Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 103.A OD1 no hydrogen 2.803 N/A THR 3.A OG1 ASP 103.A OD1 no hydrogen 3.302 N/A THR 3.A OG1 ASP 103.A OD2 no hydrogen 3.352 N/A ARG 4.A NH1 ALA 47.A O no hydrogen 2.742 N/A ARG 4.A NH1 GLU 124.A OE1 no hydrogen 3.173 N/A ARG 4.A NH2 GLU 124.A OE2 no hydrogen 3.106 N/A LYS 5.A NZ PHE 99.A O no hydrogen 2.697 N/A LYS 5.A NZ ILE 100.A O no hydrogen 3.080 N/A LYS 5.A NZ ASP 103.A OD2 no hydrogen 2.978 N/A GLY 6.A N ASP 51.A O no hydrogen 3.072 N/A ILE 7.A N ALA 106.A O no hydrogen 2.838 N/A ILE 8.A N LEU 53.A O no hydrogen 2.713 N/A LEU 9.A N VAL 108.A O no hydrogen 3.193 N/A ALA 10.A N ILE 55.A O no hydrogen 2.794 N/A LEU 17.A N GLY 14.A O no hydrogen 2.724 N/A TYR 18.A N THR 15.A O no hydrogen 3.335 N/A VAL 20.A N LEU 17.A O no hydrogen 2.875 N/A THR 21.A OG1 GLY 14.A O no hydrogen 2.679 N/A MET 22.A N PRO 19.A O no hydrogen 3.264 N/A LYS 26.A NZ ASP 111.A OD2 no hydrogen 2.600 N/A GLN 27.A N SER 25.A OG no hydrogen 3.216 N/A GLN 27.A NE2 GLY 11.A O no hydrogen 2.990 N/A LEU 28.A N SER 25.A O no hydrogen 2.989 N/A LEU 29.A N LYS 26.A O no hydrogen 3.171 N/A ILE 31.A N LYS 34.A O no hydrogen 2.903 N/A TYR 32.A N SER 237.A OG no hydrogen 2.983 N/A LYS 34.A N ILE 31.A O no hydrogen 3.509 N/A LYS 34.A NZ ASP 33.A OD1 no hydrogen 2.588 N/A LYS 34.A NZ TYR 39.A OH no hydrogen 3.338 N/A LYS 34.A NZ GLU 244.A OE2 no hydrogen 2.799 N/A MET 36.A N LEU 29.A O no hydrogen 2.690 N/A ILE 37.A N GLN 27.A O no hydrogen 2.909 N/A TYR 38.A N PRO 35.A O no hydrogen 2.962 N/A TYR 39.A N MET 36.A O no hydrogen 2.944 N/A TYR 39.A OH ILE 31.A O no hydrogen 2.712 N/A LEU 41.A N ILE 37.A O no hydrogen 3.139 N/A SER 42.A N TYR 38.A O no hydrogen 2.929 N/A SER 42.A OG TYR 38.A O no hydrogen 2.783 N/A THR 43.A N TYR 39.A O no hydrogen 3.035 N/A THR 43.A OG1 TYR 39.A O no hydrogen 3.126 N/A LEU 44.A N PRO 40.A O no hydrogen 3.167 N/A MET 45.A N LEU 41.A O no hydrogen 3.047 N/A LEU 46.A N SER 42.A O no hydrogen 2.876 N/A ALA 47.A N LEU 44.A O no hydrogen 3.106 N/A GLY 48.A N MET 45.A O no hydrogen 2.733 N/A ILE 49.A N LEU 44.A O no hydrogen 3.089 N/A ILE 52.A N ASN 77.A O no hydrogen 3.066 N/A LEU 53.A N GLY 6.A O no hydrogen 2.968 N/A ILE 54.A N GLN 79.A O no hydrogen 2.852 N/A ILE 55.A N ILE 8.A O no hydrogen 2.950 N/A SER 56.A N LYS 81.A O no hydrogen 3.074 N/A SER 56.A OG ALA 10.A O no hydrogen 2.850 N/A THR 57.A N SER 56.A OG no hydrogen 2.659 N/A GLN 59.A N GLN 59.A OE1 no hydrogen 2.717 