Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3blr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG CYS 7.A O no hydrogen 3.603 N/A CYS 7.A SG ILE 78.A O no hydrogen 3.521 N/A VAL 10.A N ARG 80.A O no hydrogen 3.104 N/A LYS 12.A N GLU 9.A O no hydrogen 3.184 N/A LYS 12.A NZ ASP 8.A OD2 no hydrogen 3.509 N/A LYS 12.A NZ GLU 77.A OE2 no hydrogen 3.001 N/A TYR 13.A N VAL 10.A O no hydrogen 2.961 N/A TYR 13.A OH GLU 77.A OE2 no hydrogen 2.710 N/A GLU 14.A N ARG 31.A O no hydrogen 2.794 N/A LEU 16.A N LYS 29.A O no hydrogen 2.881 N/A LYS 18.A NZ GLU 26.A OE2 no hydrogen 2.857 N/A ILE 19.A N VAL 27.A O no hydrogen 2.901 N/A GLY 20.A N VAL 27.A O no hydrogen 3.349 N/A PHE 28.A N LEU 41.A O no hydrogen 2.932 N/A LYS 29.A N ALA 17.A O no hydrogen 2.844 N/A ALA 30.A N VAL 39.A O no hydrogen 2.893 N/A ARG 31.A N GLU 14.A O no hydrogen 2.979 N/A HIS 32.A N GLN 37.A O no hydrogen 2.866 N/A ARG 33.A N LYS 12.A O no hydrogen 2.959 N/A ARG 33.A NE SER 11.A O no hydrogen 2.781 N/A LYS 34.A N HIS 32.A ND1 no hydrogen 3.010 N/A GLY 36.A N HIS 32.A O no hydrogen 2.924 N/A GLN 37.A N THR 35.A OG1 no hydrogen 2.982 N/A VAL 39.A N ALA 30.A O no hydrogen 3.037 N/A ALA 40.A N PHE 87.A O no hydrogen 2.918 N/A LEU 41.A N PHE 28.A O no hydrogen 2.895 N/A LYS 42.A N LEU 85.A O no hydrogen 2.941 N/A LYS 42.A NZ GLU 60.A OE2 no hydrogen 3.000 N/A LYS 43.A NZ SER 82.A OG no hydrogen 2.968 N/A VAL 44.A N ILE 83.A O no hydrogen 2.853 N/A ALA 57.A N PRO 54.A O no hydrogen 2.936 N/A LEU 58.A N PRO 54.A O no hydrogen 3.142 N/A ARG 59.A N ILE 55.A O no hydrogen 3.132 N/A GLU 60.A N THR 56.A O no hydrogen 3.040 N/A ILE 61.A N ALA 57.A O no hydrogen 2.911 N/A LYS 62.A N LEU 58.A O no hydrogen 2.756 N/A ILE 63.A N ARG 59.A O no hydrogen 2.924 N/A LEU 64.A N GLU 60.A O no hydrogen 2.973 N/A GLN 65.A N ILE 61.A O no hydrogen 3.153 N/A LEU 66.A N ILE 63.A O no hydrogen 3.063 N/A LEU 67.A N ILE 63.A O no hydrogen 2.923 N/A LYS 68.A N TYR 123.A OH no hydrogen 2.955 N/A LYS 68.A NZ ASN 74.A OD1 no hydrogen 2.899 N/A LYS 68.A NZ LEU 75.A O no hydrogen 3.157 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 2.896 N/A ASN 71.A ND2 LEU 147.A O no hydrogen 2.992 N/A VAL 72.A N HIS 69.A O no hydrogen 3.163 N/A VAL 73.A N LEU 149.A O no hydrogen 2.834 N/A ASN 74.A ND2 ASP 88.A OD2 no hydrogen 2.685 N/A ILE 76.A N VAL 86.A O no hydrogen 2.691 N/A GLU 77.A N VAL 86.A O no hydrogen 3.473 N/A CYS 79.A N TYR 84.A O no hydrogen 2.758 N/A CYS 79.A SG ASP 8.A O no hydrogen 3.400 N/A ARG 80.A N ASP 8.A O no hydrogen 3.215 N/A ARG 80.A NE CYS 7.A O no hydrogen 3.038 N/A THR 81.A OG1 SER 82.A O no hydrogen 3.448 N/A TYR 84.A N CYS 79.A O no hydrogen 2.734 N/A LEU 85.A N LYS 42.A O no hydrogen 3.016 N/A VAL 86.A N GLU 77.A O no hydrogen 2.969 N/A PHE 87.A N ALA 