Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ASN 66.A O no hydrogen 2.796 N/A VAL 4.A N GLN 1.A O no hydrogen 2.994 N/A HIS 5.A ND1 SER 102.A O no hydrogen 2.674 N/A SER 9.A N ASP 7.A OD1 no hydrogen 3.156 N/A SER 9.A OG ASP 7.A OD1 no hydrogen 3.172 N/A ALA 10.A N ASP 7.A O no hydrogen 3.049 N/A LEU 11.A N LEU 8.A O no hydrogen 3.151 N/A VAL 16.A N ASN 12.A O no hydrogen 3.153 N/A GLN 17.A N PRO 13.A O no hydrogen 2.845 N/A ALA 18.A N GLU 14.A O no hydrogen 2.907 N/A VAL 19.A N LEU 15.A O no hydrogen 2.813 N/A GLN 20.A N VAL 16.A O no hydrogen 2.897 N/A HIS 21.A N GLN 17.A O no hydrogen 2.858 N/A VAL 22.A N VAL 19.A O no hydrogen 3.084 N/A VAL 23.A N GLN 20.A O no hydrogen 3.295 N/A ILE 24.A N ILE 98.A O no hydrogen 2.842 N/A SER 28.A N GLY 25.A O no hydrogen 3.031 N/A LEU 29.A N PRO 26.A O no hydrogen 3.504 N/A ILE 30.A N THR 49.A O no hydrogen 2.889 N/A HIS 32.A N HIS 47.A O no hydrogen 2.869 N/A HIS 32.A NE2 THR 49.A OG1 no hydrogen 2.908 N/A GLU 35.A N HIS 32.A O no hydrogen 2.893 N/A ILE 37.A N VAL 45.A O no hydrogen 2.698 N/A GLY 38.A N VAL 45.A O no hydrogen 3.411 N/A GLY 40.A N GLY 43.A O no hydrogen 2.866 N/A HIS 41.A NE2 ASP 157.A OD2 no hydrogen 2.755 N/A VAL 45.A N GLY 38.A O no hydrogen 2.847 N/A TYR 46.A N VAL 62.A O no hydrogen 2.832 N/A HIS 47.A N GLU 35.A O no hydrogen 3.154 N/A HIS 47.A ND1 HIS 59.A NE2 no hydrogen 2.814 N/A GLY 48.A N CYS 60.A O no hydrogen 2.968 N/A THR 49.A N ILE 30.A O no hydrogen 2.851 N/A THR 49.A OG1 HIS 32.A NE2 no hydrogen 2.908 N/A LEU 50.A N ILE 58.A O no hydrogen 2.772 N/A LEU 51.A N SER 28.A O no hydrogen 2.815 N/A ASP 52.A N LYS 56.A O no hydrogen 2.880 N/A ASP 54.A N ASP 52.A OD1 no hydrogen 2.782 N/A GLY 55.A N ASP 52.A O no hydrogen 2.973 N/A LYS 56.A N ASP 52.A OD1 no hydrogen 2.846 N/A ILE 58.A N LEU 50.A O no hydrogen 2.818 N/A HIS 59.A NE2 HIS 47.A ND1 no hydrogen 2.814 N/A CYS 60.A N GLY 48.A O no hydrogen 2.934 N/A ALA 61.A N LEU 110.A O no hydrogen 2.716 N/A VAL 62.A N TYR 46.A O no hydrogen 2.775 N/A LYS 63.A N VAL 108.A O no hydrogen 2.817 N/A LYS 63.A NZ GLU 80.A OE2 no hydrogen 2.682 N/A LYS 63.A NZ ASP 175.A OD1 no hydrogen 2.782 N/A SER 64.A N CYS 44.A O no hydrogen 3.266 N/A LEU 65.A N SER 105.A OG no hydrogen 2.819 N/A ASN 66.A N PHE 42.A O no hydrogen 3.017 N/A VAL 74.A N ASP 70.A O no hydrogen 3.378 N/A SER 75.A N ILE 71.A O no hydrogen 2.801 N/A GLN 76.A N GLY 72.A O no hydrogen 3.083 N/A PHE 77.A N GLU 73.A O no hydrogen 2.970 N/A LEU 78.A N VAL 74.A O no hydrogen 2.923 N/A THR 79.A