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.310 N/A THR 61.A N THR 57.A O no hydrogen 2.995 N/A THR 61.A OG1 THR 57.A O no hydrogen 2.724 N/A PHE 64.A N ASP 60.A O no hydrogen 3.139 N/A GLN 65.A N THR 61.A O no hydrogen 3.061 N/A GLN 66.A N PRO 62.A O no hydrogen 2.836 N/A LEU 67.A N ARG 63.A O no hydrogen 2.904 N/A LEU 68.A N PHE 64.A O no hydrogen 2.831 N/A GLY 69.A N GLN 65.A O no hydrogen 2.725 N/A GLY 71.A N LEU 68.A O no hydrogen 3.110 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.834 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.531 N/A GLN 73.A N GLN 73.A OE1 no hydrogen 2.700 N/A GLN 73.A NE2 LEU 68.A O no hydrogen 2.829 N/A TRP 74.A N GLY 71.A O no hydrogen 2.934 N/A GLY 75.A N SER 72.A O no hydrogen 3.228 N/A LEU 76.A N GLY 71.A O no hydrogen 2.925 N/A ASN 77.A N ARG 50.A O no hydrogen 2.814 N/A LEU 78.A N ASP 70.A O no hydrogen 2.794 N/A GLN 79.A N ILE 52.A O no hydrogen 2.992 N/A GLN 79.A NE2 ASN 77.A OD1 no hydrogen 3.664 N/A TYR 80.A OH GLY 69.A O no hydrogen 2.732 N/A LYS 81.A N ILE 54.A O no hydrogen 3.084 N/A SER 83.A N SER 56.A O no hydrogen 2.845 N/A SER 83.A OG SER 85.A O no hydrogen 2.992 N/A SER 85.A OG ASP 87.A O no hydrogen 2.612 N/A ASP 87.A N SER 85.A OG no hydrogen 3.197 N/A GLY 88.A N GLU 197.A OE1 no hydrogen 2.953 N/A ALA 90.A N LEU 198.A O no hydrogen 3.037 N/A GLN 91.A N GLY 88.A O no hydrogen 3.011 N/A ALA 92.A N LEU 89.A O no hydrogen 2.934 N/A PHE 93.A N ALA 90.A O no hydrogen 3.120 N/A ILE 94.A N GLN 91.A O no hydrogen 3.132 N/A ILE 95.A N GLN 91.A O no hydrogen 2.887 N/A GLY 96.A N ALA 92.A O no hydrogen 2.942 N/A GLU 97.A N ILE 94.A O no hydrogen 3.237 N/A ILE 100.A N GLY 96.A O no hydrogen 2.870 N/A GLY 101.A N GLU 97.A O no hydrogen 3.091 N/A ASP 103.A N ILE 100.A O no hydrogen 3.050 N/A CYS 105.A N TYR 179.A O no hydrogen 3.152 N/A CYS 105.A SG ALA 106.A O no hydrogen 3.558 N/A ALA 106.A N LYS 5.A O no hydrogen 2.916 N/A LEU 107.A N TYR 177.A O no hydrogen 2.905 N/A VAL 108.A N ILE 7.A O no hydrogen 3.083 N/A LEU 109.A N GLY 175.A O no hydrogen 2.914 N/A GLY 110.A N LEU 9.A O no hydrogen 2.635 N/A ASN 112.A N LEU 109.A O no hydrogen 3.253 N/A ASN 112.A ND2 ASP 111.A OD1 no hydrogen 2.873 N/A ILE 113.A N LEU 225.A O no hydrogen 2.983 N/A TYR 115.A N ALA 223.A O no hydrogen 3.010 N/A LEU 119.A N GLY 116.A O no hydrogen 3.024 N/A LYS 121.A NZ ASP 118.A OD1 no hydrogen 2.991 N/A LEU 122.A N ASP 118.A O no hydrogen 3.313 N/A MET 123.A N LEU 119.A O no hydrogen 3.007 N/A GLU 124.A N PRO 120.A O no