Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A O no hydrogen 2.852 N/A GLN 6.A N ALA 3.A O no hydrogen 3.115 N/A GLN 7.A N ALA 4.A O no hydrogen 3.078 N/A THR 8.A N ALA 4.A O no hydrogen 3.177 N/A THR 8.A N ILE 5.A O no hydrogen 3.051 N/A THR 8.A OG1 GLY 43.A O no hydrogen 2.435 N/A LEU 9.A N ILE 5.A O no hydrogen 3.032 N/A ALA 10.A N GLN 6.A O no hydrogen 2.989 N/A LYS 11.A N THR 8.A O no hydrogen 3.260 N/A MET 12.A N LEU 9.A O no hydrogen 3.074 N/A ILE 14.A N LEU 9.A O no hydrogen 3.303 N/A SER 17.A N LYS 15.A O no hydrogen 2.975 N/A SER 17.A OG LYS 15.A O no hydrogen 3.568 N/A ASP 18.A N LEU 31.A O no hydrogen 2.828 N/A GLN 20.A N THR 29.A O no hydrogen 2.699 N/A MET 27.A N VAL 24.A O no hydrogen 3.162 N/A LYS 28.A N ILE 39.A O no hydrogen 2.770 N/A THR 29.A N GLN 20.A O no hydrogen 2.824 N/A THR 29.A OG1 PRO 21.A O no hydrogen 2.730 N/A VAL 30.A N LEU 37.A O no hydrogen 2.813 N/A LEU 31.A N ASP 18.A O no hydrogen 2.819 N/A THR 32.A N GLY 35.A O no hydrogen 2.985 N/A THR 32.A OG1 GLY 35.A O no hydrogen 2.696 N/A SER 34.A N THR 32.A OG1 no hydrogen 3.013 N/A LEU 37.A N VAL 30.A O no hydrogen 2.820 N/A TYR 38.A N ILE 47.A O no hydrogen 2.942 N/A TYR 38.A OH THR 63.A OG1 no hydrogen 2.493 N/A ILE 39.A N LYS 28.A O no hydrogen 3.075 N/A THR 40.A N HIS 45.A O no hydrogen 3.135 N/A THR 40.A OG1 ASP 42.A OD1 no hydrogen 3.307 N/A THR 40.A OG1 HIS 45.A O no hydrogen 3.458 N/A ASP 41.A N GLY 26.A O no hydrogen 2.659 N/A GLY 43.A N THR 40.A O no hydrogen 2.694 N/A LYS 44.A N ASP 42.A OD1 no hydrogen 2.691 N/A HIS 45.A N THR 40.A OG1 no hydrogen 3.081 N/A ILE 47.A N TYR 38.A O no hydrogen 2.723 N/A MET 51.A N THR 63.A OG1 no hydrogen 3.036 N/A ASP 53.A N VAL 60.A O no hydrogen 2.812 N/A SER 55.A N ASP 53.A OD1 no hydrogen 3.072 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.663 N/A VAL 60.A N ASP 53.A O no hydrogen 3.371 N/A VAL 62.A N MET 51.A O no hydrogen 2.982 N/A THR 63.A N ASN 61.A OD1 no hydrogen 3.200 N/A THR 63.A OG1 TYR 38.A OH no hydrogen 2.493 N/A ASN 64.A N ASN 61.A OD1 no hydrogen 3.368 N/A ASN 64.A ND2 GLY 190.A O no hydrogen 3.169 N/A LYS 65.A N ASN 61.A O no hydrogen 3.211 N/A MET 66.A N VAL 62.A O no hydrogen 2.978 N/A LEU 67.A N THR 63.A O no hydrogen 2.976 N/A LEU 68.A N ASN 64.A O no hydrogen 2.830 N/A LYS 69.A N LYS 65.A O no hydrogen 3.206 N/A GLN 70.A N MET 66.A O no hydrogen 3.237 N/A LEU 71.A N LEU 67.A O no hydrogen 2.970 N/A ASN 72.A N LEU 68.A O no hydrogen 3.204 N/A ALA 73.A N LYS 69.A O no hydrogen 3.108 N/A LEU 74.A N LEU 71.A O no hydrogen 3.020 N/A GLU 75.A N ASN 72.A O no hydrogen 3.500 N/A GLU 77.A N LEU 74.A O no hydrogen 2.868 N/A MET 78.A N GLU 75.A O no hydrogen 3.268 N/A ILE 79.A N TYR 120.A O no hydrogen 3.218 N/A TYR 81.A N VAL 118.A O no hydrogen 2.780 N/A TYR 81.A OH ASN 146.A O no hydrogen 3.205 N/A TYR 81.A OH ASP 150.A OD1 