Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s55_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ALA 28.A O no hydrogen 2.960 N/A GLU 4.A N ALA 1.A O no hydrogen 2.983 N/A LYS 6.A N PHE 3.A O no hydrogen 2.966 N/A THR 7.A N ASP 96.A OD2 no hydrogen 2.884 N/A THR 7.A OG1 LEU 92.A O no hydrogen 3.404 N/A ALA 8.A N ASP 31.A O no hydrogen 2.778 N/A LEU 9.A N ILE 97.A O no hydrogen 2.652 N/A ILE 10.A N ALA 33.A O no hydrogen 2.861 N/A THR 11.A N ILE 99.A O no hydrogen 3.091 N/A THR 11.A OG1 ILE 99.A O no hydrogen 3.516 N/A GLY 13.A N CYS 35.A O no hydrogen 3.031 N/A ALA 14.A N ASP 36.A OD1 no hydrogen 3.033 N/A ARG 15.A NH1 PRO 47.A O no hydrogen 2.928 N/A ARG 15.A NH2 PRO 47.A O no hydrogen 2.776 N/A ARG 19.A N ARG 15.A O no hydrogen 3.206 N/A ARG 19.A NE THR 57.A OG1 no hydrogen 2.962 N/A ARG 19.A NH2 ALA 14.A O no hydrogen 2.936 N/A ARG 19.A NH2 ASP 53.A O no hydrogen 3.002 N/A ARG 19.A NH2 GLU 56.A OE1 no hydrogen 3.013 N/A SER 20.A N GLY 16.A O no hydrogen 3.084 N/A SER 20.A OG THR 239.A OG1 no hydrogen 2.801 N/A HIS 21.A N MET 17.A O no hydrogen 2.796 N/A HIS 21.A ND1 THR 239.A OG1 no hydrogen 2.683 N/A ALA 22.A N GLY 18.A O no hydrogen 3.025 N/A VAL 23.A N ARG 19.A O no hydrogen 2.882 N/A ALA 24.A N SER 20.A O no hydrogen 3.024 N/A LEU 25.A N HIS 21.A O no hydrogen 2.984 N/A ALA 26.A N ALA 22.A O no hydrogen 2.904 N/A GLU 27.A N VAL 23.A O no hydrogen 2.922 N/A ALA 28.A N ALA 24.A O no hydrogen 3.136 N/A GLY 29.A N ALA 26.A O no hydrogen 3.087 N/A ALA 30.A N LEU 25.A O no hydrogen 3.002 N/A ASP 31.A N LYS 6.A O no hydrogen 2.959 N/A ILE 32.A N ARG 67.A O no hydrogen 3.142 N/A ALA 33.A N ALA 8.A O no hydrogen 2.757 N/A ILE 34.A N ILE 69.A O no hydrogen 2.963 N/A CYS 35.A N ILE 10.A O no hydrogen 3.195 N/A ASP 36.A N ALA 71.A O no hydrogen 3.226 N/A CYS 38.A N ASP 36.A OD2 no hydrogen 3.091 N/A CYS 38.A SG ASP 36.A O no hydrogen 3.514 N/A CYS 38.A SG THR 50.A O no hydrogen 3.830 N/A VAL 43.A N SER 41.A OG no hydrogen 3.233 N/A VAL 44.A N SER 41.A O no hydrogen 3.151 N/A LEU 48.A N ASN 40.A OD1 no hydrogen 2.917 N/A THR 50.A N ASP 53.A OD2 no hydrogen 3.033 N/A ASP 53.A N THR 50.A OG1 no hydrogen 3.286 N/A LEU 54.A N THR 50.A O no hydrogen 3.262 N/A ALA 55.A N ALA 51.A O no hydrogen 3.109 N/A GLU 56.A N ASP 52.A O no hydrogen 3.014 N/A THR 57.A N ASP 53.A O no hydrogen 3.093 N/A THR 57.A OG1 GLY 13.A O no hydrogen 2.974 N/A THR 57.A OG1 ALA 14.A O no hydrogen 3.116 N/A THR 