hydrogen 2.775 N/A ALA 125.A N LYS 121.A O no hydrogen 3.113 N/A ALA 126.A N LEU 122.A O no hydrogen 3.234 N/A VAL 127.A N MET 123.A O no hydrogen 2.999 N/A ASN 128.A N GLU 124.A O no hydrogen 3.017 N/A LYS 129.A N ALA 125.A O no hydrogen 3.018 N/A LYS 129.A NZ ALA 133.A O no hydrogen 3.276 N/A LYS 129.A NZ ARG 212.A O no hydrogen 3.063 N/A LYS 129.A NZ SER 214.A OG no hydrogen 2.569 N/A GLY 132.A N ASP 180.A OD2 no hydrogen 3.145 N/A ALA 133.A N ARG 212.A O no hydrogen 2.845 N/A THR 134.A N PHE 178.A O no hydrogen 2.859 N/A VAL 135.A N SER 214.A O no hydrogen 2.950 N/A ALA 137.A N ALA 216.A O no hydrogen 2.827 N/A TYR 138.A N ALA 172.A O no hydrogen 2.891 N/A TYR 138.A OH TYR 222.A O no hydrogen 2.862 N/A VAL 140.A N ASN 170.A O no hydrogen 2.976 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 3.106 N/A ARG 145.A N ASP 142.A O no hydrogen 2.871 N/A TYR 146.A N PRO 143.A O no hydrogen 3.100 N/A VAL 148.A N GLU 161.A O no hydrogen 2.692 N/A VAL 149.A N TYR 171.A O no hydrogen 3.059 N/A GLU 150.A N SER 159.A O no hydrogen 3.113 N/A ASP 152.A N THR 156.A O no hydrogen 2.739 N/A LYS 154.A N ASP 152.A OD1 no hydrogen 2.776 N/A ALA 157.A N LEU 213.A O no hydrogen 2.987 N/A VAL 158.A N GLU 150.A O no hydrogen 2.785 N/A SER 159.A N GLU 150.A O no hydrogen 3.320 N/A SER 159.A OG GLU 150.A OE1 no hydrogen 2.883 N/A GLU 161.A N VAL 148.A O no hydrogen 2.850 N/A LYS 163.A N TYR 146.A O no hydrogen 2.879 N/A LYS 168.A NZ GLU 161.A OE2 no hydrogen 2.820 N/A SER 169.A OG VAL 149.A O no hydrogen 3.023 N/A TYR 171.A N SER 169.A OG no hydrogen 2.855 N/A ALA 172.A N TYR 138.A O no hydrogen 3.012 N/A VAL 173.A N GLY 147.A O no hydrogen 2.775 N/A THR 174.A N PHE 136.A O no hydrogen 2.747 N/A THR 174.A OG1 PHE 136.A O no hydrogen 2.676 N/A GLY 175.A N ASN 112.A OD1 no hydrogen 2.954 N/A TYR 177.A N LEU 107.A O no hydrogen 2.849 N/A PHE 178.A N THR 134.A O no hydrogen 2.941 N/A TYR 179.A N CYS 105.A O no hydrogen 2.762 N/A TYR 179.A OH ASN 204.A OD1 no hydrogen 2.713 N/A ASP 180.A N GLY 132.A O no hydrogen 3.113 N/A ASN 181.A N ASP 104.A OD1 no hydrogen 3.125 N/A SER 182.A N ASP 180.A OD1 no hydrogen 3.211 N/A SER 182.A OG ASP 180.A OD1 no hydrogen 2.580 N/A SER 182.A OG ASP 180.A OD2 no hydrogen 3.519 N/A SER 182.A OG TYR 207.A OH no hydrogen 3.199 N/A VAL 183.A N ASP 180.A O no hydrogen 3.206 N/A VAL 184.A N ASN 181.A O no hydrogen 3.337 N/A MET 186.A N SER 182.A O no hydrogen 3.154 N/A ALA 187.A N VAL 183.A O no hydrogen 2.910 N/A LYS 188.A N VAL 184.A