40.A O no hydrogen 2.841 N/A ASP 88.A N ASN 74.A O no hydrogen 3.098 N/A PHE 89.A N LYS 38.A O no hydrogen 3.411 N/A CYS 90.A SG ASP 88.A O no hydrogen 3.887 N/A HIS 92.A N ILE 141.A O no hydrogen 2.937 N/A LEU 94.A N VAL 139.A O no hydrogen 2.786 N/A GLY 96.A N ASP 93.A OD1 no hydrogen 3.077 N/A LEU 97.A N ASP 93.A O no hydrogen 3.202 N/A LEU 98.A N LEU 94.A O no hydrogen 3.066 N/A SER 99.A OG ALA 95.A O no hydrogen 2.950 N/A ASN 100.A N GLY 96.A O no hydrogen 3.148 N/A LEU 102.A N ASN 100.A OD1 no hydrogen 3.155 N/A VAL 103.A N ASN 100.A O no hydrogen 3.152 N/A THR 106.A N GLU 109.A OE1 no hydrogen 3.469 N/A SER 108.A OG SER 296.A OG no hydrogen 2.578 N/A GLU 109.A N THR 106.A O no hydrogen 2.818 N/A ILE 110.A N THR 106.A O no hydrogen 2.926 N/A LYS 111.A N LEU 107.A O no hydrogen 2.966 N/A LYS 111.A NZ PHE 288.A O no hydrogen 2.983 N/A LYS 111.A NZ SER 291.A O no hydrogen 2.911 N/A LYS 111.A NZ PRO 293.A O no hydrogen 2.938 N/A VAL 113.A N GLU 109.A O no hydrogen 2.976 N/A MET 114.A N ILE 110.A O no hydrogen 3.094 N/A GLN 115.A N LYS 111.A O no hydrogen 2.959 N/A MET 116.A N ARG 112.A O no hydrogen 2.974 N/A LEU 117.A N VAL 113.A O no hydrogen 3.065 N/A LEU 118.A N MET 114.A O no hydrogen 2.911 N/A ASN 119.A N GLN 115.A O no hydrogen 2.920 N/A ASN 119.A ND2 ASN 71.A OD1 no hydrogen 3.657 N/A GLY 120.A N MET 116.A O no hydrogen 3.086 N/A GLY 120.A N LEU 117.A O no hydrogen 2.974 N/A LEU 121.A N LEU 117.A O no hydrogen 3.080 N/A TYR 122.A N LEU 118.A O no hydrogen 3.019 N/A TYR 123.A N ASN 119.A O no hydrogen 3.246 N/A ILE 124.A N GLY 120.A O no hydrogen 3.080 N/A HIS 125.A N LEU 121.A O no hydrogen 3.111 N/A HIS 125.A NE2 ASP 190.A OD2 no hydrogen 3.119 N/A ARG 126.A N TYR 122.A O no hydrogen 3.156 N/A ASN 127.A N TYR 123.A O no hydrogen 3.200 N/A ASN 127.A N ILE 124.A O no hydrogen 3.179 N/A ASN 127.A ND2 TYR 123.A O no hydrogen 2.830 N/A LYS 128.A N HIS 125.A O no hydrogen 3.090 N/A ILE 129.A N ILE 124.A O no hydrogen 2.967 N/A LEU 130.A N ARG 156.A O no hydrogen 2.838 N/A HIS 131.A N ASP 190.A OD2 no hydrogen 2.815 N/A HIS 131.A NE2 ALA 150.A O no hydrogen 2.986 N/A ARG 132.A N ASP 190.A OD1 no hydrogen 3.082 N/A ARG 132.A NE LEU 154.A O no hydrogen 3.036 N/A ARG 132.A NH1 TYR 185.A OH no hydrogen 2.905 N/A ARG 132.A NH2 LEU 154.A O no hydrogen 3.160 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.020 N/A ASN 138.A N LYS 135.A O no hydrogen 2.923 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.855 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.172 N/A VAL 139.A N ALA 136.A O no hydrogen 3.038 N/A LEU 140.A N LYS 148.A O no hydrogen 2.792 N/A ILE 141.A N HIS 92.A O no hydrogen 2.928 N/A THR 142.A N VAL 146.A O no hydrogen 2.892 N/A THR 142.A OG1 VAL 146.A O no hydrogen 3.226 N/A GLY 145.A N THR 