Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dmm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N VAL 102.A O no hydrogen 2.563 N/A HIS 2.A ND1 ASP 28.A OD1 no hydrogen 2.549 N/A SER 3.A N ASP 28.A OD2 no hydrogen 2.641 N/A LEU 4.A N CYS 100.A O no hydrogen 3.040 N/A ARG 5.A N TYR 26.A O no hydrogen 2.728 N/A ARG 5.A NH2 ASP 101.A OD2 no hydrogen 3.321 N/A TYR 6.A N ALA 98.A O no hydrogen 2.923 N/A PHE 7.A N VAL 24.A O no hydrogen 2.908 N/A VAL 8.A N TRP 96.A O no hydrogen 2.591 N/A THR 9.A N MET 22.A O no hydrogen 2.755 N/A ALA 10.A N LEU 94.A O no hydrogen 2.871 N/A VAL 11.A N ARG 20.A O no hydrogen 2.926 N/A SER 12.A N HIS 92.A O no hydrogen 3.037 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.854 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 3.296 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 3.391 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 2.946 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.915 N/A PHE 16.A N ARG 13.A O no hydrogen 2.683 N/A ARG 20.A N VAL 11.A O no hydrogen 2.979 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 2.583 N/A TYR 21.A N SER 37.A OG no hydrogen 2.705 N/A TYR 21.A OH GLU 23.A OE2 no hydrogen 2.262 N/A MET 22.A N THR 9.A O no hydrogen 2.928 N/A GLU 23.A N PHE 35.A O no hydrogen 2.829 N/A VAL 24.A N PHE 7.A O no hydrogen 3.021 N/A GLY 25.A N VAL 33.A O no hydrogen 2.874 N/A TYR 26.A N ARG 5.A O no hydrogen 2.609 N/A VAL 27.A N THR 30.A O no hydrogen 2.758 N/A ASP 28.A N SER 3.A O no hydrogen 2.946 N/A THR 30.A N VAL 27.A O no hydrogen 2.794 N/A THR 30.A OG1 ASP 28.A O no hydrogen 3.237 N/A PHE 32.A N GLY 25.A O no hydrogen 2.950 N/A VAL 33.A N GLY 25.A O no hydrogen 3.520 N/A ARG 34.A N GLU 45.A O no hydrogen 3.276 N/A ARG 34.A NE GLU 31.A OE2 no hydrogen 2.924 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 2.969 N/A ARG 34.A NH2 GLU 31.A OE2 no hydrogen 3.533 N/A PHE 35.A N GLU 23.A O no hydrogen 2.846 N/A SER 37.A N TYR 21.A O no hydrogen 2.860 N/A SER 37.A OG TYR 21.A O no hydrogen 2.986 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.689 N/A ALA 39.A N ASP 36.A O no hydrogen 3.280 N/A ARG 43.A NE GLU 45.A OE2 no hydrogen 2.859 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.186 N/A TYR 44.A OH GLU 23.A OE1 no hydrogen 2.501 N/A GLU 45.A N ARG 34.A O no hydrogen 2.872 N/A ARG 47.A N PHE 32.A O no hydrogen 2.719 N/A ARG 47.A NH1 GLU 31.A OE2 no hydrogen 3.295 N/A ILE 51.A N ALA 48.A O no hydrogen 3.149 N/A GLU 52.A N ARG 49.A O no hydrogen 3.406 N/A GLN 53.A NE2 TRP 50.A O no hydrogen 2.965 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.330 N/A TYR 58.A N GLY 55.A O no hydrogen 2.708 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.595 N/A GLU 60.A N PRO 56.A O no hydrogen 2.867 N/A ARG 61.A N GLU 57.A O no hydrogen 3.019 N/A ARG 61.A NH2 GLU 162.A OE2 no hydrogen 3.514 N/A GLU 62.A N TYR 58.A O no hydrogen 3.015 N/A THR 63.A N TRP 59.A O no hydrogen 2.947 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.713 N/A ARG 64.A N GLU 60.A O no hydrogen 2.934 N/A ARG 65.A N ARG 61.A O no hydrogen 