Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 24.A ND1 no hydrogen 3.554 N/A LYS 2.A N GLU 79.A OE1 no hydrogen 2.693 N/A ILE 3.A N GLU 25.A O no hydrogen 2.844 N/A ALA 4.A N LEU 80.A O no hydrogen 3.022 N/A VAL 5.A N GLY 28.A O no hydrogen 2.937 N/A ILE 6.A N VAL 82.A O no hydrogen 2.876 N/A GLY 7.A N PHE 30.A O no hydrogen 3.129 N/A GLN 8.A N THR 31.A OG1 no hydrogen 3.009 N/A GLN 13.A N SER 9.A O no hydrogen 2.870 N/A GLU 14.A N LEU 10.A O no hydrogen 2.903 N/A VAL 15.A N PHE 11.A O no hydrogen 2.986 N/A TYR 16.A N GLY 12.A O no hydrogen 2.951 N/A TYR 16.A OH ASP 49.A OD2 no hydrogen 2.523 N/A CYS 17.A N GLN 13.A O no hydrogen 2.904 N/A CYS 17.A SG GLN 13.A O no hydrogen 3.503 N/A CYS 17.A SG GLU 45.A OE1 no hydrogen 3.536 N/A GLN 18.A N GLU 14.A O no hydrogen 2.836 N/A GLN 18.A NE2 GLN 18.A O no hydrogen 3.120 N/A LEU 19.A N VAL 15.A O no hydrogen 3.008 N/A ARG 20.A N TYR 16.A O no hydrogen 3.157 N/A LYS 21.A N CYS 17.A O no hydrogen 2.982 N/A GLU 22.A N LEU 19.A O no hydrogen 3.322 N/A GLY 23.A N ARG 20.A O no hydrogen 2.953 N/A HIS 24.A N LEU 19.A O no hydrogen 3.086 N/A GLU 25.A N MET 1.A O no hydrogen 2.870 N/A VAL 27.A N ILE 3.A O no hydrogen 2.636 N/A VAL 29.A N PRO 52.A O no hydrogen 2.858 N/A PHE 30.A N VAL 5.A O no hydrogen 2.765 N/A THR 31.A N PHE 54.A O no hydrogen 2.851 N/A THR 31.A OG1 GLY 7.A O no hydrogen 2.907 N/A THR 31.A OG1 ASP 40.A OD2 no hydrogen 2.936 N/A LYS 35.A N LYS 38.A O no hydrogen 3.183 N/A LYS 38.A N LYS 35.A O no hydrogen 2.657 N/A ASP 42.A N ASP 40.A OD2 no hydrogen 2.997 N/A GLY 43.A N ASP 40.A OD2 no hydrogen 3.277 N/A LEU 44.A N ASP 40.A O no hydrogen 3.023 N/A GLU 45.A N PRO 41.A O no hydrogen 3.080 N/A ALA 46.A N ASP 42.A O no hydrogen 3.262 N/A GLU 47.A N GLY 43.A O no hydrogen 2.990 N/A LYS 48.A N LEU 44.A O no hydrogen 3.037 N/A ASP 49.A N GLU 45.A O no hydrogen 3.030 N/A GLY 50.A N GLU 47.A O no hydrogen 2.902 N/A VAL 51.A N ALA 46.A O no hydrogen 2.999 N/A PHE 54.A N VAL 29.A O no hydrogen 2.858 N/A LYS 55.A NZ ASP 34.A OD2 no hydrogen 2.691 N/A ALA 61.A N GLN 64.A O no hydrogen 3.021 N/A GLN 64.A N ALA 61.A O no hydrogen 3.336 N/A LEU 66.A N TRP 59.A O no hydrogen 2.901 N/A VAL 70.A N LEU 66.A O no hydrogen 3.178 N/A ALA 71.A N PRO 67.A O no hydrogen 3.112 N/A LYS 72.A N GLU 68.A O no hydrogen 3.032 N/A LYS 72.A NZ GLU 68.A OE1 no hydrogen 3.445 N/A TYR 73.A N VAL 69.A O no hydrogen 2.930 N/A TYR 73.A OH ASN 81.A OD1 no hydrogen 2.590 N/A GLN 74.A N VAL 70.A O no hydrogen 2.833 