Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1scj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 78.A O no hydrogen 3.041 N/A SER 3.A N GLY 80.A O no hydrogen 2.726 N/A TYR 6.A OH VAL 203.A O no hydrogen 2.607 N/A ILE 8.A N PRO 5.A O no hydrogen 2.978 N/A GLN 10.A N TYR 6.A O no hydrogen 2.746 N/A GLN 10.A NE2 ASN 181.A O no hydrogen 3.124 N/A ILE 11.A N GLY 7.A O no hydrogen 3.156 N/A LYS 12.A N SER 9.A O no hydrogen 2.859 N/A ALA 13.A N ILE 8.A O no hydrogen 3.188 N/A HIS 17.A N ALA 13.A O no hydrogen 3.182 N/A HIS 17.A ND1 TYR 21.A O no hydrogen 3.349 N/A SER 18.A N PRO 14.A O no hydrogen 2.872 N/A SER 18.A OG PRO 14.A O no hydrogen 3.060 N/A GLN 19.A N ALA 15.A O no hydrogen 3.166 N/A GLN 19.A NE2 ALA 15.A O no hydrogen 3.612 N/A GLY 20.A N HIS 17.A O no hydrogen 2.745 N/A TYR 21.A N LEU 16.A O no hydrogen 2.928 N/A THR 22.A OG1 SER 87.A OG no hydrogen 2.802 N/A GLY 23.A N SER 236.A OG no hydrogen 3.106 N/A VAL 26.A N GLY 23.A O no hydrogen 3.040 N/A LYS 27.A N ASP 120.A OD2 no hydrogen 2.751 N/A VAL 28.A N SER 89.A O no hydrogen 2.958 N/A ALA 29.A N VAL 121.A O no hydrogen 2.743 N/A VAL 30.A N TYR 91.A O no hydrogen 2.885 N/A ILE 31.A N ASN 123.A O no hydrogen 3.101 N/A ASP 32.A N VAL 93.A O no hydrogen 2.995 N/A SER 33.A N ASP 32.A OD1 no hydrogen 2.709 N/A SER 33.A OG ASP 32.A OD1 no hydrogen 3.451 N/A SER 33.A OG ASP 60.A OD1 no hydrogen 2.722 N/A ILE 35.A N PRO 57.A O no hydrogen 3.051 N/A ASP 36.A N THR 66.A OG1 no hydrogen 2.972 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.033 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.652 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.252 N/A HIS 39.A N ASP 36.A O no hydrogen 3.159 N/A HIS 39.A NE2 THR 213.A O no hydrogen 2.937 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 2.910 N/A LEU 42.A N HIS 39.A O no hydrogen 3.066 N/A ARG 45.A N LEU 90.A O no hydrogen 2.911 N/A ALA 48.A N ALA 92.A O no hydrogen 2.834 N/A SER 49.A OG GLU 54.A O no hydrogen 2.568 N/A PHE 50.A N LYS 94.A O no hydrogen 2.739 N/A VAL 51.A N SER 49.A OG no hydrogen 3.394 N/A GLU 54.A N VAL 51.A O no hydrogen 3.070 N/A TYR 58.A N ASN 56.A OD1 no hydrogen 2.802 N/A GLN 59.A N ASN 56.A O no hydrogen 3.246 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.982 N/A SER 63.A N ASP 60.A OD1 no hydrogen 2.801 N/A SER 63.A OG SER 62.A O no hydrogen 2.539 N/A SER 63.A OG TYR 217.A OH no hydrogen 2.612 N/A HIS 64.A N SER 62.A OG no hydrogen 3.062 N/A HIS 64.A ND1 ASP 