57.A OG1 ASP 53.A O no hydrogen 3.561 N/A VAL 58.A N LEU 54.A O no hydrogen 2.958 N/A ALA 59.A N ALA 55.A O no hydrogen 2.827 N/A LEU 60.A N GLU 56.A O no hydrogen 2.878 N/A VAL 61.A N THR 57.A O no hydrogen 2.835 N/A GLU 62.A N VAL 58.A O no hydrogen 2.864 N/A LYS 63.A N ALA 59.A O no hydrogen 3.050 N/A THR 64.A N VAL 61.A O no hydrogen 3.169 N/A THR 64.A OG1 VAL 61.A O no hydrogen 2.595 N/A GLY 65.A N GLU 62.A O no hydrogen 2.838 N/A ARG 66.A NH2 ALA 26.A O no hydrogen 3.024 N/A ARG 67.A N ASP 31.A OD1 no hydrogen 2.867 N/A ARG 67.A NH2 ASP 31.A OD2 no hydrogen 3.350 N/A CYS 68.A SG ILE 32.A O no hydrogen 3.743 N/A CYS 68.A SG ILE 69.A O no hydrogen 3.929 N/A ILE 69.A N ILE 32.A O no hydrogen 2.942 N/A ALA 71.A N ILE 34.A O no hydrogen 3.305 N/A LYS 72.A NZ GLU 39.A OE1 no hydrogen 3.135 N/A VAL 73.A N ASP 36.A O no hydrogen 2.832 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 3.151 N/A LYS 76.A NZ ASP 74.A OD1 no hydrogen 2.929 N/A LYS 76.A NZ ASP 74.A OD2 no hydrogen 2.682 N/A LYS 76.A NZ GLU 120.A OE1 no hydrogen 3.363 N/A LYS 76.A NZ GLU 120.A OE2 no hydrogen 3.138 N/A ASP 77.A N ASP 74.A O no hydrogen 2.802 N/A ARG 78.A NE GLU 82.A OE2 no hydrogen 3.265 N/A ALA 80.A N ASP 77.A OD2 no hydrogen 2.960 N/A LEU 81.A N ASP 77.A O no hydrogen 2.993 N/A GLU 82.A N ARG 78.A O no hydrogen 2.866 N/A SER 83.A N ALA 79.A O no hydrogen 2.831 N/A PHE 84.A N ALA 80.A O no hydrogen 3.102 N/A VAL 85.A N LEU 81.A O no hydrogen 2.879 N/A ALA 86.A N GLU 82.A O no hydrogen 3.016 N/A GLU 87.A N SER 83.A O no hydrogen 3.077 N/A ALA 88.A N PHE 84.A O no hydrogen 2.982 N/A GLU 89.A N VAL 85.A O no hydrogen 2.833 N/A ASP 90.A N ALA 86.A O no hydrogen 3.049 N/A THR 91.A N GLU 87.A O no hydrogen 2.662 N/A THR 91.A OG1 GLU 87.A O no hydrogen 3.159 N/A LEU 92.A N ALA 88.A O no hydrogen 2.755 N/A GLY 93.A N GLU 89.A O no hydrogen 3.144 N/A GLY 94.A N GLU 89.A O no hydrogen 2.974 N/A ASP 96.A N THR 7.A O no hydrogen 2.932 N/A ILE 97.A N THR 7.A O no hydrogen 3.094 N/A ALA 98.A N ARG 147.A O no hydrogen 2.977 N/A ILE 99.A N LEU 9.A O no hydrogen 2.836 N/A THR 100.A N VAL 149.A O no hydrogen 3.177 N/A THR 100.A OG1 THR 100.A O no hydrogen 2.519 N/A ASN 101.A ND2 THR 11.A O no hydrogen 3.165 N/A ALA 102.A N THR 11.A OG1 no hydrogen 2.909 N/A ILE 104.A N ASN 125.A OD1 no hydrogen 2.794 N/A SER 105.A N TYR 46.A OH no hydrogen 2.920 N/A ALA 108.A N ALA 162.A O no hydrogen 3.017 N/A GLN 117.A N GLU 114.A O no