N/A ALA 75.A N ALA 71.A O no hydrogen 3.267 N/A LEU 76.A N TYR 73.A O no hydrogen 3.290 N/A GLU 79.A N LYS 2.A O no hydrogen 2.826 N/A LEU 80.A N LYS 2.A O no hydrogen 3.290 N/A ASN 81.A N GLY 101.A O no hydrogen 2.963 N/A ASN 81.A ND2 VAL 94.A O no hydrogen 3.034 N/A ASN 81.A ND2 SER 102.A OG no hydrogen 2.873 N/A VAL 82.A N ALA 4.A O no hydrogen 2.804 N/A LEU 83.A N ILE 103.A O no hydrogen 2.841 N/A GLN 88.A N CYS 86.A O no hydrogen 2.224 N/A VAL 94.A N PRO 91.A O no hydrogen 2.929 N/A ILE 95.A N PRO 91.A O no hydrogen 3.063 N/A ASN 96.A N MET 92.A O no hydrogen 3.078 N/A ALA 97.A N VAL 94.A O no hydrogen 3.230 N/A HIS 100.A N GLU 79.A O no hydrogen 2.941 N/A GLY 101.A N PRO 98.A O no hydrogen 3.329 N/A SER 102.A OG ILE 95.A O no hydrogen 2.754 N/A ILE 103.A N ASN 81.A O no hydrogen 2.872 N/A ILE 104.A N PHE 135.A O no hydrogen 2.922 N/A TYR 105.A N LEU 83.A O no hydrogen 3.037 N/A TYR 105.A OH LEU 168.A O no hydrogen 2.870 N/A HIS 106.A N THR 133.A O no hydrogen 2.898 N/A HIS 106.A NE2 HIS 113.A O no hydrogen 2.829 N/A SER 108.A N HIS 106.A O no hydrogen 2.879 N/A SER 108.A OG HIS 106.A NE2 no hydrogen 2.995 N/A SER 108.A OG ARG 112.A O no hydrogen 2.612 N/A SER 108.A OG HIS 113.A O no hydrogen 3.190 N/A LEU 110.A N THR 133.A OG1 no hydrogen 3.210 N/A ARG 112.A N LEU 109.A O no hydrogen 2.855 N/A ARG 112.A NE ASP 127.A OD2 no hydrogen 3.263 N/A ARG 112.A NH2 ASP 127.A OD1 no hydrogen 2.736 N/A HIS 113.A N THR 199.A OG1 no hydrogen 2.997 N/A HIS 113.A ND1 GLU 201.A OE1 no hydrogen 2.789 N/A HIS 113.A NE2 ASP 127.A OD2 no hydrogen 2.690 N/A ARG 114.A N THR 199.A O no hydrogen 2.931 N/A ARG 114.A NE GLN 193.A OE1 no hydrogen 3.348 N/A ARG 114.A NH1 GLN 193.A OE1 no hydrogen 3.096 N/A ARG 114.A NH1 GLU 195.A OE1 no hydrogen 3.170 N/A ARG 114.A NH2 GLU 195.A OE2 no hydrogen 3.341 N/A GLY 115.A N ASP 142.A OD2 no hydrogen 2.864 N/A ASN 120.A ND2 GLY 226.A O no hydrogen 2.682 N/A ASN 120.A ND2 VAL 230.A O no hydrogen 3.397 N/A TRP 121.A N SER 117.A O no hydrogen 3.080 N/A TRP 121.A NE1 GLY 202.A O no hydrogen 3.018 N/A THR 122.A N ALA 118.A O no hydrogen 2.982 N/A THR 122.A OG1 ALA 118.A O no hydrogen 2.843 N/A LEU 123.A N ILE 119.A O no hydrogen 3.309 N/A LEU 123.A N ASN 120.A O no hydrogen 3.024 N/A ILE 124.A N ASN 120.A O no hydrogen 2.809 N/A HIS 125.A N TRP 121.A O no hydrogen 3.150 N/A GLY 126.A N LEU 123.A O no hydrogen 3.138 N/A ASP 127.A N THR 122.A O no hydrogen 3.127 N/A LYS 129.A NZ GLU 151.A OE2 no hydrogen 3.124 N/A GLY 130.A