32.A OD1 no hydrogen 2.526 N/A GLY 65.A N SER 33.A OG no hydrogen 2.995 N/A THR 66.A N ASP 60.A OD2 no hydrogen 2.978 N/A THR 66.A OG1 ASP 60.A OD2 no hydrogen 2.608 N/A HIS 67.A N SER 63.A O no hydrogen 3.056 N/A HIS 67.A NE2 GLY 215.A O no hydrogen 2.973 N/A VAL 68.A N HIS 64.A O no hydrogen 2.995 N/A ALA 69.A N GLY 65.A O no hydrogen 2.912 N/A GLY 70.A N THR 66.A O no hydrogen 3.074 N/A THR 71.A N HIS 67.A O no hydrogen 3.265 N/A THR 71.A OG1 HIS 67.A O no hydrogen 3.478 N/A ILE 72.A N VAL 68.A O no hydrogen 3.187 N/A ALA 73.A N ALA 69.A O no hydrogen 2.896 N/A ALA 74.A N GLY 70.A O no hydrogen 2.977 N/A LEU 75.A N ASP 41.A O no hydrogen 2.912 N/A ASN 77.A N GLN 2.A OE1 no hydrogen 2.707 N/A ASN 77.A ND2 ASP 41.A OD1 no hydrogen 2.995 N/A ILE 79.A N ASN 77.A OD1 no hydrogen 2.927 N/A VAL 81.A N ASP 41.A OD2 no hydrogen 3.013 N/A GLY 83.A N ALA 74.A O no hydrogen 2.884 N/A VAL 84.A N THR 71.A O no hydrogen 3.003 N/A SER 85.A N ILE 72.A O no hydrogen 2.918 N/A SER 85.A OG ILE 72.A O no hydrogen 3.209 N/A SER 87.A N THR 22.A O no hydrogen 2.995 N/A SER 87.A OG THR 22.A OG1 no hydrogen 2.802 N/A ALA 88.A N SER 85.A O no hydrogen 3.043 N/A SER 89.A N VAL 26.A O no hydrogen 2.989 N/A TYR 91.A N VAL 28.A O no hydrogen 2.813 N/A ALA 92.A N GLY 46.A O no hydrogen 2.895 N/A VAL 93.A N VAL 30.A O no hydrogen 3.087 N/A LYS 94.A N ALA 48.A O no hydrogen 2.910 N/A LYS 94.A NZ GLU 54.A OE1 no hydrogen 2.700 N/A LYS 94.A NZ GLN 59.A O no hydrogen 2.609 N/A VAL 95.A N ASP 32.A O no hydrogen 2.783 N/A LEU 96.A N ASP 32.A O no hydrogen 3.113 N/A ASP 97.A N SER 101.A O no hydrogen 2.792 N/A SER 98.A N GLU 54.A OE2 no hydrogen 2.803 N/A SER 98.A OG GLU 54.A OE1 no hydrogen 3.235 N/A SER 98.A OG GLU 54.A OE2 no hydrogen 3.039 N/A THR 99.A N ASP 97.A OD1 no hydrogen 2.851 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 2.587 N/A THR 99.A OG1 SER 101.A OG no hydrogen 2.901 N/A GLY 100.A N ASP 97.A O no hydrogen 2.767 N/A SER 101.A N ASP 97.A OD1 no hydrogen 3.323 N/A SER 101.A OG THR 99.A OG1 no hydrogen 2.901 N/A TYR 104.A OH THR 130.A O no hydrogen 2.682 N/A ILE 107.A N GLN 103.A O no hydrogen 3.071 N/A ILE 108.A N TYR 104.A O no hydrogen 2.778 N/A ASN 109.A N SER 105.A O no hydrogen 2.901 N/A GLY 110.A N TRP 106.A O no hydrogen 2.919 N/A ILE 111.A N ILE 107.A O no hydrogen 2.923 N/A GLU 112.A N ILE 108.A O no hydrogen 2.802 N/A TRP 113.A N ASN 109.A O no hydrogen 3.058 N/A ALA 114.A N GLY 110.A O no hydrogen 3.061 N/A ILE 115.A N