O no hydrogen 3.020 N/A LYS 188.A NZ GLU 97.A OE2 no hydrogen 3.350 N/A LYS 188.A NZ GLU 185.A OE1 no hydrogen 3.335 N/A ASN 189.A N GLU 185.A O no hydrogen 3.080 N/A ASN 189.A ND2 GLU 185.A OE2 no hydrogen 3.005 N/A LEU 190.A N ALA 187.A O no hydrogen 3.222 N/A SER 193.A N GLU 197.A O no hydrogen 3.191 N/A SER 193.A OG GLU 197.A O no hydrogen 3.197 N/A GLY 196.A N SER 193.A O no hydrogen 3.507 N/A GLU 199.A N ASP 202.A OD2 no hydrogen 3.309 N/A THR 201.A OG1 GLU 162.A OE2 no hydrogen 3.138 N/A ILE 203.A N GLU 199.A O no hydrogen 3.390 N/A ASN 204.A N ILE 200.A O no hydrogen 3.031 N/A ARG 205.A N THR 201.A O no hydrogen 2.967 N/A ARG 205.A NH2 LEU 160.A O no hydrogen 2.752 N/A ILE 206.A N ASP 202.A O no hydrogen 3.087 N/A TYR 207.A N ILE 203.A O no hydrogen 3.364 N/A TYR 207.A OH ASP 180.A OD1 no hydrogen 2.844 N/A TYR 207.A OH SER 182.A OG no hydrogen 3.199 N/A MET 208.A N ASN 204.A O no hydrogen 3.076 N/A GLU 209.A N ARG 205.A O no hydrogen 2.837 N/A GLN 210.A N ILE 206.A O no hydrogen 3.078 N/A GLN 210.A N TYR 207.A O no hydrogen 3.202 N/A GLY 211.A N MET 208.A O no hydrogen 2.730 N/A ARG 212.A N TYR 207.A O no hydrogen 2.812 N/A ARG 212.A NH2 ASP 180.A OD2 no hydrogen 2.869 N/A ARG 212.A NH2 SER 182.A OG no hydrogen 3.028 N/A SER 214.A N ALA 133.A O no hydrogen 2.738 N/A ALA 216.A N VAL 135.A O no hydrogen 2.831 N/A MET 218.A N ALA 137.A O no hydrogen 2.820 N/A TYR 222.A N GLY 219.A O no hydrogen 3.097 N/A ALA 223.A N TYR 115.A O no hydrogen 2.864 N/A TRP 224.A NE1 ASN 112.A OD1 no hydrogen 2.703 N/A LEU 225.A N ILE 113.A O no hydrogen 3.100 N/A THR 227.A N ASP 111.A O no hydrogen 3.058 N/A GLY 228.A N SER 232.A OG no hydrogen 3.334 N/A THR 229.A N SER 232.A OG no hydrogen 3.258 N/A THR 229.A OG1 SER 232.A OG no hydrogen 2.970 N/A HIS 230.A NE2 TYR 18.A O no hydrogen 3.065 N/A SER 232.A N THR 229.A OG1 no hydrogen 3.206 N/A SER 232.A OG ASP 226.A O no hydrogen 3.303 N/A SER 232.A OG THR 229.A O no hydrogen 3.281 N/A SER 232.A OG THR 229.A OG1 no hydrogen 2.970 N/A LEU 233.A N THR 229.A O no hydrogen 2.927 N/A ILE 234.A N HIS 230.A O no hydrogen 3.218 N/A GLU 235.A N GLN 231.A O no hydrogen 2.951 N/A ALA 236.A N SER 232.A O no hydrogen 2.887 N/A SER 237.A N LEU 233.A O no hydrogen 2.942 N/A SER 237.A OG LEU 233.A O no hydrogen 3.404 N/A ASN 238.A N ILE 234.A O no hydrogen 3.086 N/A PHE 239.A N GLU 235.A O no hydrogen 2.900 N/A ILE 240.A N ALA 236.A O no hydrogen 2.914 N/A ALA 241.A N SER 237.A O no hydrogen 2.869 N/A THR 242.A N ASN 