no hydrogen 2.699 N/A LYS 82.A NZ GLU 86.A OE1 no hydrogen 3.182 N/A ALA 83.A N THR 117.A OG1 no hydrogen 2.854 N/A LYS 87.A N GLY 115.A O no hydrogen 2.667 N/A HIS 88.A N GLY 115.A O no hydrogen 3.008 N/A HIS 88.A NE2 ASP 207.A OD1 no hydrogen 2.895 N/A ILE 90.A N THR 117.A O no hydrogen 2.940 N/A THR 91.A N VAL 186.A O no hydrogen 3.175 N/A VAL 92.A N ARG 119.A O no hydrogen 2.764 N/A PHE 93.A N ALA 184.A O no hydrogen 2.783 N/A THR 94.A N LEU 121.A O no hydrogen 2.959 N/A THR 97.A N ASP 95.A OD1 no hydrogen 3.041 N/A THR 97.A OG1 ASP 95.A OD1 no hydrogen 2.859 N/A THR 97.A OG1 ASP 95.A OD2 no hydrogen 3.198 N/A CYS 98.A N ASP 95.A O no hydrogen 3.187 N/A CYS 98.A SG THR 182.A O no hydrogen 3.296 N/A CYS 98.A SG THR 182.A OG1 no hydrogen 3.170 N/A CYS 101.A SG THR 94.A OG1 no hydrogen 3.154 N/A HIS 102.A N CYS 98.A O no hydrogen 3.235 N/A HIS 102.A NE2 ILE 96.A O no hydrogen 2.809 N/A LYS 103.A N GLY 99.A O no hydrogen 3.053 N/A LEU 104.A N TYR 100.A O no hydrogen 2.923 N/A HIS 105.A N CYS 101.A O no hydrogen 3.043 N/A HIS 105.A ND1 TYR 120.A OH no hydrogen 2.939 N/A HIS 105.A NE2 ASP 150.A OD1 no hydrogen 2.650 N/A GLU 106.A N HIS 102.A O no hydrogen 2.836 N/A GLN 107.A N LEU 104.A O no hydrogen 3.016 N/A GLN 107.A NE2 LYS 103.A O no hydrogen 3.123 N/A GLN 107.A NE2 TYR 196.A OH no hydrogen 2.586 N/A MET 108.A N HIS 105.A O no hydrogen 3.009 N/A TYR 111.A N GLN 107.A O no hydrogen 3.062 N/A TYR 111.A OH GLN 197.A O no hydrogen 2.615 N/A ASN 112.A N MET 108.A O no hydrogen 2.842 N/A ASN 112.A ND2 TYR 81.A O no hydrogen 3.189 N/A ASN 112.A ND2 ILE 116.A O no hydrogen 2.768 N/A ALA 113.A N ALA 109.A O no hydrogen 2.800 N/A LEU 114.A N ASP 110.A O no hydrogen 3.195 N/A LEU 114.A N TYR 111.A O no hydrogen 3.138 N/A GLY 115.A N ASN 112.A O no hydrogen 2.751 N/A ILE 116.A N TYR 111.A O no hydrogen 3.038 N/A THR 117.A N HIS 88.A O no hydrogen 2.754 N/A THR 117.A OG1 GLU 86.A OE1 no hydrogen 2.785 N/A VAL 118.A N TYR 81.A O no hydrogen 3.077 N/A ARG 119.A N ILE 90.A O no hydrogen 2.813 N/A ARG 119.A NE THR 91.A OG1 no hydrogen 3.372 N/A ARG 119.A NH1 GLU 75.A OE2 no hydrogen 2.949 N/A ARG 119.A NH2 THR 91.A OG1 no hydrogen 2.949 N/A TYR 120.A N ILE 79.A O no hydrogen 2.746 N/A TYR 120.A OH HIS 105.A ND1 no hydrogen 2.939 N/A LEU 121.A N VAL 92.A O no hydrogen 2.882 N/A ALA 122.A N HIS 170.A ND1 no hydrogen 3.176 N/A PHE 123.A N THR 94.A O no hydrogen 2.729 N/A ARG 125.A N ASP 95.A OD2 no hydrogen 3.083 N/A ARG 125.A NE ASP 95.A OD2 no hydrogen 2.891 N/A ARG 125.A NH2 THR 97.A OG1 no hydrogen 3.081 N/A GLY 127.A N PRO 124.A O no hydrogen 3.080 N/A SER 130.A OG GLY 127.A O no hydrogen 2.923 N/A GLU 133.A N SER 130.A OG no hydrogen 3.314 N/A LYS 134.A N SER 130.A O no hydrogen 3.315 N/A GLU 135.A N ASP 131.A O no hydrogen 2.814 N/A MET 136.A N ALA 132.A O no hydrogen 2.937 N/A LYS 