ILE 111.A O no hydrogen 2.999 N/A SER 116.A N GLU 112.A O no hydrogen 2.903 N/A SER 116.A OG GLU 112.A O no hydrogen 3.272 N/A ASN 117.A N TRP 113.A O no hydrogen 2.847 N/A ASN 117.A ND2 TRP 113.A O no hydrogen 2.932 N/A ASN 118.A N ILE 115.A O no hydrogen 3.190 N/A MET 119.A N ALA 114.A O no hydrogen 3.038 N/A ASP 120.A N LYS 27.A O no hydrogen 2.788 N/A VAL 121.A N LYS 27.A O no hydrogen 3.001 N/A ILE 122.A N VAL 148.A O no hydrogen 2.871 N/A ASN 123.A N ALA 29.A O no hydrogen 2.858 N/A ASN 123.A ND2 SER 125.A OG no hydrogen 2.736 N/A MET 124.A N ALA 150.A O no hydrogen 2.849 N/A SER 125.A OG CYS 221.A O no hydrogen 2.855 N/A GLY 128.A N TYR 167.A O no hydrogen 3.013 N/A SER 132.A N TYR 171.A OH no hydrogen 2.870 N/A LEU 135.A N SER 132.A OG no hydrogen 3.085 N/A LYS 136.A N SER 132.A O no hydrogen 2.978 N/A LYS 136.A NZ ASP 140.A OD2 no hydrogen 2.731 N/A THR 137.A N THR 133.A O no hydrogen 2.991 N/A THR 137.A OG1 THR 133.A O no hydrogen 2.830 N/A VAL 138.A N ALA 134.A O no hydrogen 3.054 N/A VAL 139.A N LEU 135.A O no hydrogen 2.856 N/A ASP 140.A N LYS 136.A O no hydrogen 2.797 N/A LYS 141.A N THR 137.A O no hydrogen 2.791 N/A ALA 142.A N VAL 138.A O no hydrogen 2.987 N/A VAL 143.A N VAL 139.A O no hydrogen 3.024 N/A SER 144.A N ASP 140.A O no hydrogen 2.793 N/A SER 144.A OG ASP 140.A O no hydrogen 3.284 N/A SER 144.A OG LYS 141.A O no hydrogen 3.260 N/A SER 145.A N LYS 141.A O no hydrogen 2.895 N/A SER 145.A OG LYS 141.A O no hydrogen 2.772 N/A GLY 146.A N VAL 143.A O no hydrogen 3.035 N/A ILE 147.A N ALA 142.A O no hydrogen 3.073 N/A VAL 148.A N ASP 120.A O no hydrogen 3.178 N/A ALA 150.A N ILE 122.A O no hydrogen 2.991 N/A ALA 151.A N ILE 175.A O no hydrogen 2.920 N/A ALA 152.A N MET 124.A O no hydrogen 3.004 N/A ALA 153.A N VAL 177.A O no hydrogen 2.941 N/A GLY 154.A N THR 220.A OG1 no hydrogen 3.149 N/A GLU 156.A N SER 191.A OG no hydrogen 2.892 N/A GLY 157.A N PHE 189.A O no hydrogen 2.755 N/A THR 162.A N SER 159.A O no hydrogen 2.892 N/A SER 163.A OG ALA 192.A O no hydrogen 3.523 N/A SER 163.A OG GLU 195.A OE1 no hydrogen 2.714 N/A THR 164.A N ALA 192.A O no hydrogen 2.764 N/A THR 164.A OG1 GLY 157.A O no hydrogen 2.575 N/A THR 164.A OG1 ALA 192.A O no hydrogen 3.535 N/A VAL 165.A N SER 163.A OG no hydrogen 3.250 N/A GLY 166.A N ALA 153.A O no hydrogen 2.819 N/A TYR 167.A N GLY 128.A O no hydrogen 2.842 N/A LYS 170.A N GLY 166.A O no hydrogen 2.786 N/A LYS 170.A NZ VAL 165.A O no hydrogen 3.073 N/A TYR 171.A