N SER 75.A O no hydrogen 3.000 N/A THR 79.A OG1 SER 75.A O no hydrogen 2.676 N/A GLU 80.A N GLN 76.A O no hydrogen 3.118 N/A GLU 80.A N PHE 77.A O no hydrogen 3.175 N/A GLY 81.A N LEU 78.A O no hydrogen 3.087 N/A ILE 82.A N LEU 78.A O no hydrogen 2.872 N/A ILE 83.A N THR 79.A O no hydrogen 2.824 N/A MET 84.A N GLY 81.A O no hydrogen 3.208 N/A LYS 85.A N ILE 82.A O no hydrogen 3.156 N/A LYS 85.A NZ ASP 86.A OD2 no hydrogen 2.694 N/A PHE 87.A N MET 84.A O no hydrogen 3.184 N/A SER 88.A N TYR 147.A OH no hydrogen 2.849 N/A ASN 91.A N HIS 89.A ND1 no hydrogen 3.014 N/A ASN 91.A ND2 GLN 140.A OE1 no hydrogen 3.001 N/A ASN 91.A ND2 VAL 171.A O no hydrogen 2.979 N/A VAL 92.A N HIS 89.A O no hydrogen 3.240 N/A LEU 93.A N VAL 173.A O no hydrogen 2.989 N/A SER 94.A OG PHE 87.A O no hydrogen 3.373 N/A LEU 96.A N VAL 109.A O no hydrogen 2.830 N/A GLY 97.A N VAL 109.A O no hydrogen 3.272 N/A ILE 98.A N VAL 22.A O no hydrogen 2.998 N/A CYS 99.A N LEU 107.A O no hydrogen 2.926 N/A CYS 99.A SG ILE 24.A O no hydrogen 3.563 N/A GLY 104.A N VAL 4.A O no hydrogen 2.953 N/A SER 105.A OG PRO 106.A O no hydrogen 2.638 N/A LEU 107.A N CYS 99.A O no hydrogen 2.737 N/A VAL 108.A N LYS 63.A O no hydrogen 2.956 N/A VAL 109.A N GLY 97.A O no hydrogen 2.769 N/A LEU 110.A N ALA 61.A O no hydrogen 2.809 N/A HIS 115.A N LEU 165.A O no hydrogen 3.013 N/A GLY 116.A N MET 113.A O no hydrogen 2.995 N/A LEU 118.A N CYS 163.A O no hydrogen 2.781 N/A ASN 120.A N ASP 117.A OD2 no hydrogen 2.928 N/A ASN 120.A ND2 ASP 117.A OD1 no hydrogen 2.677 N/A PHE 121.A N ASP 117.A O no hydrogen 3.088 N/A ILE 122.A N LEU 118.A O no hydrogen 3.108 N/A ARG 123.A N ARG 119.A O no hydrogen 3.181 N/A ARG 123.A NH2 GLY 227.A O no hydrogen 2.775 N/A ASN 124.A N PHE 121.A O no hydrogen 3.263 N/A THR 126.A N ASN 124.A OD1 no hydrogen 2.841 N/A HIS 127.A ND1 PHE 121.A O no hydrogen 2.768 N/A ASN 128.A N ASN 124.A O no hydrogen 3.109 N/A THR 130.A N ASP 133.A OD2 no hydrogen 3.236 N/A THR 130.A OG1 GLU 294.A O no hydrogen 2.637 N/A LYS 132.A NZ PHE 288.A O no hydrogen 2.729 N/A LYS 132.A NZ PHE 291.A O no hydrogen 2.817 N/A ASP 133.A N THR 130.A OG1 no hydrogen 3.114 N/A LEU 134.A N THR 130.A O no hydrogen 3.058 N/A ILE 135.A N VAL 131.A O no hydrogen 3.047 N/A GLY 136.A N LYS 132.A O no hydrogen 2.946 N/A PHE 137.A N ASP 133.A O no hydrogen 3.005 N/A GLY 138.A N LEU 134.A O no hydrogen 3.033 N/A LEU 139.A N ILE 135.A O no hydrogen 2.871 N/A GLN 140.A N GLY 136.A O no hydrogen 2.997 N/A GLN 140.A NE2 PHE 169.A O no hydrogen 