N CYS 152.A O no hydrogen 2.917 N/A PHE 132.A N LYS 150.A O no hydrogen 3.060 N/A THR 133.A N HIS 106.A O no hydrogen 2.685 N/A THR 133.A OG1 SER 108.A O no hydrogen 2.699 N/A ILE 134.A N LEU 148.A O no hydrogen 2.800 N/A PHE 135.A N ILE 104.A O no hydrogen 3.066 N/A TRP 136.A N ASP 145.A O no hydrogen 2.811 N/A TRP 136.A NE1 PRO 189.A O no hydrogen 3.022 N/A ALA 137.A N SER 102.A O no hydrogen 2.907 N/A GLY 140.A N ASP 138.A OD2 no hydrogen 2.927 N/A THR 143.A OG1 ASP 138.A OD2 no hydrogen 2.891 N/A LEU 146.A N CYS 191.A O no hydrogen 2.884 N/A LEU 147.A N ILE 134.A O no hydrogen 2.765 N/A LEU 148.A N ILE 134.A O no hydrogen 3.224 N/A GLN 149.A NE2 LEU 110.A O no hydrogen 3.003 N/A GLN 149.A NE2 THR 133.A OG1 no hydrogen 2.703 N/A LYS 150.A N PHE 132.A O no hydrogen 3.019 N/A CYS 152.A N GLY 130.A O no hydrogen 3.027 N/A CYS 152.A SG GLU 153.A O no hydrogen 3.196 N/A VAL 154.A N LYS 128.A O no hydrogen 2.985 N/A LEU 155.A N ASP 158.A OD1 no hydrogen 3.089 N/A ASP 158.A N LEU 155.A O no hydrogen 3.068 N/A THR 159.A N THR 162.A OG1 no hydrogen 2.787 N/A THR 159.A OG1 THR 162.A OG1 no hydrogen 3.315 N/A VAL 160.A N ARG 225.A O no hydrogen 3.177 N/A SER 161.A N ASP 228.A O no hydrogen 3.380 N/A THR 162.A N THR 159.A OG1 no hydrogen 3.080 N/A THR 162.A OG1 ASP 158.A OD2 no hydrogen 2.699 N/A THR 162.A OG1 THR 159.A O no hydrogen 3.259 N/A THR 162.A OG1 THR 159.A OG1 no hydrogen 3.315 N/A LEU 163.A N THR 159.A O no hydrogen 2.988 N/A TYR 164.A N VAL 160.A O no hydrogen 2.962 N/A ASN 165.A N SER 161.A O no hydrogen 2.653 N/A ARG 166.A N THR 162.A O no hydrogen 2.704 N/A ARG 166.A NH1 ASP 158.A OD1 no hydrogen 3.022 N/A ARG 166.A NH1 ASP 158.A OD2 no hydrogen 2.653 N/A ARG 166.A NH2 ASP 158.A OD1 no hydrogen 2.736 N/A PHE 167.A N LEU 163.A O no hydrogen 3.149 N/A LEU 168.A N LEU 163.A O no hydrogen 3.112 N/A PHE 169.A N TYR 164.A O no hydrogen 2.775 N/A GLU 171.A N PHE 167.A O no hydrogen 2.921 N/A GLY 172.A N LEU 168.A O no hydrogen 3.242 N/A ILE 173.A N PHE 169.A O no hydrogen 3.087 N/A LYS 174.A N PRO 170.A O no hydrogen 3.358 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.450 N/A GLY 175.A N GLU 171.A O no hydrogen 2.716 N/A MET 176.A N GLY 172.A O no hydrogen 2.893 N/A VAL 177.A N ILE 173.A O no hydrogen 3.031 N/A GLN 178.A N LYS 174.A O no hydrogen 2.869 N/A ALA 179.A N GLY 175.A O no hydrogen 2.962 N/A VAL 180.A N MET 176.A O no hydrogen 3.274 N/A ARG 181.A N VAL 177.A O no hydrogen 2.981 N/A LEU 182.A N GLN 178.A O no hydrogen 