Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1m52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD1 no hydrogen 2.876 N/A GLU 5.A N ASP 2.A O no hydrogen 3.040 N/A MET 6.A N VAL 73.A O no hydrogen 2.890 N/A ARG 8.A NE PRO 79.A O no hydrogen 3.068 N/A ARG 8.A NH1 GLU 77.A OE2 no hydrogen 3.564 N/A ARG 8.A NH2 GLU 77.A OE2 no hydrogen 2.816 N/A ARG 8.A NH2 PRO 79.A O no hydrogen 3.196 N/A THR 9.A N GLU 7.A OE2 no hydrogen 3.352 N/A THR 9.A OG1 GLU 7.A OE2 no hydrogen 2.868 N/A ASP 10.A N GLU 7.A O no hydrogen 3.045 N/A THR 12.A N VAL 29.A O no hydrogen 2.825 N/A LYS 14.A N GLU 27.A O no hydrogen 2.912 N/A HIS 15.A ND1 LYS 16.A O no hydrogen 2.738 N/A HIS 15.A NE2 GLU 27.A OE2 no hydrogen 2.932 N/A LYS 16.A NZ GLU 24.A OE2 no hydrogen 3.382 N/A LEU 17.A N VAL 25.A O no hydrogen 2.790 N/A GLY 20.A N LEU 17.A O no hydrogen 3.225 N/A GLN 21.A N GLY 18.A O no hydrogen 2.990 N/A GLN 21.A NE2 GLY 18.A O no hydrogen 3.582 N/A TYR 22.A OH ARG 136.A O no hydrogen 2.525 N/A GLY 23.A N GLY 20.A O no hydrogen 2.741 N/A VAL 25.A N GLY 23.A O no hydrogen 2.996 N/A TYR 26.A N VAL 39.A O no hydrogen 2.845 N/A TYR 26.A OH GLU 24.A OE1 no hydrogen 2.618 N/A GLU 27.A N HIS 15.A O no hydrogen 2.855 N/A GLY 28.A N VAL 37.A O no hydrogen 2.786 N/A VAL 29.A N THR 12.A O no hydrogen 2.916 N/A TRP 30.A N LEU 35.A O no hydrogen 2.804 N/A LYS 31.A NZ THR 9.A O no hydrogen 2.629 N/A LYS 32.A NZ TYR 33.A OH no hydrogen 3.460 N/A SER 34.A N LYS 31.A O no hydrogen 2.909 N/A VAL 37.A N GLY 28.A O no hydrogen 2.856 N/A ALA 38.A N THR 84.A O no hydrogen 2.905 N/A VAL 39.A N TYR 26.A O no hydrogen 2.752 N/A LYS 40.A N ILE 82.A O no hydrogen 2.906 N/A LYS 40.A NZ GLU 55.A OE1 no hydrogen 2.751 N/A LYS 40.A NZ GLU 55.A OE2 no hydrogen 2.707 N/A THR 41.A N GLU 24.A O no hydrogen 2.542 N/A LEU 42.A N PHE 80.A O no hydrogen 3.411 N/A PHE 52.A N GLU 48.A O no hydrogen 2.666 N/A LEU 53.A N VAL 49.A O no hydrogen 3.022 N/A LYS 54.A N GLU 50.A O no hydrogen 3.167 N/A GLU 55.A N GLU 51.A O no hydrogen 2.912 N/A ALA 56.A N PHE 52.A O no hydrogen 3.196 N/A ALA 57.A N LEU 53.A O no hydrogen 2.947 N/A VAL 58.A N LYS 54.A O no hydrogen 2.816 N/A MET 59.A N GLU 55.A O no hydrogen 2.932 N/A LYS 60.A N ALA 57.A O no hydrogen 3.130 N/A LYS 60.A NZ ASP 2.A OD2 no hydrogen 2.787 N/A GLU 61.A N VAL 58.A O no hydrogen 2.906 N/A LYS 63.A N TYR 122.A OH no hydrogen 2.925 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.780 N/A ASN 66.A ND2 GLN 115.A OE1 no hydrogen 3.117 N/A ASN 66.A ND2 VAL 146.A O no hydrogen 2.961 N/A LEU 67.A N HIS 64.A O no hydrogen 3.061 N/A VAL 68.A N VAL 148.A O no hydrogen 3.298 N/A GLN 69.A N GLU 85.A OE1 no hydrogen 2.896 N/A GLN 69.A NE2 LEU 70.A O no hydrogen 2.969 N/A LEU 71.A N ILE 83.A O no hydrogen 2.544 N/A GLY 72.A N ILE 83.A O no hydrogen 3.063 N/A VAL 73.A N TRP 4.A O no hydrogen 3.271 N/A CYS 74.A N