Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLU 96.A OE1 no hydrogen 2.721 N/A ILE 4.A N GLU 96.A OE2 no hydrogen 2.754 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.237 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.809 N/A SER 7.A OG ASP 5.A OD2 no hydrogen 3.115 N/A ALA 8.A N ASP 5.A O no hydrogen 3.448 N/A LEU 9.A N LEU 6.A O no hydrogen 2.998 N/A GLU 12.A N ASN 10.A OD1 no hydrogen 2.725 N/A LEU 13.A N ASN 10.A OD1 no hydrogen 3.224 N/A VAL 14.A N ASN 10.A O no hydrogen 2.981 N/A GLN 15.A N PRO 11.A O no hydrogen 3.075 N/A ALA 16.A N GLU 12.A O no hydrogen 3.065 N/A VAL 17.A N LEU 13.A O no hydrogen 3.214 N/A GLN 18.A N GLN 15.A O no hydrogen 3.373 N/A VAL 20.A N VAL 17.A O no hydrogen 3.088 N/A VAL 21.A N VAL 17.A O no hydrogen 3.148 N/A VAL 21.A N GLN 18.A O no hydrogen 3.068 N/A ILE 22.A N ILE 91.A O no hydrogen 3.213 N/A SER 26.A N GLY 23.A O no hydrogen 2.933 N/A SER 26.A OG GLY 23.A O no hydrogen 3.547 N/A ILE 28.A N THR 47.A O no hydrogen 2.817 N/A HIS 30.A N HIS 45.A O no hydrogen 3.022 N/A PHE 31.A N VAL 29.A O no hydrogen 3.014 N/A GLU 33.A N HIS 30.A O no hydrogen 3.228 N/A ILE 35.A N VAL 43.A O no hydrogen 2.804 N/A GLY 36.A N VAL 43.A O no hydrogen 3.187 N/A GLY 38.A N GLY 41.A O no hydrogen 2.966 N/A HIS 39.A N ASP 174.A OD1 no hydrogen 2.972 N/A PHE 40.A N ASP 174.A OD2 no hydrogen 2.930 N/A GLY 41.A N GLY 38.A O no hydrogen 3.486 N/A VAL 43.A N GLY 36.A O no hydrogen 2.722 N/A TYR 44.A N VAL 55.A O no hydrogen 2.704 N/A HIS 45.A N GLU 33.A O no hydrogen 3.382 N/A GLY 46.A N CYS 53.A O no hydrogen 2.910 N/A THR 47.A N ILE 28.A O no hydrogen 2.884 N/A LEU 48.A N ILE 51.A O no hydrogen 3.039 N/A ILE 51.A N LEU 48.A O no hydrogen 3.213 N/A CYS 53.A N GLY 46.A O no hydrogen 2.849 N/A ALA 54.A N LEU 103.A O no hydrogen 2.678 N/A VAL 55.A N TYR 44.A O no hydrogen 2.776 N/A LYS 56.A N VAL 101.A O no hydrogen 2.737 N/A LYS 56.A NZ ASP 174.A OD2 no hydrogen 2.664 N/A LYS 56.A NZ TYR 176.A OH no hydrogen 3.051 N/A SER 57.A N CYS 42.A O no hydrogen 2.906 N/A LEU 58.A N PRO 99.A O no hydrogen 2.968 N/A ARG 60.A NH1 VAL 2.A O no hydrogen 3.270 N/A ARG 60.A NH1 GLU 96.A O no hydrogen 2.718 N/A ARG 60.A NH2 VAL 2.A O no hydrogen 2.950 N/A ILE 61.A N GLY 97.A O no hydrogen 2.723 N/A GLU 66.A N ASP 63.A OD1 no hydrogen 3.414 N/A VAL 67.A N ASP 63.A O no hydrogen 2.946 N/A SER 68.A N ILE 64.A O no hydrogen 3.009 N/A SER 68.A OG ILE 64.A O no hydrogen 2.770 N/A GLN 69.A N GLY 65.A O no hydrogen 3.062 N/A PHE 70.A N GLU 66.A O no hydrogen 3.080 N/A LEU 71.A N VAL 67.A O no hydrogen 3.040 N/A THR 72.A N