3.456 N/A GLN 140.A NE2 HIS 299.A ND1 no hydrogen 3.064 N/A VAL 141.A N PHE 137.A O no hydrogen 3.035 N/A ALA 142.A N GLY 138.A O no hydrogen 3.048 N/A LYS 143.A N LEU 139.A O no hydrogen 3.001 N/A GLY 144.A N GLN 140.A O no hydrogen 2.988 N/A MET 145.A N VAL 141.A O no hydrogen 2.910 N/A LYS 146.A N ALA 142.A O no hydrogen 2.947 N/A TYR 147.A N LYS 143.A O no hydrogen 3.189 N/A LEU 148.A N GLY 144.A O no hydrogen 2.966 N/A ALA 149.A N MET 145.A O no hydrogen 2.905 N/A SER 150.A N LYS 146.A O no hydrogen 3.056 N/A SER 150.A OG TYR 147.A O no hydrogen 2.560 N/A LYS 151.A N TYR 147.A O no hydrogen 3.301 N/A LYS 151.A N LEU 148.A O no hydrogen 3.143 N/A LYS 151.A NZ TYR 147.A OH no hydrogen 2.968 N/A LYS 152.A N ALA 149.A O no hydrogen 3.014 N/A LYS 152.A NZ ALA 149.A O no hydrogen 3.260 N/A LYS 152.A NZ SER 150.A O no hydrogen 3.495 N/A PHE 153.A N LEU 148.A O no hydrogen 3.312 N/A VAL 154.A N ARG 180.A O no hydrogen 2.864 N/A HIS 155.A N ASP 212.A OD2 no hydrogen 2.766 N/A HIS 155.A NE2 ASP 175.A O no hydrogen 2.603 N/A ARG 156.A N ASP 212.A OD1 no hydrogen 2.991 N/A ARG 156.A NE LEU 178.A O no hydrogen 2.694 N/A ARG 156.A NH2 LEU 178.A O no hydrogen 2.991 N/A ASP 157.A N HIS 155.A ND1 no hydrogen 3.061 N/A ALA 160.A N GLU 222.A OE1 no hydrogen 2.861 N/A ASN 162.A N ALA 159.A O no hydrogen 3.055 N/A ASN 162.A ND2 ASP 157.A O no hydrogen 2.832 N/A CYS 163.A N ALA 160.A O no hydrogen 3.111 N/A CYS 163.A SG ALA 159.A O no hydrogen 3.807 N/A MET 164.A N LYS 172.A O no hydrogen 2.870 N/A LEU 165.A N GLY 116.A O no hydrogen 2.910 N/A ASP 166.A N THR 170.A O no hydrogen 3.038 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.782 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.748 N/A PHE 169.A N ASP 166.A O no hydrogen 2.861 N/A THR 170.A N ASP 166.A OD1 no hydrogen 3.056 N/A THR 170.A OG1 ASP 166.A OD1 no hydrogen 3.533 N/A VAL 171.A N GLN 140.A OE1 no hydrogen 2.899 N/A LYS 172.A N MET 164.A O no hydrogen 2.792 N/A LYS 172.A NZ PRO 90.A O no hydrogen 2.737 N/A VAL 173.A N ASN 91.A O no hydrogen 2.916 N/A ALA 174.A N ASN 162.A O no hydrogen 2.802 N/A ASP 175.A N ASN 162.A O no hydrogen 3.177 N/A GLY 177.A N ASP 175.A OD2 no hydrogen 3.014 N/A ALA 179.A N PHE 176.A O no hydrogen 3.281 N/A ARG 180.A N VAL 154.A O no hydrogen 2.949 N/A ARG 180.A NH1 ALA 179.A O no hydrogen 2.939 N/A MET 182.A N LYS 152.A O no hydrogen 2.797 N/A TYR 183.A N ASP 181.A OD1 no hydrogen 2.951 N/A LYS 185.A N MET 182.A O no hydrogen 2.839 N/A VAL 188.A N GLN 205.A O no hydrogen 3.213 