238.A O no hydrogen 2.957 N/A THR 242.A OG1 ASN 238.A O no hydrogen 2.961 N/A ILE 243.A N PHE 239.A O no hydrogen 3.015 N/A GLU 244.A N ILE 240.A O no hydrogen 2.980 N/A GLU 245.A N ALA 241.A O no hydrogen 2.929 N/A ARG 246.A N THR 242.A O no hydrogen 2.869 N/A ARG 246.A NH1 GLU 245.A OE2 no hydrogen 3.446 N/A GLN 247.A N ILE 243.A O no hydrogen 2.962 N/A GLY 248.A N GLU 244.A O no hydrogen 3.005 N/A LYS 250.A N TYR 284.A OH no hydrogen 3.279 N/A LYS 250.A NZ ASP 33.A OD2 no hydrogen 2.600 N/A LYS 250.A NZ GLU 244.A OE1 no hydrogen 2.893 N/A LYS 250.A NZ GLU 244.A OE2 no hydrogen 3.477 N/A VAL 251.A N GLU 244.A OE2 no hydrogen 2.882 N/A CYS 253.A SG GLU 255.A OE1 no hydrogen 3.530 N/A CYS 253.A SG TYR 281.A OH no hydrogen 3.511 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.844 N/A ILE 257.A N CYS 253.A O no hydrogen 2.973 N/A ALA 258.A N PRO 254.A O no hydrogen 2.872 N/A PHE 259.A N GLU 255.A O no hydrogen 3.031 N/A ARG 260.A N GLU 256.A O no hydrogen 2.877 N/A ARG 260.A NH1 GLU 256.A OE2 no hydrogen 2.968 N/A LYS 261.A N ILE 257.A O no hydrogen 2.963 N/A ASN 262.A N PHE 259.A O no hydrogen 3.117 N/A PHE 263.A N ALA 258.A O no hydrogen 2.695 N/A ILE 264.A N ALA 258.A O no hydrogen 3.245 N/A ASN 265.A N GLN 268.A OE1 no hydrogen 2.989 N/A GLN 268.A N ASN 265.A OD1 no hydrogen 2.829 N/A VAL 269.A N ASN 265.A O no hydrogen 3.149 N/A ILE 270.A N ALA 266.A O no hydrogen 3.089 N/A GLU 271.A N GLN 267.A O no hydrogen 2.972 N/A LEU 272.A N GLN 268.A O no hydrogen 3.087 N/A ALA 273.A N VAL 269.A O no hydrogen 2.738 N/A GLY 274.A N GLU 271.A O no hydrogen 3.319 N/A LEU 276.A N ALA 273.A O no hydrogen 3.183 N/A SER 277.A N GLY 274.A O no hydrogen 3.143 N/A SER 277.A OG GLY 274.A O no hydrogen 3.143 N/A ASN 279.A N LEU 276.A O no hydrogen 3.335 N/A TYR 281.A N ASN 279.A OD1 no hydrogen 2.759 N/A TYR 281.A OH GLU 255.A OE1 no hydrogen 2.608 N/A GLY 282.A N ASN 279.A OD1 no hydrogen 3.456 N/A LYS 283.A N ASN 279.A O no hydrogen 3.444 N/A LYS 283.A NZ SER 277.A O no hydrogen 3.456 N/A TYR 284.A N ASP 280.A O no hydrogen 2.877 N/A TYR 284.A OH GLU 256.A OE1 no hydrogen 3.416 N/A TYR 284.A OH GLU 256.A OE2 no hydrogen 2.826 N/A LEU 285.A N TYR 281.A O no hydrogen 3.182 N/A LEU 286.A N GLY 282.A O no hydrogen 3.225 N/A LYS 287.A N LYS 283.A O no hydrogen 3.083 N/A MET 288.A N TYR 284.A O no hydrogen 2.852 N/A VAL 289.A N LEU 285.A O no hydrogen 3.235 N/A LYS 290.A N LYS 287.A O no hydrogen 3.212 N/A LYS 290.A NZ LEU 286.A O no hydrogen 3.323 N/A