SER 68.A O no hydrogen 2.974 N/A THR 72.A OG1 SER 68.A O no hydrogen 2.778 N/A GLU 73.A N GLN 69.A O no hydrogen 3.007 N/A GLY 74.A N PHE 70.A O no hydrogen 3.126 N/A ILE 75.A N LEU 71.A O no hydrogen 3.227 N/A ILE 76.A N THR 72.A O no hydrogen 3.234 N/A MET 77.A N GLU 73.A O no hydrogen 2.876 N/A LYS 78.A N GLY 74.A O no hydrogen 2.858 N/A LYS 78.A NZ LEU 88.A O no hydrogen 3.284 N/A LYS 78.A NZ LEU 89.A O no hydrogen 3.062 N/A ASP 79.A N ILE 76.A O no hydrogen 3.054 N/A PHE 80.A N MET 77.A O no hydrogen 2.782 N/A ASN 84.A N HIS 82.A ND1 no hydrogen 2.940 N/A ASN 84.A ND2 VAL 164.A O no hydrogen 3.041 N/A VAL 85.A N HIS 82.A O no hydrogen 3.057 N/A LEU 86.A N VAL 166.A O no hydrogen 2.820 N/A SER 87.A OG.A HIS 82.A O no hydrogen 3.443 N/A SER 87.A OG.A VAL 85.A O no hydrogen 2.723 N/A LEU 89.A N VAL 102.A O no hydrogen 2.940 N/A GLY 90.A N VAL 102.A O no hydrogen 3.326 N/A ILE 91.A N VAL 20.A O no hydrogen 2.739 N/A CYS 92.A N LEU 100.A O no hydrogen 2.752 N/A ARG 94.A N SER 98.A O no hydrogen 3.024 N/A GLY 97.A N ARG 94.A O no hydrogen 3.098 N/A LEU 100.A N CYS 92.A O no hydrogen 2.675 N/A VAL 101.A N LYS 56.A O no hydrogen 2.782 N/A VAL 102.A N GLY 90.A O no hydrogen 2.958 N/A LEU 103.A N ALA 54.A O no hydrogen 2.702 N/A HIS 108.A N LEU 158.A O no hydrogen 2.984 N/A HIS 108.A ND1 ASP 159.A O no hydrogen 3.216 N/A GLY 109.A N MET 106.A O no hydrogen 3.038 N/A LEU 111.A N CYS 156.A O no hydrogen 2.745 N/A ASN 113.A N ASP 110.A OD2 no hydrogen 2.990 N/A ASN 113.A ND2 ASP 110.A OD1 no hydrogen 2.876 N/A PHE 114.A N ASP 110.A O no hydrogen 3.112 N/A ILE 115.A N LEU 111.A O no hydrogen 3.159 N/A ARG 116.A N ARG 112.A O no hydrogen 3.082 N/A ARG 116.A NH1 GLY 213.A O no hydrogen 2.970 N/A ASN 117.A N ASN 113.A O no hydrogen 3.217 N/A ASN 117.A N PHE 114.A O no hydrogen 3.333 N/A THR 119.A N ASN 117.A OD1 no hydrogen 2.762 N/A THR 119.A OG1 ASN 117.A OD1 no hydrogen 2.548 N/A HIS 120.A N ASN 117.A O no hydrogen 2.989 N/A HIS 120.A ND1 PHE 114.A O no hydrogen 2.800 N/A THR 123.A N ASP 126.A OD2 no hydrogen 3.328 N/A VAL 124.A N HIS 281.A O no hydrogen 2.800 N/A LYS 125.A NZ PHE 274.A O no hydrogen 2.921 N/A LYS 125.A NZ PHE 277.A O no hydrogen 3.034 N/A ASP 126.A N THR 123.A OG1 no hydrogen 3.108 N/A LEU 127.A N THR 123.A O no hydrogen 3.183 N/A ILE 128.A N VAL 124.A O no hydrogen 2.955 N/A GLY 129.A N LYS 125.A O no hydrogen 2.939 N/A PHE 130.A N ASP 126.A O no hydrogen 3.039 N/A GLY 131.A N LEU 127.A O no hydrogen 3.071 N/A LEU 132.A N ILE 128.A O no hydrogen 2.777 N/A GLN 133.A N GLY 129.A O no hydrogen 2.938 N/A GLN 133.A NE2 