N/A VAL 194.A N LEU 192.A O no hydrogen 3.076 N/A LYS 195.A NZ TYR 231.A O no hydrogen 2.627 N/A LYS 195.A NZ VAL 234.A O no hydrogen 2.769 N/A TRP 196.A N PRO 193.A O no hydrogen 2.990 N/A TRP 196.A NE1 GLU 222.A OE1 no hydrogen 2.933 N/A MET 197.A N VAL 194.A O no hydrogen 3.247 N/A GLU 200.A N GLU 200.A OE2 no hydrogen 2.748 N/A SER 201.A OG LYS 206.A O no hydrogen 2.922 N/A LEU 202.A N ALA 198.A O no hydrogen 3.110 N/A GLN 203.A N LEU 199.A O no hydrogen 3.101 N/A THR 204.A N GLU 200.A O no hydrogen 2.804 N/A THR 204.A OG1 GLU 200.A O no hydrogen 2.661 N/A GLN 205.A N SER 201.A O no hydrogen 2.795 N/A LYS 206.A N THR 204.A OG1 no hydrogen 3.320 N/A THR 208.A N SER 211.A OG no hydrogen 2.798 N/A LYS 210.A NZ ARG 274.A O no hydrogen 3.096 N/A SER 211.A N THR 208.A O no hydrogen 3.024 N/A SER 211.A N THR 208.A OG1 no hydrogen 3.151 N/A SER 211.A OG THR 208.A O no hydrogen 2.756 N/A ASP 212.A N THR 208.A O no hydrogen 3.113 N/A VAL 213.A N THR 209.A O no hydrogen 2.935 N/A TRP 214.A N LYS 210.A O no hydrogen 3.378 N/A SER 215.A N SER 211.A O no hydrogen 3.187 N/A SER 215.A OG TRP 196.A O no hydrogen 2.613 N/A SER 215.A OG SER 211.A O no hydrogen 3.313 N/A PHE 216.A N ASP 212.A O no hydrogen 2.875 N/A GLY 217.A N VAL 213.A O no hydrogen 3.055 N/A VAL 218.A N TRP 214.A O no hydrogen 3.213 N/A LEU 219.A N SER 215.A O no hydrogen 2.851 N/A LEU 220.A N PHE 216.A O no hydrogen 2.942 N/A TRP 221.A N GLY 217.A O no hydrogen 3.146 N/A TRP 221.A NE1 LEU 250.A O no hydrogen 2.793 N/A GLU 222.A N VAL 218.A O no hydrogen 2.943 N/A LEU 223.A N LEU 219.A O no hydrogen 2.966 N/A MET 224.A N LEU 220.A O no hydrogen 2.990 N/A THR 225.A N TRP 221.A O no hydrogen 3.038 N/A THR 225.A OG1 TRP 221.A O no hydrogen 2.911 N/A THR 225.A OG1 GLU 222.A O no hydrogen 3.051 N/A ARG 226.A N LEU 223.A O no hydrogen 3.008 N/A ARG 226.A NH1 PRO 129.A O no hydrogen 2.607 N/A ARG 226.A NH2 PRO 129.A O no hydrogen 2.754 N/A GLY 227.A N GLU 222.A O no hydrogen 2.661 N/A ALA 228.A N THR 225.A OG1 no hydrogen 3.167 N/A VAL 234.A N TYR 231.A O no hydrogen 3.174 N/A ASN 235.A ND2 ASP 238.A OD2 no hydrogen 2.937 N/A ASP 238.A N ASN 235.A O no hydrogen 2.895 N/A ILE 239.A N THR 236.A O no hydrogen 3.296 N/A TYR 242.A N ASP 238.A O no hydrogen 3.058 N/A LEU 243.A N ILE 239.A O no hydrogen 2.939 N/A LEU 244.A N THR 240.A O no hydrogen 3.017 N/A GLN 245.A N VAL 241.A O no hydrogen 3.139 N/A GLY 246.A N LEU 243.A O no hydrogen 3.056 N/A ARG 247.A NH2 GLN 245.A OE1 no hydrogen 2.875 N/A ARG 248.A NE TRP 267.A