N PRO 168.A O no hydrogen 3.045 N/A SER 173.A OG ASP 140.A OD1 no hydrogen 2.661 N/A THR 174.A N TYR 171.A O no hydrogen 3.194 N/A THR 174.A OG1 PRO 168.A O no hydrogen 3.101 N/A THR 174.A OG1 TYR 171.A O no hydrogen 3.149 N/A ILE 175.A N VAL 149.A O no hydrogen 2.828 N/A ALA 176.A N ASP 197.A OD2 no hydrogen 2.693 N/A VAL 177.A N ALA 151.A O no hydrogen 2.903 N/A GLY 178.A N VAL 198.A O no hydrogen 2.825 N/A ALA 179.A N SER 190.A OG no hydrogen 3.003 N/A VAL 180.A N ALA 200.A O no hydrogen 3.049 N/A ASN 181.A N GLN 185.A O no hydrogen 2.827 N/A ASN 181.A ND2 GLN 185.A OE1 no hydrogen 3.038 N/A SER 183.A N ASN 181.A OD1 no hydrogen 2.717 N/A ASN 184.A N ASN 181.A O no hydrogen 2.995 N/A GLN 185.A N ASN 181.A OD1 no hydrogen 2.910 N/A ARG 186.A N TYR 263.A OH no hydrogen 3.063 N/A ARG 186.A NE SER 190.A O no hydrogen 3.197 N/A ARG 186.A NH2 SER 190.A O no hydrogen 2.810 N/A ALA 187.A N ALA 179.A O no hydrogen 2.902 N/A SER 190.A N ALA 187.A O no hydrogen 3.010 N/A SER 191.A N GLY 154.A O no hydrogen 2.879 N/A SER 191.A OG THR 164.A O no hydrogen 2.998 N/A ALA 192.A N THR 164.A OG1 no hydrogen 3.138 N/A GLY 193.A N PHE 261.A O no hydrogen 2.975 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.712 N/A LEU 196.A N GLY 193.A O no hydrogen 3.095 N/A ASP 197.A N ALA 176.A O no hydrogen 3.005 N/A VAL 198.A N ALA 176.A O no hydrogen 3.273 N/A MET 199.A N GLY 266.A O no hydrogen 2.840 N/A ALA 200.A N GLY 178.A O no hydrogen 3.078 N/A GLY 202.A N VAL 180.A O no hydrogen 2.978 N/A SER 204.A N ASN 218.A OD1 no hydrogen 2.504 N/A ILE 205.A N TYR 217.A O no hydrogen 2.953 N/A SER 207.A N GLY 215.A O no hydrogen 2.968 N/A SER 207.A OG HIS 67.A O no hydrogen 2.720 N/A THR 208.A N SER 207.A OG no hydrogen 2.653 N/A THR 208.A OG1 THR 66.A O no hydrogen 2.759 N/A LEU 209.A N THR 213.A O no hydrogen 2.924 N/A GLY 211.A N ASP 36.A OD2 no hydrogen 2.937 N/A THR 213.A N LEU 209.A O no hydrogen 3.346 N/A THR 213.A OG1 PRO 210.A O no hydrogen 3.302 N/A GLY 215.A N SER 207.A O no hydrogen 2.947 N/A TYR 217.A N ILE 205.A O no hydrogen 3.108 N/A TYR 217.A OH SER 63.A OG no hydrogen 2.612 N/A GLY 219.A N GLY 202.A O no hydrogen 2.820 N/A MET 222.A N GLY 219.A O no hydrogen 2.977 N/A ALA 223.A N GLY 219.A O no hydrogen 3.250 N/A THR 224.A N THR 220.A O no hydrogen 2.947 N/A THR 224.A OG1 THR 220.A O no hydrogen 2.709 N/A HIS 226.A N ALA 223.A O no hydrogen 3.035 N/A HIS 226.A ND1 MET 222.A O no hydrogen 2.865 N/A VAL 227.A N THR 224.A O no hydrogen 