hydrogen 2.968 N/A GLN 117.A NE2 VAL 43.A O no hydrogen 2.982 N/A TRP 118.A N GLU 114.A O no hydrogen 3.061 N/A ASP 119.A N SER 115.A O no hydrogen 2.817 N/A GLU 120.A N ALA 116.A O no hydrogen 3.096 N/A VAL 121.A N GLN 117.A O no hydrogen 3.107 N/A ILE 122.A N TRP 118.A O no hydrogen 2.987 N/A GLY 123.A N ASP 119.A O no hydrogen 2.751 N/A THR 124.A N GLU 120.A O no hydrogen 2.728 N/A THR 124.A OG1 GLU 120.A O no hydrogen 3.098 N/A THR 124.A OG1 GLU 120.A OE2 no hydrogen 2.591 N/A ASN 125.A N VAL 121.A O no hydrogen 2.904 N/A ASN 125.A ND2 ILE 104.A O no hydrogen 2.846 N/A ASN 125.A ND2 SER 169.A OG no hydrogen 3.271 N/A LEU 126.A N ILE 122.A O no hydrogen 2.899 N/A THR 127.A N ILE 122.A O no hydrogen 3.083 N/A GLY 128.A N GLY 123.A O no hydrogen 2.848 N/A THR 129.A OG1 ASN 125.A O no hydrogen 2.854 N/A PHE 130.A N LEU 126.A O no hydrogen 2.976 N/A ASN 131.A N THR 127.A O no hydrogen 2.707 N/A ASN 131.A ND2 VAL 75.A O no hydrogen 2.767 N/A THR 132.A N GLY 128.A O no hydrogen 2.886 N/A THR 132.A OG1 GLY 128.A O no hydrogen 2.657 N/A ILE 133.A N THR 129.A O no hydrogen 2.914 N/A ALA 134.A N PHE 130.A O no hydrogen 2.939 N/A ALA 135.A N ASN 131.A O no hydrogen 2.973 N/A VAL 136.A N THR 132.A O no hydrogen 2.973 N/A ALA 137.A N ILE 133.A O no hydrogen 2.935 N/A MET 140.A N VAL 136.A O no hydrogen 3.297 N/A ILE 141.A N ALA 137.A O no hydrogen 2.719 N/A LYS 142.A N PRO 138.A O no hydrogen 2.885 N/A ARG 143.A N GLY 139.A O no hydrogen 2.895 N/A ARG 143.A NH2 ILE 95.A O no hydrogen 3.243 N/A ASN 144.A N ILE 141.A O no hydrogen 3.016 N/A ASN 144.A ND2 ILE 141.A O no hydrogen 3.213 N/A TYR 145.A N MET 140.A O no hydrogen 3.148 N/A GLY 146.A N GLY 188.A O no hydrogen 3.053 N/A ARG 147.A N ASP 96.A O no hydrogen 2.925 N/A ARG 147.A NE ASP 247.A O no hydrogen 3.129 N/A ARG 147.A NH1 GLY 146.A O no hydrogen 2.915 N/A ARG 147.A NH1 GLY 188.A O no hydrogen 3.550 N/A ARG 147.A NH2 GLU 248.A O no hydrogen 2.943 N/A ILE 148.A N THR 190.A O no hydrogen 2.875 N/A VAL 149.A N ALA 98.A O no hydrogen 2.775 N/A THR 150.A N ASN 192.A O no hydrogen 2.644 N/A THR 150.A OG1 THR 177.A OG1 no hydrogen 2.536 N/A THR 150.A OG1 ASN 192.A O no hydrogen 3.353 N/A SER 152.A N VAL 194.A O no hydrogen 2.797 N/A SER 152.A OG SER 153.A O no hydrogen 3.502 N/A SER 152.A OG LYS 170.A O no hydrogen 2.865 N/A MET 154.A N PRO 196.A O no hydrogen 2.950 N/A LEU 155.A N SER 153.A OG no hydrogen 2.748 N/A GLY 156.A N SER 153.A O no