142.A O no hydrogen 2.932 N/A VAL 146.A N THR 142.A OG1 no hydrogen 2.987 N/A LYS 148.A N LEU 140.A O no hydrogen 2.677 N/A LYS 148.A NZ GLU 70.A O no hydrogen 2.713 N/A LEU 149.A N ASN 71.A O no hydrogen 2.774 N/A ALA 150.A N ASN 138.A O no hydrogen 2.996 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.449 N/A ALA 155.A N PHE 152.A O no hydrogen 2.925 N/A ARG 156.A N LEU 130.A O no hydrogen 3.031 N/A PHE 158.A N LYS 128.A O no hydrogen 2.762 N/A ASN 163.A ND2 SER 159.A O no hydrogen 3.530 N/A TYR 165.A N ARG 183.A O no hydrogen 3.061 N/A ASN 166.A ND2 LEU 178.A O no hydrogen 2.982 N/A VAL 168.A N ASN 166.A O no hydrogen 2.730 N/A TRP 172.A NE1 GLY 210.A O no hydrogen 2.867 N/A TYR 173.A N THR 170.A O no hydrogen 3.021 N/A TYR 173.A OH GLU 200.A OE1 no hydrogen 3.118 N/A TYR 173.A OH GLU 200.A OE2 no hydrogen 3.115 N/A ARG 174.A N LEU 171.A O no hydrogen 3.099 N/A ARG 174.A NE VAL 168.A O no hydrogen 3.043 N/A ARG 174.A NE VAL 169.A O no hydrogen 3.024 N/A ARG 174.A NH2 VAL 169.A O no hydrogen 2.906 N/A LEU 180.A N PRO 176.A O no hydrogen 2.955 N/A GLY 181.A N LEU 178.A O no hydrogen 3.102 N/A GLU 182.A N GLU 177.A O no hydrogen 3.022 N/A ARG 183.A N GLU 182.A OE2 no hydrogen 3.088 N/A ASP 184.A N GLU 182.A OE2 no hydrogen 2.604 N/A ILE 189.A N GLY 186.A O no hydrogen 3.163 N/A ASP 190.A N PRO 187.A O no hydrogen 2.985 N/A TRP 192.A N PRO 188.A O no hydrogen 3.311 N/A ALA 194.A N ASP 190.A O no hydrogen 3.038 N/A GLY 195.A N LEU 191.A O no hydrogen 2.860 N/A CYS 196.A N TRP 192.A O no hydrogen 3.082 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.410 N/A ILE 197.A N GLY 193.A O no hydrogen 2.842 N/A MET 198.A N ALA 194.A O no hydrogen 2.792 N/A ALA 199.A N GLY 195.A O no hydrogen 3.064 N/A GLU 200.A N CYS 196.A O no hydrogen 2.960 N/A MET 201.A N ILE 197.A O no hydrogen 3.151 N/A MET 201.A N MET 198.A O no hydrogen 3.079 N/A TRP 202.A N ALA 199.A O no hydrogen 2.872 N/A THR 203.A N ALA 199.A O no hydrogen 3.135 N/A THR 203.A OG1 ALA 199.A O no hydrogen 3.490 N/A THR 203.A OG1 SER 205.A O no hydrogen 2.729 N/A ARG 204.A N GLU 200.A O no hydrogen 2.855 N/A ARG 204.A NH1 LEU 97.A O no hydrogen 3.274 N/A ARG 204.A NH1 LEU 98.A O no hydrogen 2.898 N/A ARG 204.A NH2 VAL 103.A O no hydrogen 2.634 N/A GLN 209.A NE2 PRO 206.A O no hydrogen 3.226 N/A GLY 210.A N MET 208.A O no hydrogen 3.112 N/A GLY 210.A N GLN 216.A OE1 no hydrogen 3.053 N/A ASN 211.A N HIS 215.A ND1 no hydrogen 2.982 N/A GLN 216.A N THR 212.A O no hydrogen 2.812 N/A GLN 216.A NE2 TRP 172.A O no hydrogen 3.377 N/A GLN 216.A NE2 MET 208.A O no hydrogen 3.386 N/A LEU 217.A N GLU 213.A O no hydrogen 3.142 N/A ALA 218.A N GLN 214.A O no hydrogen 3.024 N/A LEU 219.A N HIS 215.A O no hydrogen 2.991 N/A ILE 220.A N GLN 216.A O no hydrogen 2.856 N/A SER 