2.756 N/A ILE 183.A N ALA 179.A O no hydrogen 3.043 N/A ALA 184.A N VAL 180.A O no hydrogen 2.954 N/A GLU 185.A N ARG 181.A O no hydrogen 3.162 N/A GLU 185.A N LEU 182.A O no hydrogen 3.256 N/A THR 187.A N LEU 182.A O no hydrogen 3.048 N/A THR 187.A OG1 LEU 182.A O no hydrogen 3.561 N/A THR 187.A OG1 GLU 185.A OE1 no hydrogen 3.523 N/A ARG 190.A NH1 ASP 145.A OD1 no hydrogen 3.055 N/A CYS 191.A N LEU 146.A O no hydrogen 2.905 N/A GLN 193.A NE2 ASP 142.A O no hydrogen 3.051 N/A GLN 193.A NE2 GLY 144.A O no hydrogen 2.697 N/A GLU 196.A N SER 194.A OG no hydrogen 3.357 N/A ALA 198.A N GLU 195.A O no hydrogen 3.476 N/A THR 199.A N PRO 111.A O no hydrogen 3.193 N/A THR 199.A OG1 GLU 201.A OE2 no hydrogen 3.003 N/A GLU 201.A N ARG 114.A O no hydrogen 3.227 N/A GLN 204.A N SER 117.A OG no hydrogen 2.893 N/A GLN 204.A NE2 THR 208.A O no hydrogen 3.085 N/A GLN 204.A NE2 ASN 227.A OD1 no hydrogen 2.835 N/A LYS 205.A N THR 208.A OG1 no hydrogen 3.080 N/A LYS 205.A NZ GLU 207.A OE2 no hydrogen 3.328 N/A LYS 206.A NZ PRO 231.A O no hydrogen 3.339 N/A LYS 206.A NZ GLY 232.A O no hydrogen 3.192 N/A LYS 206.A NZ THR 243.A OG1 no hydrogen 2.741 N/A THR 208.A N LYS 205.A O no hydrogen 2.891 N/A THR 208.A OG1 ILE 203.A O no hydrogen 3.520 N/A THR 208.A OG1 GLN 204.A OE1 no hydrogen 3.385 N/A THR 208.A OG1 LYS 205.A O no hydrogen 3.105 N/A ALA 209.A N LYS 206.A O no hydrogen 3.247 N/A ILE 211.A N TRP 234.A O no hydrogen 2.884 N/A TRP 213.A NE1 THR 235.A OG1 no hydrogen 2.744 N/A ASP 214.A N ASN 212.A OD1 no hydrogen 3.144 N/A GLN 215.A NE2 ASN 212.A O no hydrogen 2.977 N/A ALA 217.A N ASP 283.A OD1 no hydrogen 3.103 N/A ILE 220.A N PRO 216.A O no hydrogen 3.148 N/A HIS 221.A N ALA 217.A O no hydrogen 2.812 N/A HIS 221.A ND1 SER 247.A OG no hydrogen 2.901 N/A HIS 221.A NE2 PRO 156.A O no hydrogen 2.878 N/A ASN 222.A N GLU 218.A O no hydrogen 2.754 N/A TRP 223.A N ALA 219.A O no hydrogen 2.750 N/A TRP 223.A NE1 ALA 209.A O no hydrogen 3.042 N/A ILE 224.A N ILE 220.A O no hydrogen 2.931 N/A ARG 225.A N HIS 221.A O no hydrogen 2.993 N/A ARG 225.A NE ASN 222.A OD1 no hydrogen 2.710 N/A ARG 225.A NH1 LEU 155.A O no hydrogen 2.980 N/A ARG 225.A NH1 ASP 158.A O no hydrogen 2.984 N/A ARG 225.A NH2 ASN 222.A OD1 no hydrogen 2.778 N/A GLY 226.A N ASN 222.A O no hydrogen 2.851 N/A ASN 227.A N ILE 224.A O no hydrogen 3.177 N/A ASN 227.A ND2 TRP 223.A O no hydrogen 2.685 N/A ASP 228.A N ARG 225.A O no hydrogen 3.161 N/A LYS 229.A N ASN 227.A O no hydrogen 2.977 N/A