TYR 81.A O no hydrogen 2.921 N/A CYS 74.A SG MET 6.A O no hydrogen 3.894 N/A THR 75.A N GLU 5.A OE1 no hydrogen 3.230 N/A THR 75.A OG1 GLU 5.A OE2 no hydrogen 2.335 N/A TYR 81.A N CYS 74.A O no hydrogen 2.805 N/A ILE 82.A N LYS 40.A O no hydrogen 3.104 N/A ILE 83.A N GLY 72.A O no hydrogen 2.603 N/A THR 84.A N ALA 38.A O no hydrogen 2.924 N/A THR 84.A OG1 GLU 85.A O no hydrogen 3.277 N/A GLU 85.A N GLN 69.A O no hydrogen 3.000 N/A THR 88.A OG1 GLU 142.A OE1 no hydrogen 3.237 N/A THR 88.A OG1 GLU 142.A OE2 no hydrogen 2.856 N/A TYR 89.A N VAL 140.A O no hydrogen 2.824 N/A ASN 91.A ND2 TYR 22.A OH no hydrogen 2.949 N/A LEU 92.A N CYS 138.A O no hydrogen 2.582 N/A ASP 94.A N ASN 91.A OD1 no hydrogen 2.741 N/A TYR 95.A N ASN 91.A O no hydrogen 3.178 N/A TYR 95.A OH HIS 144.A ND1 no hydrogen 2.965 N/A LEU 96.A N LEU 92.A O no hydrogen 3.081 N/A ARG 97.A N LEU 93.A O no hydrogen 3.165 N/A ARG 97.A NE GLY 205.A O no hydrogen 2.686 N/A ARG 97.A NH2 GLY 205.A O no hydrogen 2.879 N/A GLU 98.A N ASP 94.A O no hydrogen 3.033 N/A CYS 99.A N TYR 95.A O no hydrogen 2.852 N/A CYS 99.A SG LEU 96.A O no hydrogen 3.327 N/A GLN 102.A N ASN 100.A OD1 no hydrogen 2.581 N/A GLU 103.A N ASN 100.A O no hydrogen 3.142 N/A VAL 104.A N ASN 100.A O no hydrogen 2.812 N/A LEU 109.A N SER 105.A O no hydrogen 2.764 N/A LEU 110.A N ALA 106.A O no hydrogen 2.981 N/A TYR 111.A N VAL 107.A O no hydrogen 2.854 N/A MET 112.A N VAL 108.A O no hydrogen 2.862 N/A ALA 113.A N LEU 109.A O no hydrogen 2.988 N/A THR 114.A N LEU 110.A O no hydrogen 3.040 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.942 N/A GLN 115.A N TYR 111.A O no hydrogen 3.162 N/A GLN 115.A NE2 TYR 111.A O no hydrogen 3.534 N/A GLN 115.A NE2 HIS 144.A O no hydrogen 2.823 N/A ILE 116.A N MET 112.A O no hydrogen 3.131 N/A SER 117.A N ALA 113.A O no hydrogen 2.982 N/A SER 117.A OG ALA 113.A O no hydrogen 3.414 N/A SER 117.A OG THR 114.A O no hydrogen 2.796 N/A SER 118.A N THR 114.A O no hydrogen 2.817 N/A SER 118.A OG HIS 64.A NE2 no hydrogen 3.312 N/A ALA 119.A N GLN 115.A O no hydrogen 2.977 N/A MET 120.A N ILE 116.A O no hydrogen 3.013 N/A GLU 121.A N SER 117.A O no hydrogen 2.926 N/A TYR 122.A N SER 118.A O no hydrogen 3.208 N/A LEU 123.A N ALA 119.A O no hydrogen 2.964 N/A GLU 124.A N MET 120.A O no hydrogen 2.805 N/A LYS 125.A N GLU 121.A O no hydrogen 3.074 N/A LYS 126.A N TYR 122.A O no hydrogen 2.925 N/A ASN 127.A N GLU 124.A O no hydrogen 3.343 N/A PHE 128.A N LEU 123.A O no hydrogen 2.988 N/A ILE 129.A N SER 154.A O no hydrogen 2.951 N/A HIS 130.A N ASP 190.A OD2 no hydrogen 2.954 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.971 N/A ARG 131.A N GLY 152.A O no hydrogen 2.765 N/A ARG 131.A NH1 SER 154.A OG no hydrogen 2.849 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 2.995 N/A ALA 135.A N GLU 200.A OE2 no hydrogen 2.882 N/A ASN 137.A N ALA 