hydrogen 2.665 N/A HIS 157.A N MET 154.A O no hydrogen 3.275 N/A HIS 157.A ND1 ILE 269.A O no hydrogen 2.651 N/A SER 158.A OG MET 154.A O no hydrogen 2.722 N/A VAL 167.A N GLN 163.A O no hydrogen 2.878 N/A SER 168.A N ALA 164.A O no hydrogen 3.024 N/A SER 168.A OG ALA 164.A O no hydrogen 2.631 N/A SER 169.A N SER 165.A O no hydrogen 3.203 N/A SER 169.A OG SER 165.A O no hydrogen 3.561 N/A SER 169.A OG TYR 166.A O no hydrogen 2.762 N/A LYS 170.A N TYR 166.A O no hydrogen 3.102 N/A LYS 170.A NZ VAL 151.A O no hydrogen 2.902 N/A TRP 171.A N VAL 167.A O no hydrogen 2.947 N/A TRP 171.A NE1 SER 158.A O no hydrogen 2.829 N/A GLY 172.A N SER 168.A O no hydrogen 3.092 N/A VAL 173.A N SER 169.A O no hydrogen 2.951 N/A GLY 175.A N TRP 171.A O no hydrogen 3.230 N/A LEU 176.A N GLY 172.A O no hydrogen 2.725 N/A THR 177.A N VAL 173.A O no hydrogen 2.734 N/A THR 177.A OG1 THR 150.A OG1 no hydrogen 2.536 N/A THR 177.A OG1 VAL 173.A O no hydrogen 2.697 N/A LYS 178.A N ILE 174.A O no hydrogen 3.126 N/A LYS 178.A NZ GLY 255.A O no hydrogen 2.875 N/A CYS 179.A N GLY 175.A O no hydrogen 3.142 N/A CYS 179.A SG GLY 175.A O no hydrogen 3.395 N/A ALA 180.A N LEU 176.A O no hydrogen 2.970 N/A ALA 181.A N THR 177.A O no hydrogen 3.016 N/A HIS 182.A N LYS 178.A O no hydrogen 3.137 N/A HIS 182.A ND1 LYS 178.A O no hydrogen 2.766 N/A ASP 183.A N CYS 179.A O no hydrogen 2.850 N/A LEU 184.A N ALA 180.A O no hydrogen 2.939 N/A VAL 185.A N HIS 182.A O no hydrogen 2.952 N/A TYR 187.A N LEU 184.A O no hydrogen 3.262 N/A THR 190.A N GLY 146.A O no hydrogen 3.008 N/A VAL 191.A N THR 254.A OG1 no hydrogen 3.061 N/A ASN 192.A N ILE 148.A O no hydrogen 3.000 N/A ASN 192.A ND2 ILE 253.A O no hydrogen 3.171 N/A ALA 193.A N THR 256.A O no hydrogen 2.932 N/A VAL 194.A N THR 150.A O no hydrogen 2.836 N/A ALA 195.A N LEU 258.A O no hydrogen 2.967 N/A GLY 197.A N ILE 260.A O no hydrogen 2.801 N/A ASN 198.A N HIS 226.A NE2 no hydrogen 2.929 N/A ASN 198.A ND2.B PHE 222.A O no hydrogen 2.639 N/A ASN 198.A ND2.B PRO 231.A O no hydrogen 2.931 N/A GLU 200.A N LEU 233.A O no hydrogen 2.964 N/A MET 203.A N THR 201.A OG1 no hydrogen 3.108 N/A THR 204.A N THR 201.A O no hydrogen 3.116 N/A THR 204.A OG1 ILE 199.A O no hydrogen 2.700 N/A THR 204.A OG1 THR 201.A O no hydrogen 3.265 N/A THR 204.A OG1 HIS 205.A ND1 no hydrogen 3.082 N/A HIS 205.A N THR 201.A O no hydrogen 2.882 N/A HIS 205.A ND1 THR 204.A OG1 no hydrogen 3.082 N/A ASN 206.A ND2 PRO 