/A THR 126.A N THR 100.A O no hydrogen 3.076 N/A PHE 128.A N GLY 98.A O no hydrogen 2.813 N/A ARG 129.A N GLY 98.A O no hydrogen 3.412 N/A ARG 129.A NH1 HIS 95.A O no hydrogen 2.869 N/A ARG 129.A NH2 HIS 95.A O no hydrogen 3.373 N/A TYR 130.A N ARG 133.A O no hydrogen 3.350 N/A ARG 133.A N TYR 130.A O no hydrogen 3.195 N/A ARG 135.A N PHE 128.A O no hydrogen 2.741 N/A LEU 137.A N PHE 157.A O no hydrogen 2.708 N/A CYS 141.A SG MET 140.A O no hydrogen 3.614 N/A THR 143.A OG1 ASP 103.A OD2 no hydrogen 3.180 N/A TYR 146.A N THR 143.A O no hydrogen 2.925 N/A VAL 147.A N THR 143.A O no hydrogen 3.203 N/A GLU 150.A N GLU 150.A OE2 no hydrogen 2.794 N/A LEU 151.A N ALA 148.A O no hydrogen 3.189 N/A LEU 152.A N PRO 149.A O no hydrogen 2.860 N/A LYS 153.A N GLU 150.A O no hydrogen 3.362 N/A LYS 153.A NZ GLU 221.A OE2 no hydrogen 3.043 N/A ARG 154.A N GLU 150.A O no hydrogen 2.936 N/A PHE 157.A N LEU 137.A O no hydrogen 2.840 N/A HIS 158.A ND1 GLU 134.A OE1 no hydrogen 2.347 N/A VAL 162.A N ALA 159.A O no hydrogen 3.151 N/A ASP 163.A N ALA 159.A O no hydrogen 3.374 N/A VAL 164.A N GLU 160.A O no hydrogen 3.079 N/A TRP 165.A N PRO 161.A O no hydrogen 2.960 N/A SER 166.A N VAL 162.A O no hydrogen 3.289 N/A SER 166.A OG ASP 163.A O no hydrogen 2.929 N/A CYS 167.A N ASP 163.A O no hydrogen 3.156 N/A CYS 167.A SG ASP 163.A O no hydrogen 3.183 N/A GLY 168.A N VAL 164.A O no hydrogen 3.074 N/A ILE 169.A N TRP 165.A O no hydrogen 3.017 N/A VAL 170.A N SER 166.A O no hydrogen 2.947 N/A LEU 171.A N CYS 167.A O no hydrogen 2.926 N/A THR 172.A N GLY 168.A O no hydrogen 2.922 N/A THR 172.A OG1 GLY 168.A O no hydrogen 2.977 N/A ALA 173.A N ILE 169.A O no hydrogen 3.025 N/A MET 174.A N VAL 170.A O no hydrogen 3.009 N/A MET 174.A N LEU 171.A O no hydrogen 3.152 N/A LEU 175.A N LEU 171.A O no hydrogen 3.032 N/A LEU 175.A N THR 172.A O no hydrogen 3.224 N/A ALA 176.A N THR 172.A O no hydrogen 2.830 N/A GLY 177.A N ALA 173.A O no hydrogen 3.174 N/A SER 185.A N GLN 183.A O no hydrogen 3.022 N/A SER 185.A OG GLN 183.A OE1 no hydrogen 2.783 N/A SER 185.A OG SER 187.A OG no hydrogen 3.039 N/A SER 187.A OG SER 185.A OG no hydrogen 3.039 N/A CYS 188.A N SER 185.A O no hydrogen 2.788 N/A CYS 188.A SG GLN 183.A O no hydrogen 3.742 N/A CYS 188.A SG GLU 190.A OE1 no hydrogen 3.685 N/A GLN 189.A NE2 GLN 189.A O no hydrogen 3.556 N/A GLN 189.A NE2 ASP 193.A OD2 no hydrogen 3.171 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.530 N/A TYR 191.A N CYS 188.A O no hydrogen 3.213 N/A