2.885 N/A ARG 65.A NE GLU 62.A OE1 no hydrogen 3.101 N/A ARG 65.A NH1 GLU 23.A OE1 no hydrogen 3.029 N/A ARG 65.A NH2 GLU 23.A OE1 no hydrogen 3.210 N/A ARG 65.A NH2 TYR 44.A OH no hydrogen 2.559 N/A ARG 65.A NH2 GLU 62.A OE2 no hydrogen 3.475 N/A ALA 66.A N GLU 62.A O no hydrogen 2.847 N/A LYS 67.A N THR 63.A O no hydrogen 2.852 N/A LYS 67.A NZ PRO 42.A O no hydrogen 3.202 N/A GLY 68.A N ARG 64.A O no hydrogen 3.054 N/A ASN 69.A N ARG 65.A O no hydrogen 2.894 N/A ASN 69.A ND2 GLU 23.A OE2 no hydrogen 3.041 N/A GLU 70.A N ALA 66.A O no hydrogen 2.715 N/A GLN 71.A N LYS 67.A O no hydrogen 3.217 N/A SER 72.A N GLY 68.A O no hydrogen 3.394 N/A SER 72.A OG GLY 68.A O no hydrogen 3.492 N/A PHE 73.A N ASN 69.A O no hydrogen 3.077 N/A ARG 74.A N GLU 70.A O no hydrogen 3.028 N/A VAL 75.A N GLN 71.A O no hydrogen 3.252 N/A ASP 76.A N SER 72.A O no hydrogen 2.777 N/A LEU 77.A N PHE 73.A O no hydrogen 2.989 N/A ARG 78.A N ARG 74.A O no hydrogen 3.422 N/A THR 79.A N VAL 75.A O no hydrogen 2.904 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.014 N/A ALA 80.A N ASP 76.A O no hydrogen 2.786 N/A LEU 81.A N LEU 77.A O no hydrogen 3.392 N/A ARG 82.A N THR 79.A O no hydrogen 2.929 N/A TYR 83.A N THR 79.A O no hydrogen 2.985 N/A TYR 84.A N ALA 80.A O no hydrogen 3.039 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.113 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 3.226 N/A ASN 85.A N ARG 82.A O no hydrogen 2.831 N/A GLN 86.A N LEU 81.A O no hydrogen 2.687 N/A SER 91.A OG SER 12.A O no hydrogen 2.848 N/A HIS 92.A N SER 12.A OG no hydrogen 3.021 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.673 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.911 N/A LEU 94.A N ALA 10.A O no hydrogen 2.851 N/A GLN 95.A N ALA 116.A O no hydrogen 2.884 N/A TRP 96.A N VAL 8.A O no hydrogen 2.834 N/A MET 97.A N GLN 114.A O no hydrogen 3.000 N/A ALA 98.A N TYR 6.A O no hydrogen 3.065 N/A GLY 99.A N TYR 112.A O no hydrogen 2.840 N/A CYS 100.A N LEU 4.A O no hydrogen 3.001 N/A ASP 101.A N ARG 110.A O no hydrogen 2.885 N/A VAL 102.A N HIS 2.A O no hydrogen 2.600 N/A GLU 103.A N ARG 107.A O no hydrogen 3.085 N/A GLY 106.A N GLU 103.A O no hydrogen 2.582 N/A LEU 109.A N ASP 101.A O no hydrogen 2.910 N/A ARG 110.A N ASP 101.A O no hydrogen 3.425 N/A ARG 110.A NE GLY 111.A O no hydrogen 3.200 N/A TYR 112.A N GLY 99.A O no hydrogen 2.574 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 3.250 N/A GLN 114.A N MET 97.A O no hydrogen 3.044 N/A PHE 115.A N ILE 123.A O no hydrogen 2.800 N/A ALA 116.A N GLN 95.A O no hydrogen 2.958 N/A TYR 117.A N CYS 120.A O no hydrogen 2.880 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.688 N/A ASP 118.A N THR 93.A O no hydrogen 2.778 N/A CYS 120.A N TYR 117.A O no hydrogen 3.164 N/A TYR 122.A N PHE 115.A O no hydrogen 3.112 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.644 N/A ALA 124.A N THR 133.A O no hydrogen 3.134 N/A LEU 125.A N TRP 113.A O no hydrogen 2.872 N/A ASN 126.A N THR 131.A O no hydrogen 3.244 N/A ASN 126.A ND2 THR 131.A OG1 no hydrogen 3.011 N/A LEU 129.A N ASN 126.A