202.A O no hydrogen 2.842 N/A ASN 206.A ND2 MET 203.A O no hydrogen 2.900 N/A VAL 209.A N ASN 206.A OD1 no hydrogen 2.802 N/A PHE 210.A N ASN 206.A O no hydrogen 3.083 N/A GLY 211.A N ASP 207.A O no hydrogen 2.888 N/A THR 212.A N PHE 208.A O no hydrogen 3.059 N/A THR 212.A OG1 PHE 208.A O no hydrogen 2.832 N/A ASP 217.A N THR 214.A O no hydrogen 3.104 N/A VAL 218.A N LEU 215.A O no hydrogen 3.146 N/A VAL 221.A N VAL 218.A O no hydrogen 3.305 N/A PHE 222.A N VAL 218.A O no hydrogen 3.468 N/A ALA 223.A N GLU 219.A O no hydrogen 2.773 N/A SER 224.A N SER 220.A O no hydrogen 3.165 N/A SER 224.A OG VAL 221.A O no hydrogen 2.875 N/A LEU 225.A N PHE 222.A O no hydrogen 3.117 N/A HIS 226.A N ALA 223.A O no hydrogen 3.032 N/A HIS 226.A ND1 ALA 230.A O no hydrogen 2.631 N/A LEU 227.A N ALA 262.A O no hydrogen 3.084 N/A GLN 228.A N ALA 262.A O no hydrogen 2.845 N/A LEU 233.A N ASN 198.A O no hydrogen 2.857 N/A LYS 234.A N GLU 237.A OE1 no hydrogen 3.073 N/A GLU 237.A N LYS 234.A O no hydrogen 2.951 N/A VAL 238.A N PRO 235.A O no hydrogen 3.044 N/A THR 239.A N PRO 235.A O no hydrogen 3.096 N/A THR 239.A OG1 SER 20.A OG no hydrogen 2.801 N/A THR 239.A OG1 HIS 21.A ND1 no hydrogen 2.683 N/A THR 239.A OG1 PRO 235.A O no hydrogen 3.319 N/A ARG 240.A N GLU 236.A O no hydrogen 3.045 N/A VAL 242.A N VAL 238.A O no hydrogen 2.984 N/A LEU 243.A N THR 239.A O no hydrogen 2.967 N/A PHE 244.A N ARG 240.A O no hydrogen 3.160 N/A LEU 245.A N ALA 241.A O no hydrogen 3.143 N/A VAL 246.A N VAL 242.A O no hydrogen 2.999 N/A ALA 249.A N ASP 247.A OD1 no hydrogen 3.030 N/A SER 250.A N ASP 247.A O no hydrogen 2.951 N/A SER 250.A OG PHE 244.A O no hydrogen 2.465 N/A SER 251.A OG HIS 252.A ND1 no hydrogen 3.128 N/A ILE 253.A N SER 250.A O no hydrogen 3.257 N/A GLY 255.A N VAL 191.A O no hydrogen 2.794 N/A THR 256.A N ASN 192.A OD1 no hydrogen 3.158 N/A THR 256.A OG1 ASN 192.A OD1 no hydrogen 2.859 N/A LEU 258.A N ALA 193.A O no hydrogen 2.891 N/A ILE 260.A N ALA 195.A O no hydrogen 3.172 N/A ALA 264.A N ASP 261.A O no hydrogen 3.085 N/A THR 265.A N ASP 261.A OD1 no hydrogen 3.188 N/A THR 265.A OG1.A ASP 261.A OD1 no hydrogen 3.171 N/A THR 265.A OG1.B ASP 261.A OD1 no hydrogen 3.517 N/A THR 265.A OG1.B ASP 261.A OD2 no hydrogen 2.704 N/A ALA 266.A N GLY 263.A O no hydrogen 2.858 N/A ARG 267.A N ALA 264.A O no hydrogen 3.091 N/A ARG 267.A NH1 SER 224.A O no hydrogen 3.090 N/A MET 268.A N THR 265.A O no hydrogen 3.044 N/A