Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLU 1.A O no hydrogen 2.603 N/A ILE 9.A N THR 5.A O no hydrogen 3.051 N/A ALA 10.A N PRO 6.A O no hydrogen 2.960 N/A VAL 11.A N LEU 7.A O no hydrogen 3.123 N/A VAL 12.A N HIS 8.A O no hydrogen 3.153 N/A GLN 13.A N ILE 9.A O no hydrogen 2.955 N/A GLY 14.A N VAL 11.A O no hydrogen 2.981 N/A ASN 15.A N ALA 10.A O no hydrogen 3.096 N/A ALA 18.A N ASN 15.A OD1 no hydrogen 3.176 N/A VAL 19.A N ASN 15.A O no hydrogen 3.095 N/A HIS 20.A N LEU 16.A O no hydrogen 2.948 N/A ARG 21.A N PRO 17.A O no hydrogen 3.044 N/A LEU 22.A N ALA 18.A O no hydrogen 2.889 N/A VAL 23.A N VAL 19.A O no hydrogen 2.789 N/A ASN 24.A N HIS 20.A O no hydrogen 3.027 N/A LEU 25.A N ARG 21.A O no hydrogen 3.009 N/A PHE 26.A N LEU 22.A O no hydrogen 2.864 N/A GLN 27.A N VAL 23.A O no hydrogen 3.052 N/A GLN 28.A N ASN 24.A O no hydrogen 3.135 N/A GLY 29.A N PHE 26.A O no hydrogen 3.125 N/A GLY 30.A N GLN 27.A O no hydrogen 3.448 N/A ARG 31.A N PHE 26.A O no hydrogen 2.927 N/A TYR 36.A OH LEU 69.A O no hydrogen 2.837 N/A ASN 37.A N GLN 41.A O no hydrogen 3.098 N/A ASN 37.A ND2 GLN 41.A OE1 no hydrogen 2.972 N/A LEU 39.A N ASN 37.A OD1 no hydrogen 2.861 N/A ARG 40.A N ASN 37.A O no hydrogen 3.092 N/A GLN 41.A N ASN 37.A OD1 no hydrogen 3.008 N/A HIS 45.A N THR 42.A OG1 no hydrogen 3.272 N/A LEU 46.A N THR 42.A O no hydrogen 3.174 N/A ALA 47.A N PRO 43.A O no hydrogen 2.912 N/A VAL 48.A N LEU 44.A O no hydrogen 3.110 N/A ILE 49.A N HIS 45.A O no hydrogen 2.953 N/A THR 50.A N LEU 46.A O no hydrogen 2.818 N/A THR 50.A OG1 LEU 46.A O no hydrogen 2.734 N/A THR 51.A N VAL 48.A O no hydrogen 3.040 N/A THR 51.A OG1 THR 50.A O no hydrogen 2.432 N/A LEU 52.A N ALA 47.A O no hydrogen 2.927 N/A VAL 56.A N LEU 52.A O no hydrogen 3.031 N/A ARG 57.A N PRO 53.A O no hydrogen 3.030 N/A LEU 58.A N SER 54.A O no hydrogen 3.198 N/A LEU 59.A N VAL 55.A O no hydrogen 2.938 N/A VAL 60.A N VAL 56.A O no hydrogen 2.942 N/A THR 61.A N ARG 57.A O no hydrogen 3.001 N/A THR 61.A OG1 ARG 57.A O no hydrogen 2.659 N/A THR 61.A OG1 LEU 58.A O no hydrogen 2.912 N/A ALA 62.A N LEU 58.A O no hydrogen 2.999 N/A GLY 63.A N VAL 60.A O no hydrogen 3.023 N/A ALA 64.A N LEU 59.A O no hydrogen 3.012 N/A SER 65.A N ASP 34.A OD2 no hydrogen 2.694 N/A MET 67.A N SER 65.A OG no hydrogen 3.060 N/A ALA 68.A N SER 65.A O no hydrogen 3.425 N/A ASP 70.A N GLN 74.A O no hydrogen 3.016 N/A HIS 72.A N ASP 70.A OD1 no hydrogen 2.853 N/A GLY 73.A N ASP 70.A O no hydrogen 2.912 N/A GLN 74.A N ASP 70.A OD1 no hydrogen 2.823 N/A ALA 76.A N PRO 66.A O no hydrogen 3.397 N/A HIS 78.A N THR 75.A OG1 no hydrogen 3.401 N/A LEU 79.A N THR 75.A O no hydrogen 3.112 N/A ALA 80.A N ALA 76.A O no hydrogen 2.950 N/A CYS 81.A N ALA 77.A O no hydrogen 3.132 N/A CYS 81.A SG ALA 77.A O no hydrogen 3.458 N/A CYS 81.A SG ALA 113.A O no hydrogen 3.854 N/A GLU 82.A N HIS 78.A O no hydrogen 2.964 N/A HIS 83.A N LEU 79.A O no hydrogen 3.050 N/A ARG 84.A N CYS 81.A O no hydrogen 3.079 N/A SER 85.A N ALA 80.A O no hydrogen 2.968 N/A CYS 88.A N SER 85.A OG no hydrogen 3.384 N/A CYS 88.A SG SER 85.A OG no hydrogen 3.462 N/A LEU 