134.A O no hydrogen 2.806 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.921 N/A CYS 138.A N ALA 135.A O no hydrogen 3.004 N/A CYS 138.A SG ALA 134.A O no hydrogen 3.745 N/A LEU 139.A N LYS 147.A O no hydrogen 2.753 N/A VAL 140.A N GLY 90.A O no hydrogen 2.691 N/A GLY 141.A N LEU 145.A O no hydrogen 2.828 N/A HIS 144.A ND1 TYR 95.A OH no hydrogen 2.965 N/A LEU 145.A N GLU 142.A O no hydrogen 3.397 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 2.862 N/A LYS 147.A N LEU 139.A O no hydrogen 2.887 N/A LYS 147.A NZ GLU 85.A OE1 no hydrogen 2.589 N/A LYS 147.A NZ GLU 85.A OE2 no hydrogen 2.945 N/A VAL 148.A N ASN 66.A O no hydrogen 2.889 N/A ALA 149.A N ASN 137.A O no hydrogen 3.058 N/A SER 154.A N ILE 129.A O no hydrogen 3.089 N/A LEU 156.A N ASN 127.A O no hydrogen 2.929 N/A GLY 159.A N THR 158.A OG1 no hydrogen 2.760 N/A THR 161.A OG1 ASP 160.A OD2 no hydrogen 3.104 N/A TYR 162.A N PHE 185.A O no hydrogen 2.745 N/A ALA 164.A N ASN 183.A O no hydrogen 3.092 N/A HIS 165.A N HIS 165.A ND1 no hydrogen 2.715 N/A LYS 173.A NZ PRO 208.A O no hydrogen 3.169 N/A LYS 173.A NZ TYR 209.A O no hydrogen 3.067 N/A LYS 173.A NZ ILE 212.A O no hydrogen 3.237 N/A TRP 174.A N PRO 171.A O no hydrogen 3.089 N/A TRP 174.A NE1 GLU 200.A OE2 no hydrogen 2.898 N/A THR 175.A N ILE 172.A O no hydrogen 3.133 N/A THR 175.A OG1 PRO 171.A O no hydrogen 2.611 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.547 N/A SER 179.A OG LYS 184.A O no hydrogen 2.891 N/A LEU 180.A N ALA 176.A O no hydrogen 3.078 N/A ALA 181.A N PRO 177.A O no hydrogen 2.812 N/A TYR 182.A N GLU 178.A O no hydrogen 2.683 N/A ASN 183.A N SER 179.A O no hydrogen 2.676 N/A PHE 185.A N TYR 162.A O no hydrogen 2.821 N/A SER 186.A N SER 189.A OG no hydrogen 2.684 N/A LYS 188.A N SER 186.A OG no hydrogen 2.957 N/A LYS 188.A NZ ARG 252.A O no hydrogen 2.672 N/A SER 189.A N SER 186.A O no hydrogen 2.915 N/A SER 189.A OG GLU 178.A OE2 no hydrogen 3.253 N/A SER 189.A OG SER 186.A O no hydrogen 3.309 N/A ASP 190.A N SER 186.A O no hydrogen 3.390 N/A VAL 191.A N ILE 187.A O no hydrogen 2.958 N/A TRP 192.A N LYS 188.A O no hydrogen 3.203 N/A ALA 193.A N SER 189.A O no hydrogen 3.100 N/A PHE 194.A N ASP 190.A O no hydrogen 2.697 N/A GLY 195.A N VAL 191.A O no hydrogen 2.944 N/A VAL 196.A N TRP 192.A O no hydrogen 3.136 N/A LEU 197.A N ALA 193.A O no hydrogen 2.785 N/A LEU 198.A N PHE 194.A O no hydrogen 2.770 N/A TRP 199.A N GLY 195.A O no hydrogen 3.217 N/A TRP 199.A NE1 GLU 228.A O no hydrogen 3.329 N/A GLU 200.A N VAL 196.A O no hydrogen 3.002 N/A ILE 201.A N LEU 197.A O no hydrogen 2.923 N/A ALA 202.A N LEU 198.A O no hydrogen 2.853 N/A THR 203.A N TRP 199.A O no hydrogen 3.118 N/A THR 203.A N GLU 200.A O no hydrogen 3.247 N/A THR 203.A OG1 TRP 199.A O no hydrogen 2.990 N/A THR 203.A OG1 GLU 200.A O no hydrogen 3.080 N/A TYR 204.A N ILE 201.A O no