O no hydrogen 2.944 N/A ARG 248.A NH1 LEU 243.A O no hydrogen 2.996 N/A ARG 248.A NH1 ARG 247.A O no hydrogen 3.034 N/A ARG 248.A NH2 TRP 267.A O no hydrogen 2.829 N/A GLN 251.A NE2 CYS 255.A O no hydrogen 2.894 N/A GLN 251.A NE2 ASP 257.A OD1 no hydrogen 2.808 N/A CYS 255.A N PRO 252.A O no hydrogen 3.125 N/A CYS 255.A SG PRO 256.A O no hydrogen 3.356 N/A LEU 259.A N PRO 256.A O no hydrogen 3.100 N/A TYR 260.A N PRO 256.A O no hydrogen 3.180 N/A TYR 260.A OH LEU 249.A O no hydrogen 2.645 N/A GLU 261.A N ASP 257.A O no hydrogen 3.081 N/A VAL 262.A N PRO 258.A O no hydrogen 3.303 N/A MET 263.A N LEU 259.A O no hydrogen 3.124 N/A LEU 264.A N TYR 260.A O no hydrogen 2.994 N/A LYS 265.A N GLU 261.A O no hydrogen 3.092 N/A CYS 266.A N VAL 262.A O no hydrogen 3.100 N/A CYS 266.A SG VAL 262.A O no hydrogen 3.406 N/A TRP 267.A N MET 263.A O no hydrogen 3.276 N/A TRP 267.A N LEU 264.A O no hydrogen 3.169 N/A HIS 268.A N LYS 265.A O no hydrogen 3.296 N/A LYS 270.A N HIS 268.A ND1 no hydrogen 3.138 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.883 N/A MET 273.A N LYS 270.A O no hydrogen 2.929 N/A ARG 274.A N ALA 271.A O no hydrogen 3.093 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.773 N/A ARG 274.A NH1 GLU 200.A OE1 no hydrogen 2.962 N/A ARG 274.A NH1 LYS 210.A O no hydrogen 2.803 N/A ARG 274.A NH2 GLU 200.A OE1 no hydrogen 3.439 N/A ARG 274.A NH2 GLU 200.A OE2 no hydrogen 2.798 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 2.958 N/A GLU 279.A N SER 276.A OG no hydrogen 3.203 N/A LEU 280.A N SER 276.A O no hydrogen 3.010 N/A VAL 281.A N PHE 277.A O no hydrogen 2.924 N/A SER 282.A N SER 278.A O no hydrogen 3.105 N/A SER 282.A OG SER 278.A O no hydrogen 3.198 N/A ARG 283.A N GLU 279.A O no hydrogen 2.876 N/A ARG 283.A NE GLU 279.A OE2 no hydrogen 2.760 N/A ARG 283.A NH1 GLU 279.A OE2 no hydrogen 3.113 N/A ILE 284.A N LEU 280.A O no hydrogen 2.950 N/A SER 285.A N VAL 281.A O no hydrogen 2.947 N/A ALA 286.A N SER 282.A O no hydrogen 3.127 N/A ILE 287.A N ARG 283.A O no hydrogen 3.045 N/A PHE 288.A N ILE 284.A O no hydrogen 2.875 N/A SER 289.A N SER 285.A O no hydrogen 2.967 N/A SER 289.A OG ALA 286.A O no hydrogen 3.355 N/A THR 290.A N ALA 286.A O no hydrogen 3.194 N/A THR 290.A N ILE 287.A O no hydrogen 3.263 N/A THR 290.A OG1 ALA 286.A O no hydrogen 2.685 N/A THR 290.A OG1 ILE 287.A O no hydrogen 3.287 N/A PHE 291.A N PHE 288.A O no hydrogen 3.472 N/A HIS 296.A N ASP 133.A OD1 no hydrogen 2.832 N/A HIS 296.A ND1 ASP 133.A OD2 no hydrogen 2.902 N/A