2.813 N/A ALA 228.A N THR 224.A O no hydrogen 2.947 N/A GLY 229.A N PRO 225.A O no hydrogen 2.876 N/A ALA 230.A N HIS 226.A O no hydrogen 2.973 N/A ALA 231.A N VAL 227.A O no hydrogen 2.971 N/A ALA 232.A N ALA 228.A O no hydrogen 3.076 N/A LEU 233.A N GLY 229.A O no hydrogen 2.830 N/A ILE 234.A N ALA 230.A O no hydrogen 2.904 N/A LEU 235.A N ALA 231.A O no hydrogen 2.951 N/A SER 236.A N ALA 232.A O no hydrogen 3.012 N/A SER 236.A OG LEU 233.A O no hydrogen 2.801 N/A LYS 237.A N LEU 233.A O no hydrogen 3.150 N/A LYS 237.A N ILE 234.A O no hydrogen 3.157 N/A LYS 237.A NZ GLN 19.A OE1 no hydrogen 2.732 N/A LYS 237.A NZ ALA 274.A O no hydrogen 3.021 N/A HIS 238.A N ILE 234.A O no hydrogen 2.743 N/A TRP 241.A N HIS 238.A O no hydrogen 2.986 N/A THR 242.A N GLN 245.A OE1 no hydrogen 2.894 N/A ASN 243.A ND2 VAL 143.A O no hydrogen 2.806 N/A ASN 243.A ND2 ILE 147.A O no hydrogen 3.101 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.157 N/A VAL 246.A N THR 242.A O no hydrogen 2.977 N/A ARG 247.A N ASN 243.A O no hydrogen 3.034 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.996 N/A ARG 247.A NH1 PRO 172.A O no hydrogen 2.946 N/A ARG 247.A NH2 GLU 251.A OE2 no hydrogen 3.523 N/A ASP 248.A N ALA 244.A O no hydrogen 2.882 N/A ARG 249.A N GLN 245.A O no hydrogen 3.041 N/A ARG 249.A NH1 ALA 273.A O no hydrogen 2.671 N/A ARG 249.A NH1 GLN 275.A OXT no hydrogen 2.699 N/A ARG 249.A NH2 GLN 275.A OXT no hydrogen 3.418 N/A LEU 250.A N VAL 246.A O no hydrogen 3.059 N/A GLU 251.A N ARG 247.A O no hydrogen 3.016 N/A SER 252.A N ASP 248.A O no hydrogen 2.700 N/A SER 252.A OG ASP 248.A O no hydrogen 3.061 N/A THR 253.A N ARG 249.A O no hydrogen 3.051 N/A THR 253.A OG1 ARG 249.A O no hydrogen 2.594 N/A ALA 254.A N GLU 251.A O no hydrogen 3.353 N/A THR 255.A N LEU 267.A O no hydrogen 2.696 N/A PHE 261.A N ASN 259.A OD1 no hydrogen 3.049 N/A TYR 262.A N ASN 259.A O no hydrogen 2.947 N/A TYR 263.A N ASN 259.A O no hydrogen 2.991 N/A GLY 264.A N SER 260.A O no hydrogen 2.783 N/A LYS 265.A N ASP 197.A O no hydrogen 2.790 N/A GLY 266.A N TYR 263.A O no hydrogen 2.805 N/A LEU 267.A N THR 255.A O no hydrogen 2.981 N/A ILE 268.A N MET 199.A O no hydrogen 3.237 N/A VAL 270.A N ILE 11.A O no hydrogen 2.918 N/A ALA 272.A N ASN 269.A OD1 no hydrogen 2.809 N/A ALA 273.A N ASN 269.A O no hydrogen 2.974 N/A ALA 274.A N VAL 270.A O no hydrogen 2.999 N/A GLN 275.A N ALA 272.A O no hydrogen 3.164 N/A GLN 275.A NE2 ALA 272.A O no hydrogen 2.812 N/A