O no hydrogen 2.864 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 3.001 N/A THR 131.A N ASP 128.A OD1 no hydrogen 3.094 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 2.682 N/A THR 133.A N ALA 124.A O no hydrogen 2.991 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.331 N/A ALA 135.A N TYR 122.A O no hydrogen 2.870 N/A ALA 138.A N ASP 136.A OD2 no hydrogen 3.205 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 3.151 N/A GLN 140.A N ASP 136.A O no hydrogen 2.997 N/A ILE 141.A N MET 137.A O no hydrogen 3.482 N/A THR 142.A N ALA 138.A O no hydrogen 3.231 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.644 N/A THR 142.A OG1 ALA 138.A O no hydrogen 3.490 N/A ARG 143.A N ALA 139.A O no hydrogen 2.689 N/A ARG 144.A N GLN 140.A O no hydrogen 2.924 N/A LYS 145.A N ILE 141.A O no hydrogen 3.021 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 2.938 N/A TRP 146.A N THR 142.A O no hydrogen 2.836 N/A GLU 147.A N ARG 143.A O no hydrogen 2.690 N/A GLU 147.A N ARG 144.A O no hydrogen 3.229 N/A GLN 148.A N ARG 144.A O no hydrogen 3.009 N/A ALA 149.A N LYS 145.A O no hydrogen 2.809 N/A GLY 150.A N TRP 146.A O no hydrogen 3.235 N/A ALA 151.A N TRP 146.A O no hydrogen 3.192 N/A ASP 155.A N ALA 151.A O no hydrogen 2.887 N/A ARG 156.A N ALA 152.A O no hydrogen 2.682 N/A ARG 156.A NE GLU 160.A OE2 no hydrogen 2.764 N/A ARG 156.A NH2 GLU 160.A OE2 no hydrogen 3.133 N/A ALA 157.A N GLU 153.A O no hydrogen 3.085 N/A TYR 158.A N ARG 154.A O no hydrogen 3.288 N/A TYR 158.A N ASP 155.A O no hydrogen 3.081 N/A LEU 159.A N ASP 155.A O no hydrogen 2.923 N/A GLU 160.A N ARG 156.A O no hydrogen 2.786 N/A CYS 163.A N TYR 158.A O no hydrogen 2.936 N/A GLU 165.A N GLY 161.A O no hydrogen 3.143 N/A TRP 166.A N GLU 162.A O no hydrogen 2.962 N/A LEU 167.A N CYS 163.A O no hydrogen 3.004 N/A ARG 168.A N VAL 164.A O no hydrogen 3.119 N/A ARG 168.A NH2 GLU 165.A OE1 no hydrogen 3.543 N/A ARG 169.A N GLU 165.A O no hydrogen 3.063 N/A TYR 170.A N TRP 166.A O no hydrogen 2.912 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.595 N/A LEU 171.A N LEU 167.A O no hydrogen 2.873 N/A LYS 172.A N ARG 168.A O no hydrogen 3.122 N/A LYS 172.A NZ ASN 173.A OD1 no hydrogen 3.146 N/A ASN 173.A N ARG 169.A O no hydrogen 3.072 N/A GLY 174.A N TYR 170.A O no hydrogen 2.736 N/A ASN 175.A N LYS 172.A O no hydrogen 3.182 N/A THR 177.A N GLY 174.A O no hydrogen 2.933 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.420 N/A LEU 178.A N GLY 174.A O no hydrogen 2.899 N/A LEU 179.A N ASN 175.A O no hydrogen 3.169 N/A ARG 180.A N THR 177.A O no hydrogen 3.250 N/A ARG 180.A NH1 THR 177.A O no hydrogen 3.018 N/A ASP 182.A N TYR 208.A O no hydrogen 2.729 N/A LYS 185.A N LEU 205.A O no hydrogen 2.851 N/A HIS 187.A N TRP 203.A O no hydrogen 2.861 N/A THR 189.A N ARG 201.A O no hydrogen 2.873 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.705 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.454 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 2.862 N/A HIS 191.A N THR 199.A O no hydrogen 2.842 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.705 