PHE 162.A O no hydrogen 3.224 N/A VAL 134.A N PHE 130.A O no hydrogen 2.991 N/A ALA 135.A N GLY 131.A O no hydrogen 2.983 N/A LYS 136.A N LEU 132.A O no hydrogen 2.980 N/A GLY 137.A N GLN 133.A O no hydrogen 3.004 N/A MET 138.A N VAL 134.A O no hydrogen 2.840 N/A LYS 139.A N ALA 135.A O no hydrogen 2.738 N/A PHE 140.A N LYS 136.A O no hydrogen 3.096 N/A LEU 141.A N GLY 137.A O no hydrogen 2.971 N/A ALA 142.A N MET 138.A O no hydrogen 2.766 N/A SER 143.A N LYS 139.A O no hydrogen 3.086 N/A SER 143.A OG PHE 140.A O no hydrogen 2.582 N/A LYS 144.A N PHE 140.A O no hydrogen 3.215 N/A LYS 144.A N LEU 141.A O no hydrogen 3.151 N/A LYS 145.A N ALA 142.A O no hydrogen 2.891 N/A PHE 146.A N LEU 141.A O no hydrogen 3.053 N/A HIS 148.A N ASP 198.A OD2 no hydrogen 2.775 N/A HIS 148.A NE2 ALA 167.A O no hydrogen 2.709 N/A ARG 149.A N ASP 198.A OD1 no hydrogen 3.019 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 3.150 N/A ALA 153.A N GLU 208.A OE2 no hydrogen 2.897 N/A ARG 154.A NH2 ASP 150.A OD1 no hydrogen 3.193 N/A ASN 155.A N ALA 152.A O no hydrogen 2.903 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.655 N/A CYS 156.A N ALA 153.A O no hydrogen 3.269 N/A CYS 156.A SG ALA 152.A O no hydrogen 3.712 N/A MET 157.A N LYS 165.A O no hydrogen 2.883 N/A LEU 158.A N GLY 109.A O no hydrogen 2.801 N/A ASP 159.A N THR 163.A O no hydrogen 3.088 N/A LYS 161.A N ASP 159.A OD1 no hydrogen 2.893 N/A PHE 162.A N ASP 159.A O no hydrogen 2.894 N/A THR 163.A N ASP 159.A OD1 no hydrogen 2.961 N/A VAL 164.A N GLN 133.A OE1 no hydrogen 2.699 N/A LYS 165.A N MET 157.A O no hydrogen 2.784 N/A LYS 165.A NZ PRO 83.A O no hydrogen 2.615 N/A VAL 166.A N ASN 84.A O no hydrogen 2.841 N/A ALA 167.A N ASN 155.A O no hydrogen 3.019 N/A ALA 172.A N PHE 169.A O no hydrogen 2.970 N/A ARG 173.A N GLY 170.A O no hydrogen 3.165 N/A ARG 173.A NH1 HIS 148.A O no hydrogen 2.752 N/A ARG 173.A NH2 HIS 148.A O no hydrogen 2.693 N/A ARG 173.A NH2 ASP 168.A O no hydrogen 3.010 N/A ASP 174.A N ASP 168.A OD2 no hydrogen 2.907 N/A MET 175.A N ASP 174.A OD1 no hydrogen 2.765 N/A TYR 176.A OH ALA 172.A O no hydrogen 2.523 N/A VAL 180.A N LEU 178.A O no hydrogen 2.795 N/A LYS 181.A NZ PRO 216.A O no hydrogen 3.364 N/A LYS 181.A NZ TYR 217.A O no hydrogen 2.996 N/A LYS 181.A NZ VAL 220.A O no hydrogen 3.248 N/A TRP 182.A N PRO 179.A O no hydrogen 3.011 N/A TRP 182.A NE1 GLU 208.A OE2 no hydrogen 2.895 N/A MET 183.A N VAL 180.A O no hydrogen 3.154 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.935 N/A SER 187.A OG LYS 192.A O no hydrogen 2.766 N/A LEU 188.A N ALA 184.A