221.A N LEU 217.A O no hydrogen 3.145 N/A SER 221.A N ALA 218.A O no hydrogen 2.900 N/A SER 221.A OG LEU 217.A O no hydrogen 3.260 N/A GLN 222.A N ALA 218.A O no hydrogen 3.096 N/A LEU 223.A N ILE 220.A O no hydrogen 3.335 N/A CYS 224.A N ILE 220.A O no hydrogen 2.728 N/A CYS 224.A SG LEU 270.A O no hydrogen 3.734 N/A GLY 225.A N SER 221.A O no hydrogen 2.976 N/A VAL 231.A N THR 228.A O no hydrogen 2.729 N/A TRP 232.A N THR 228.A O no hydrogen 2.938 N/A VAL 235.A N TRP 232.A O no hydrogen 2.923 N/A ASN 237.A N ASN 234.A O no hydrogen 3.133 N/A TYR 238.A N VAL 235.A O no hydrogen 3.419 N/A TYR 241.A N TYR 238.A O no hydrogen 3.415 N/A TYR 241.A OH ILE 227.A O no hydrogen 3.178 N/A LYS 250.A NZ ASP 264.A OD1 no hydrogen 3.244 N/A LYS 254.A N ASP 251.A O no hydrogen 3.378 N/A VAL 257.A N LEU 253.A O no hydrogen 2.969 N/A ALA 262.A N ASP 259.A OD1 no hydrogen 3.106 N/A LEU 263.A N ASP 259.A O no hydrogen 3.140 N/A ASP 264.A N PRO 260.A O no hydrogen 2.891 N/A LEU 265.A N TYR 261.A O no hydrogen 3.033 N/A ILE 266.A N ALA 262.A O no hydrogen 3.047 N/A ASP 267.A N LEU 263.A O no hydrogen 3.117 N/A ASP 267.A N ASP 264.A O no hydrogen 3.105 N/A LYS 268.A N ASP 264.A O no hydrogen 3.215 N/A LYS 268.A N LEU 265.A O no hydrogen 2.928 N/A LYS 268.A NZ ASP 264.A OD2 no hydrogen 3.196 N/A LEU 269.A N LEU 265.A O no hydrogen 3.119 N/A LEU 270.A N ILE 266.A O no hydrogen 3.040 N/A ALA 275.A N ASP 273.A OD1 no hydrogen 3.064 N/A GLN 276.A N ASP 273.A O no hydrogen 2.786 N/A GLN 276.A NE2 VAL 231.A O no hydrogen 3.640 N/A GLN 276.A NE2 ASP 273.A OD2 no hydrogen 2.737 N/A ARG 277.A N PRO 274.A O no hydrogen 3.279 N/A ARG 277.A NE VAL 271.A O no hydrogen 3.128 N/A ARG 277.A NH1 GLU 177.A OE1 no hydrogen 3.389 N/A ARG 277.A NH1 GLU 177.A OE2 no hydrogen 3.214 N/A ARG 277.A NH1 PRO 188.A O no hydrogen 2.754 N/A ARG 277.A NH2 GLU 177.A OE2 no hydrogen 2.779 N/A ARG 277.A NH2 VAL 271.A O no hydrogen 3.070 N/A ARG 277.A NH2 LEU 272.A O no hydrogen 3.183 N/A ILE 278.A N LYS 268.A O no hydrogen 3.076 N/A SER 280.A OG LEU 118.A O no hydrogen 3.280 N/A ASP 282.A N ASP 279.A OD1 no hydrogen 2.758 N/A ALA 283.A N ASP 279.A O no hydrogen 2.878 N/A LEU 284.A N SER 280.A O no hydrogen 2.995 N/A ASN 285.A N ASP 281.A O no hydrogen 3.241 N/A ASN 285.A N ASP 282.A O no hydrogen 3.321 N/A HIS 286.A N ALA 283.A O no hydrogen 3.118 N/A HIS 286.A NE2 ASP 264.A OD2 no hydrogen 2.872 N/A PHE 288.A N HIS 286.A ND1 no hydrogen 2.873 N/A PHE 289.A N HIS 286.A O no hydrogen 3.023 N/A TRP 290.A N ASP 287.A O no hydrogen 2.967 N/A TRP 290.A NE1 LEU 284.A O no hydrogen 2.950 N/A SER 291.A OG ASP 287.A O no hydrogen 2.791 N/A SER 296.A N SER 108.A O no hydrogen 2.750 N/A SER 296.A OG SER 108.A OG no hydrogen 2.578 N/A LYS 299.A N GLU 109.A OE2 no hydrogen 3.459 N/A