137.A N GLU 133.A O no hydrogen 2.641 N/A LYS 137.A NZ VAL 165.A O no hydrogen 2.742 N/A ALA 138.A N LYS 134.A O no hydrogen 3.095 N/A ILE 139.A N GLU 135.A O no hydrogen 2.991 N/A TRP 140.A N MET 136.A O no hydrogen 2.913 N/A CYS 141.A N ALA 138.A O no hydrogen 3.004 N/A CYS 141.A SG LYS 137.A O no hydrogen 3.318 N/A ALA 142.A N ILE 139.A O no hydrogen 3.102 N/A LYS 145.A NZ LYS 76.A O no hydrogen 3.104 N/A LYS 145.A NZ MET 78.A O no hydrogen 3.566 N/A ASN 146.A ND2 VAL 80.A O no hydrogen 2.934 N/A ALA 148.A N ASP 144.A O no hydrogen 3.140 N/A PHE 149.A N LYS 145.A O no hydrogen 2.869 N/A ASP 150.A N ASN 146.A O no hydrogen 2.976 N/A ASP 151.A N LYS 147.A O no hydrogen 2.807 N/A VAL 152.A N ALA 148.A O no hydrogen 2.938 N/A MET 153.A N PHE 149.A O no hydrogen 3.003 N/A ALA 154.A N ASP 150.A O no hydrogen 2.977 N/A ALA 154.A N ASP 151.A O no hydrogen 3.008 N/A GLY 155.A N VAL 152.A O no hydrogen 3.195 N/A LYS 156.A N ASP 151.A O no hydrogen 2.989 N/A LYS 156.A NZ ASP 151.A OD1 no hydrogen 3.071 N/A ALA 168.A N ASP 166.A OD1 no hydrogen 3.319 N/A ASP 169.A N ASP 166.A O no hydrogen 3.108 N/A HIS 170.A NE2 GLU 77.A OE1 no hydrogen 2.719 N/A TYR 171.A N ILE 167.A O no hydrogen 2.932 N/A ALA 172.A N ALA 168.A O no hydrogen 2.868 N/A LEU 173.A N ASP 169.A O no hydrogen 3.175 N/A GLY 174.A N HIS 170.A O no hydrogen 3.073 N/A VAL 175.A N TYR 171.A O no hydrogen 2.943 N/A GLN 176.A N ALA 172.A O no hydrogen 2.808 N/A GLN 176.A NE2 THR 32.A O no hydrogen 2.596 N/A LEU 177.A N LEU 173.A O no hydrogen 2.876 N/A LEU 177.A N GLY 174.A O no hydrogen 2.895 N/A GLY 178.A N VAL 175.A O no hydrogen 3.016 N/A VAL 179.A N GLY 174.A O no hydrogen 2.896 N/A ALA 184.A N PHE 93.A O no hydrogen 2.980 N/A VAL 186.A N THR 91.A O no hydrogen 2.739 N/A LEU 187.A N THR 191.A O no hydrogen 2.639 N/A GLY 190.A N LEU 187.A O no hydrogen 2.844 N/A THR 191.A N ASN 189.A OD1 no hydrogen 3.130 N/A THR 191.A OG1 ASN 189.A OD1 no hydrogen 2.895 N/A VAL 193.A N VAL 185.A O no hydrogen 2.675 N/A LYS 200.A NZ GLU 204.A OE2 no hydrogen 2.732 N/A MET 202.A N PRO 198.A O no hydrogen 2.840 N/A LYS 203.A N PRO 199.A O no hydrogen 2.914 N/A LYS 203.A NZ ASP 207.A OD2 no hydrogen 2.937 N/A GLU 204.A N LYS 200.A O no hydrogen 3.128 N/A PHE 205.A N GLU 201.A O no hydrogen 2.853 N/A LEU 206.A N MET 202.A O no hydrogen 3.012 N/A ASP 207.A N LYS 203.A O no hydrogen 2.914 N/A GLU 208.A N GLU 204.A O no hydrogen 3.074 N/A HIS 209.A N PHE 205.A O no hydrogen 2.750 N/A GLN 210.A N LEU 206.A O no hydrogen 2.866 N/A LYS 211.A N ASP 207.A O no hydrogen 2.992 N/A LYS 211.A NZ GLU 208.A OE2 no hydrogen 3.545 N/A MET 212.A N GLU 208.A O no hydrogen 2.941 N/A THR 213.A N HIS 209.A O no hydrogen 3.011 N/A THR 213.A OG1 HIS 209.A O no hydrogen 2.593 N/A SER 214.A OG GLN 210.A O no hydrogen 3.238 N/A SER 214.A OG LYS 211.A O no hydrogen 2.766 N/A