O no hydrogen 3.020 N/A GLN 189.A N LEU 185.A O no hydrogen 3.231 N/A GLN 189.A NE2 LEU 185.A O no hydrogen 3.142 N/A THR 190.A N GLU 186.A O no hydrogen 2.814 N/A THR 190.A OG1 GLU 186.A O no hydrogen 2.721 N/A GLN 191.A N SER 187.A O no hydrogen 2.940 N/A GLN 191.A NE2 SER 187.A O no hydrogen 3.368 N/A LYS 192.A N THR 190.A OG1 no hydrogen 3.271 N/A THR 194.A N SER 197.A OG no hydrogen 2.798 N/A LYS 196.A NZ ARG 260.A O no hydrogen 2.832 N/A SER 197.A N THR 194.A O no hydrogen 3.078 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.228 N/A SER 197.A OG THR 194.A O no hydrogen 2.838 N/A ASP 198.A N THR 194.A O no hydrogen 3.002 N/A VAL 199.A N THR 195.A O no hydrogen 2.942 N/A TRP 200.A N LYS 196.A O no hydrogen 3.310 N/A SER 201.A N SER 197.A O no hydrogen 3.182 N/A SER 201.A OG TRP 182.A O no hydrogen 2.563 N/A SER 201.A OG SER 197.A O no hydrogen 3.371 N/A PHE 202.A N ASP 198.A O no hydrogen 2.820 N/A GLY 203.A N VAL 199.A O no hydrogen 3.033 N/A VAL 204.A N TRP 200.A O no hydrogen 3.210 N/A LEU 205.A N SER 201.A O no hydrogen 2.839 N/A LEU 206.A N PHE 202.A O no hydrogen 2.827 N/A TRP 207.A N GLY 203.A O no hydrogen 3.109 N/A TRP 207.A NE1 LEU 236.A O no hydrogen 2.665 N/A GLU 208.A N VAL 204.A O no hydrogen 2.885 N/A LEU 209.A N LEU 205.A O no hydrogen 2.855 N/A MET 210.A N LEU 206.A O no hydrogen 3.031 N/A THR 211.A N TRP 207.A O no hydrogen 3.118 N/A THR 211.A OG1 TRP 207.A O no hydrogen 3.024 N/A THR 211.A OG1 GLU 208.A O no hydrogen 3.180 N/A ARG 212.A N LEU 209.A O no hydrogen 3.046 N/A ARG 212.A NE ILE 115.A O no hydrogen 3.006 N/A ARG 212.A NH1 VAL 283.A O no hydrogen 3.116 N/A ARG 212.A NH2 ILE 115.A O no hydrogen 3.447 N/A ARG 212.A NH2 HIS 120.A O no hydrogen 2.948 N/A GLY 213.A N GLU 208.A O no hydrogen 2.732 N/A ALA 214.A N THR 211.A OG1 no hydrogen 3.186 N/A ASP 219.A N ASP 219.A OD2 no hydrogen 2.535 N/A VAL 220.A N TYR 217.A O no hydrogen 2.981 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 3.224 N/A ASP 224.A N ASN 221.A O no hydrogen 2.634 N/A ILE 225.A N THR 222.A O no hydrogen 3.481 N/A TYR 228.A N ASP 224.A O no hydrogen 3.101 N/A LEU 229.A N ILE 225.A O no hydrogen 2.915 N/A LEU 230.A N THR 226.A O no hydrogen 2.914 N/A GLN 231.A N VAL 227.A O no hydrogen 3.100 N/A GLN 231.A N TYR 228.A O no hydrogen 3.230 N/A GLY 232.A N LEU 229.A O no hydrogen 2.895 N/A ARG 233.A N LEU 229.A O no hydrogen 3.228 N/A ARG 233.A NE GLN 231.A OE1 no hydrogen 2.896 N/A ARG 233.A NH2 GLN 231.A OE1 no hydrogen 3.240 N/A ARG 234.A NE TRP 253.A O no hydrogen 3.370 N/A ARG 234.A NH1 ARG 233.A O no hydrogen 2.921 