GLY 232.A N ASN 227.A O no hydrogen 2.793 N/A TRP 234.A N ALA 209.A O no hydrogen 3.393 N/A TRP 234.A NE1 LYS 206.A O no hydrogen 2.639 N/A THR 235.A N LEU 242.A O no hydrogen 2.967 N/A ALA 237.A N GLN 240.A O no hydrogen 2.895 N/A GLN 240.A NE2 CYS 238.A O no hydrogen 3.048 N/A LEU 242.A N THR 235.A O no hydrogen 2.674 N/A THR 243.A N GLN 293.A O no hydrogen 3.149 N/A PHE 244.A N ALA 233.A O no hydrogen 2.820 N/A PHE 245.A N ASN 291.A O no hydrogen 2.804 N/A ASN 246.A N ASP 228.A OD1 no hydrogen 2.816 N/A ASN 246.A ND2 ASN 291.A OD1 no hydrogen 2.695 N/A SER 247.A OG HIS 221.A ND1 no hydrogen 2.901 N/A THR 248.A N LEU 288.A O no hydrogen 2.801 N/A THR 248.A OG1 ASP 157.A OD1 no hydrogen 3.321 N/A THR 248.A OG1 ASP 157.A OD2 no hydrogen 2.844 N/A ASN 250.A N THR 248.A OG1 no hydrogen 3.113 N/A THR 251.A N LEU 249.A O no hydrogen 2.951 N/A LEU 254.A N THR 251.A O no hydrogen 2.813 N/A GLN 257.A N SER 255.A OG no hydrogen 3.331 N/A LEU 261.A N GLY 270.A O no hydrogen 2.731 N/A ALA 266.A N ILE 263.A O no hydrogen 3.160 N/A VAL 272.A N GLU 259.A O no hydrogen 2.758 N/A THR 273.A N GLY 276.A O no hydrogen 2.807 N/A THR 273.A OG1 GLY 276.A O no hydrogen 3.013 N/A LYS 274.A N GLN 257.A OE1 no hydrogen 2.794 N/A ALA 275.A N THR 273.A OG1 no hydrogen 3.137 N/A GLY 276.A N THR 273.A O no hydrogen 3.077 N/A LEU 277.A N VAL 289.A O no hydrogen 2.746 N/A ILE 278.A N VAL 271.A O no hydrogen 2.914 N/A LEU 279.A N LEU 287.A O no hydrogen 2.715 N/A GLY 281.A N ARG 285.A O no hydrogen 3.063 N/A ASN 282.A N GLN 215.A O no hydrogen 3.027 N/A ASN 282.A ND2 ASP 214.A OD2 no hydrogen 2.908 N/A ASP 284.A N GLY 281.A O no hydrogen 3.004 N/A ARG 285.A N ASP 283.A OD1 no hydrogen 3.371 N/A LEU 287.A N LEU 279.A O no hydrogen 2.701 N/A LEU 288.A N THR 248.A O no hydrogen 2.765 N/A VAL 289.A N LEU 277.A O no hydrogen 2.885 N/A LYS 290.A N ASN 246.A O no hydrogen 3.137 N/A ASN 291.A N PHE 245.A O no hydrogen 3.053 N/A ASN 291.A ND2 MET 300.A O no hydrogen 3.144 N/A ILE 292.A N MET 300.A O no hydrogen 3.030 N/A GLN 293.A N THR 243.A O no hydrogen 2.890 N/A GLN 293.A NE2 GLY 297.A O no hydrogen 3.180 N/A LEU 294.A N LYS 298.A O no hydrogen 2.947 N/A GLU 295.A N GLN 240.A OE1 no hydrogen 3.306 N/A GLY 297.A N LEU 294.A O no hydrogen 2.728 N/A MET 300.A N ILE 292.A O no hydrogen 3.023 N/A ALA 302.A N LYS 290.A O no hydrogen 2.632 N/A GLN 304.A N PRO 301.A O no hydrogen 3.179 N/A PHE 305.A N ALA 302.A O no hydrogen 3.234 N/A LYS 307.A N GLN 304.A O no hydrogen 2.898 N/A