N/A ARG 193.A N ASP 197.A O no hydrogen 2.897 N/A ARG 193.A NE ASP 197.A OD1 no hydrogen 2.381 N/A ARG 193.A NH2 ASP 197.A OD1 no hydrogen 3.030 N/A ARG 193.A NH2 ASP 197.A OD2 no hydrogen 2.637 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.340 N/A GLY 196.A N ARG 193.A O no hydrogen 2.940 N/A VAL 198.A N VAL 248.A O no hydrogen 2.743 N/A THR 199.A N HIS 191.A O no hydrogen 2.878 N/A LEU 200.A N VAL 246.A O no hydrogen 2.926 N/A ARG 201.A N THR 189.A O no hydrogen 3.133 N/A CYS 202.A N ALA 244.A O no hydrogen 2.685 N/A TRP 203.A N HIS 187.A O no hydrogen 2.622 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 3.074 N/A ALA 204.A N LYS 242.A O no hydrogen 2.920 N/A LEU 205.A N LYS 185.A O no hydrogen 2.996 N/A PHE 207.A N PHE 240.A O no hydrogen 3.247 N/A TYR 208.A N ASP 182.A O no hydrogen 2.808 N/A TYR 208.A OH LEU 178.A O no hydrogen 3.329 N/A THR 213.A N GLU 261.A O no hydrogen 2.875 N/A THR 215.A N HIS 259.A O no hydrogen 3.112 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.970 N/A GLN 217.A N THR 257.A O no hydrogen 2.778 N/A GLU 221.A N LEU 218.A O no hydrogen 3.097 N/A LEU 223.A N TRP 216.A O no hydrogen 2.782 N/A GLU 226.A N LEU 223.A O no hydrogen 3.212 N/A MET 227.A N LEU 223.A O no hydrogen 3.214 N/A GLU 228.A N SER 245.A O no hydrogen 2.681 N/A ARG 233.A N GLN 241.A O no hydrogen 2.831 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 3.156 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.224 N/A ALA 235.A N THR 239.A O no hydrogen 3.270 N/A GLY 238.A N ALA 235.A O no hydrogen 3.025 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.805 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.611 N/A PHE 240.A N PHE 207.A O no hydrogen 2.714 N/A GLN 241.A N ARG 233.A O no hydrogen 2.862 N/A LYS 242.A N ALA 204.A O no hydrogen 3.113 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.965 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.210 N/A ALA 244.A N CYS 202.A O no hydrogen 3.004 N/A SER 245.A N GLU 228.A O no hydrogen 2.557 N/A VAL 246.A N LEU 200.A O no hydrogen 2.968 N/A VAL 248.A N VAL 198.A O no hydrogen 2.600 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.662 N/A LYS 252.A N PRO 249.A O no hydrogen 2.891 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.455 N/A LYS 255.A N LYS 252.A O no hydrogen 2.935 N/A TYR 256.A N GLU 253.A O no hydrogen 2.853 N/A THR 257.A N GLN 217.A O no hydrogen 3.056 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 2.922 N/A CYS 258.A N LEU 271.A O no hydrogen 2.860 N/A CYS 258.A SG THR 215.A O no hydrogen 4.043 N/A HIS 259.A N THR 215.A O no hydrogen 2.639 N/A VAL 260.A N LEU 269.A O no hydrogen 3.054 N/A GLU 261.A N THR 213.A O no hydrogen 2.900 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 3.044 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 2.776 N/A LEU 265.A N HIS 262.A O no hydrogen 2.880 N/A LEU 269.A N VAL 260.A O no hydrogen 3.037 N/A LEU 271.A N CYS 258.A O no hydrogen 2.952 N/A ARG 272.A NE GLN 254.A O no hydrogen 2.803 N/A GLY 274.A N GLN 254.A OE1 no hydrogen 2.981 N/A