hydrogen 3.184 N/A TYR 204.A OH VAL 104.A O no hydrogen 2.643 N/A GLY 205.A N GLU 200.A O no hydrogen 2.798 N/A MET 206.A N THR 203.A OG1 no hydrogen 3.010 N/A ILE 212.A N TYR 209.A O no hydrogen 3.075 N/A SER 215.A OG ASP 213.A OD2 no hydrogen 2.425 N/A GLN 216.A N ASP 213.A O no hydrogen 2.946 N/A VAL 217.A N LEU 214.A O no hydrogen 3.067 N/A LEU 220.A N GLN 216.A O no hydrogen 2.985 N/A LEU 221.A N VAL 217.A O no hydrogen 3.015 N/A GLU 222.A N TYR 218.A O no hydrogen 3.041 N/A LYS 223.A N GLU 219.A O no hydrogen 2.939 N/A ASP 224.A N LEU 221.A O no hydrogen 3.051 N/A TYR 225.A N LEU 220.A O no hydrogen 2.815 N/A ARG 226.A NE TRP 245.A O no hydrogen 2.903 N/A ARG 226.A NH1 LEU 221.A O no hydrogen 3.083 N/A ARG 226.A NH1 TYR 225.A O no hydrogen 2.826 N/A ARG 226.A NH2 TRP 245.A O no hydrogen 3.000 N/A ARG 229.A NE CYS 233.A O no hydrogen 2.840 N/A CYS 233.A N PRO 230.A O no hydrogen 2.937 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.575 N/A TYR 238.A N PRO 234.A O no hydrogen 3.214 N/A TYR 238.A OH MET 227.A O no hydrogen 2.467 N/A GLU 239.A N GLU 235.A O no hydrogen 2.913 N/A LEU 240.A N VAL 237.A O no hydrogen 3.214 N/A MET 241.A N VAL 237.A O no hydrogen 2.902 N/A ARG 242.A N TYR 238.A O no hydrogen 2.737 N/A ARG 242.A NE TYR 238.A OH no hydrogen 3.041 N/A ALA 243.A N GLU 239.A O no hydrogen 3.181 N/A CYS 244.A N LEU 240.A O no hydrogen 3.039 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.189 N/A TRP 245.A N ARG 242.A O no hydrogen 3.143 N/A GLN 246.A N ALA 243.A O no hydrogen 3.288 N/A SER 250.A N ASN 248.A OD1 no hydrogen 2.916 N/A SER 250.A OG ASN 248.A OD1 no hydrogen 2.838 N/A ASP 251.A N ASN 248.A O no hydrogen 2.887 N/A ARG 252.A N PRO 249.A O no hydrogen 3.131 N/A ARG 252.A NE GLN 246.A O no hydrogen 2.700 N/A ARG 252.A NH1 GLU 178.A OE2 no hydrogen 2.776 N/A ARG 252.A NH1 LYS 188.A O no hydrogen 2.958 N/A ARG 252.A NH2 GLU 178.A OE1 no hydrogen 2.900 N/A ARG 252.A NH2 GLN 246.A O no hydrogen 3.215 N/A ARG 252.A NH2 TRP 247.A O no hydrogen 3.091 N/A SER 254.A N GLU 257.A OE1 no hydrogen 2.828 N/A PHE 255.A N GLU 124.A OE2 no hydrogen 2.741 N/A ALA 256.A N GLU 124.A OE1 no hydrogen 3.342 N/A GLU 257.A N SER 254.A OG no hydrogen 3.075 N/A ILE 258.A N SER 254.A O no hydrogen 2.974 N/A HIS 259.A N PHE 255.A O no hydrogen 2.656 N/A GLN 260.A N ALA 256.A O no hydrogen 2.925 N/A ALA 261.A N GLU 257.A O no hydrogen 2.856 N/A PHE 262.A N ILE 258.A O no hydrogen 2.995 N/A GLU 263.A N HIS 259.A O no hydrogen 2.792 N/A THR 264.A N GLN 260.A O no hydrogen 3.150 N/A THR 264.A OG1 GLN 260.A O no hydrogen 3.023 N/A MET 265.A N ALA 261.A O no hydrogen 2.935 N/A PHE 266.A N PHE 262.A O no hydrogen 2.672 N/A GLN 267.A N GLU 263.A O no hydrogen 3.003 N/A GLU 268.A N THR 264.A O no hydrogen 2.875 N/A SER 270.A N PHE 266.A O no hydrogen 3.069 N/A SER 270.A OG PHE 266.A O no hydrogen 3.066 N/A