N/A ARG 234.A NH2 TRP 253.A O no hydrogen 2.876 N/A GLN 237.A NE2 CYS 241.A O no hydrogen 2.778 N/A GLN 237.A NE2 ASP 243.A OD2 no hydrogen 2.997 N/A CYS 241.A N PRO 238.A O no hydrogen 3.024 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.422 N/A LEU 245.A N PRO 242.A O no hydrogen 3.011 N/A TYR 246.A N PRO 242.A O no hydrogen 3.046 N/A TYR 246.A OH LEU 235.A O no hydrogen 2.575 N/A GLU 247.A N ASP 243.A O no hydrogen 2.853 N/A VAL 248.A N PRO 244.A O no hydrogen 3.078 N/A MET 249.A N LEU 245.A O no hydrogen 3.008 N/A LEU 250.A N TYR 246.A O no hydrogen 2.949 N/A LYS 251.A N GLU 247.A O no hydrogen 3.080 N/A CYS 252.A N VAL 248.A O no hydrogen 2.937 N/A CYS 252.A SG VAL 248.A O no hydrogen 3.356 N/A TRP 253.A N MET 249.A O no hydrogen 3.103 N/A TRP 253.A N LEU 250.A O no hydrogen 3.280 N/A HIS 254.A N LYS 251.A O no hydrogen 3.182 N/A LYS 256.A N HIS 254.A ND1 no hydrogen 2.919 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.798 N/A MET 259.A N LYS 256.A O no hydrogen 2.942 N/A ARG 260.A N ALA 257.A O no hydrogen 3.191 N/A ARG 260.A NE HIS 254.A O no hydrogen 2.975 N/A ARG 260.A NH1 GLU 186.A OE1 no hydrogen 3.561 N/A ARG 260.A NH1 GLU 186.A OE2 no hydrogen 2.750 N/A ARG 260.A NH1 LYS 196.A O no hydrogen 2.889 N/A ARG 260.A NH2 GLU 186.A OE1 no hydrogen 2.699 N/A ARG 260.A NH2 GLU 186.A OE2 no hydrogen 3.499 N/A ARG 260.A NH2 HIS 254.A O no hydrogen 3.156 N/A GLU 265.A N SER 262.A OG no hydrogen 2.998 N/A LEU 266.A N SER 262.A O no hydrogen 2.925 N/A VAL 267.A N PHE 263.A O no hydrogen 2.862 N/A SER 268.A N SER 264.A O no hydrogen 3.169 N/A ARG 269.A N GLU 265.A O no hydrogen 2.883 N/A ARG 269.A NE GLU 265.A OE1 no hydrogen 2.771 N/A ARG 269.A NH2 GLU 265.A OE1 no hydrogen 3.548 N/A ILE 270.A N LEU 266.A O no hydrogen 2.875 N/A SER 271.A N VAL 267.A O no hydrogen 2.909 N/A SER 271.A OG.B VAL 267.A O no hydrogen 3.324 N/A SER 271.A OG.B SER 268.A O no hydrogen 2.801 N/A SER 271.A OG.C VAL 267.A O no hydrogen 2.658 N/A ALA 272.A N SER 268.A O no hydrogen 3.225 N/A ILE 273.A N ARG 269.A O no hydrogen 3.146 N/A PHE 274.A N ILE 270.A O no hydrogen 2.846 N/A SER 275.A N SER 271.A O no hydrogen 3.057 N/A SER 275.A OG ALA 272.A O no hydrogen 2.606 N/A THR 276.A N ILE 273.A O no hydrogen 3.063 N/A THR 276.A OG1 ILE 273.A O no hydrogen 2.868 N/A PHE 277.A N PHE 274.A O no hydrogen 3.184 N/A VAL 283.A N PRO 122.A O no hydrogen 3.057 N/A THR 288.A N ASN 286.A OD1 no hydrogen 2.936 N/A THR 288.A OG1 ASN 286.A OD1 no hydrogen 2.844 N/A TYR 289.A N ASN 286.A O no hydrogen 2.954 N/A VAL 292.A N TYR 289.A O no hydrogen 3.144 N/A