TYR 191.A OH GLU 221.A OE2 no hydrogen 3.406 N/A SER 192.A N CYS 188.A O no hydrogen 3.002 N/A SER 192.A OG ASP 186.A O no hydrogen 3.018 N/A SER 192.A OG CYS 188.A O no hydrogen 3.379 N/A ASP 193.A N GLN 189.A O no hydrogen 2.875 N/A TRP 194.A N GLU 190.A O no hydrogen 3.354 N/A TRP 194.A NE1 LEU 219.A O no hydrogen 3.045 N/A LYS 195.A N TYR 191.A O no hydrogen 3.004 N/A LYS 195.A NZ ASP 186.A OD1 no hydrogen 2.976 N/A LYS 195.A NZ GLU 221.A OE2 no hydrogen 3.434 N/A GLU 196.A N SER 192.A O no hydrogen 3.025 N/A GLU 196.A N ASP 193.A O no hydrogen 3.235 N/A LYS 197.A N TRP 194.A O no hydrogen 2.767 N/A LYS 198.A N ASP 193.A O no hydrogen 2.896 N/A LYS 198.A NZ ASP 193.A OD2 no hydrogen 3.114 N/A THR 199.A N LYS 197.A O no hydrogen 2.728 N/A LEU 201.A N LYS 198.A O no hydrogen 3.276 N/A LYS 205.A N LEU 201.A O no hydrogen 2.929 N/A LYS 206.A N PRO 203.A O no hydrogen 2.884 N/A LYS 206.A NZ ASP 72.A O no hydrogen 2.997 N/A LYS 206.A NZ ALA 176.A O no hydrogen 3.022 N/A LYS 206.A NZ GLU 178.A OE2 no hydrogen 2.698 N/A ILE 207.A N TRP 204.A O no hydrogen 2.989 N/A ALA 210.A N ASP 208.A OD1 no hydrogen 3.251 N/A LEU 212.A N ASP 208.A O no hydrogen 3.090 N/A ALA 213.A N SER 209.A O no hydrogen 3.035 N/A LEU 214.A N PRO 211.A O no hydrogen 3.120 N/A LEU 215.A N PRO 211.A O no hydrogen 3.110 N/A HIS 216.A N LEU 212.A O no hydrogen 2.977 N/A LYS 217.A N LEU 214.A O no hydrogen 3.157 N/A LYS 217.A NZ ASP 235.A OD2 no hydrogen 2.703 N/A ILE 218.A N LEU 214.A O no hydrogen 2.948 N/A LEU 219.A N LEU 215.A O no hydrogen 2.848 N/A SER 224.A N ASN 222.A OD1 no hydrogen 3.241 N/A ALA 225.A N ASN 222.A O no hydrogen 2.930 N/A ARG 226.A N ASN 222.A O no hydrogen 2.961 N/A ARG 226.A NE VAL 220.A O no hydrogen 2.986 N/A ARG 226.A NH1 GLU 150.A OE2 no hydrogen 2.646 N/A ARG 226.A NH1 VAL 220.A O no hydrogen 3.152 N/A ARG 226.A NH1 GLU 221.A O no hydrogen 3.293 N/A ARG 226.A NH2 GLU 150.A OE1 no hydrogen 3.053 N/A ARG 226.A NH2 PRO 161.A O no hydrogen 2.675 N/A ILE 227.A N LYS 217.A O no hydrogen 3.182 N/A ILE 232.A N THR 228.A O no hydrogen 2.900 N/A LYS 233.A N ILE 229.A O no hydrogen 3.060 N/A LYS 234.A N ASP 231.A O no hydrogen 3.129 N/A ASP 235.A N ILE 232.A O no hydrogen 2.977 N/A TRP 237.A NE1 GLU 77.A OE1 no hydrogen 3.078 N/A TYR 238.A N ASP 235.A OD1 no hydrogen 3.235 N/A ASN 239.A N ASP 235.A O no hydrogen 3.116 N/A ASN 239.A ND2 LYS 233.A O no hydrogen 2.868 N/A ASN 239.A ND2 ASP 235.A O no hydrogen 3.441 N/A LYS 240.A N TRP 237.A O no hydrogen 3.200 N/A