89.A N SER 85.A O no hydrogen 3.075 N/A ARG 90.A N PRO 86.A O no hydrogen 2.886 N/A ALA 91.A N THR 87.A O no hydrogen 2.910 N/A LEU 92.A N CYS 88.A O no hydrogen 2.969 N/A LEU 93.A N LEU 89.A O no hydrogen 2.979 N/A ASP 94.A N ARG 90.A O no hydrogen 2.953 N/A SER 95.A N ALA 91.A O no hydrogen 3.046 N/A SER 95.A N LEU 92.A O no hydrogen 3.262 N/A SER 95.A OG ALA 91.A O no hydrogen 2.656 N/A ALA 96.A N LEU 92.A O no hydrogen 3.034 N/A THR 100.A N ALA 97.A O no hydrogen 3.129 N/A THR 100.A OG1 ALA 97.A O no hydrogen 2.773 N/A GLU 104.A N ASP 102.A OD1 no hydrogen 3.001 N/A ALA 105.A N ASP 102.A O no hydrogen 3.255 N/A ARG 106.A NE GLU 104.A O no hydrogen 2.950 N/A ARG 106.A NH1 VAL 139.A O no hydrogen 3.212 N/A ASN 107.A N LEU 111.A O no hydrogen 3.009 N/A TYR 108.A N HIS 72.A O no hydrogen 3.176 N/A GLY 110.A N ASN 107.A O no hydrogen 2.671 N/A GLY 110.A N ASN 107.A OD1 no hydrogen 2.919 N/A LEU 111.A N ASN 107.A OD1 no hydrogen 2.942 N/A HIS 115.A N THR 112.A OG1 no hydrogen 3.200 N/A VAL 116.A N THR 112.A O no hydrogen 3.238 N/A ALA 117.A N ALA 113.A O no hydrogen 2.860 N/A VAL 118.A N LEU 114.A O no hydrogen 2.923 N/A ASN 119.A N HIS 115.A O no hydrogen 3.032 N/A THR 120.A N VAL 116.A O no hydrogen 3.094 N/A THR 120.A OG1 ALA 117.A O no hydrogen 2.728 N/A GLU 121.A N VAL 118.A O no hydrogen 2.794 N/A CYS 122.A N THR 120.A OG1 no hydrogen 3.204 N/A CYS 122.A SG GLU 124.A OE1 no hydrogen 3.505 N/A CYS 122.A SG THR 125.A OG1 no hydrogen 3.541 N/A THR 125.A OG1 CYS 122.A O no hydrogen 3.179 N/A VAL 126.A N CYS 122.A O no hydrogen 3.257 N/A GLN 127.A N GLN 123.A O no hydrogen 3.002 N/A GLN 127.A NE2.A GLU 131.A OE2 no hydrogen 3.177 N/A GLN 127.A NE2.B GLU 131.A OE2 no hydrogen 3.384 N/A LEU 128.A N GLU 124.A O no hydrogen 3.176 N/A LEU 129.A N THR 125.A O no hydrogen 2.983 N/A LEU 130.A N VAL 126.A O no hydrogen 3.052 N/A GLU 131.A N GLN 127.A O no hydrogen 2.943 N/A ARG 132.A N LEU 128.A O no hydrogen 3.025 N/A ARG 132.A N LEU 129.A O no hydrogen 3.152 N/A ARG 132.A NH1 ASP 94.A OD1 no hydrogen 2.974 N/A ARG 132.A NH2 ASP 94.A OD1 no hydrogen 3.264 N/A ALA 134.A N LEU 129.A O no hydrogen 3.100 N/A ASP 135.A N GLU 104.A OE1 no hydrogen 2.807 N/A ASP 137.A N ASP 135.A OD1 no hydrogen 3.124 N/A ALA 138.A N ASP 135.A O no hydrogen 3.312 N/A SER 143.A N ASP 140.A OD2 no hydrogen 3.449 N/A SER 143.A OG ASP 140.A OD2 no hydrogen 2.927 N/A GLY 144.A N ASP 140.A O no hydrogen 3.029 N/A HIS 150.A N SER 146.A O no hydrogen 3.185 N/A HIS 150.A NE2 ASP 140.A OD1 no hydrogen 3.288 N/A ALA 151.A N PRO 147.A O no hydrogen 2.883 N/A VAL 152.A N LEU 148.A O no hydrogen 2.958 N/A GLU 153.A N ILE 149.A O no hydrogen 2.914 N/A ASN 154.A N HIS 150.A O no hydrogen 3.002 N/A ASN 154.A ND2 ASN 119.A OD1 no hydrogen 3.172 N/A ASN 155.A N VAL 152.A O no hydrogen 3.029 N/A SER 156.A N ALA 151.A O no hydrogen 3.184 N/A MET 159.A N SER 156.A OG no hydrogen 3.319 N/A VAL 160.A N SER 156.A O no hydrogen 3.036 N/A GLN 161.A N LEU 157.A O no hydrogen 2.890 N/A LEU 162.A N SER 158.A O no hydrogen 2.851 N/A LEU 163.A N MET 159.A O no hydrogen 2.883 N/A LEU 164.A N VAL 160.A O no hydrogen 3.127 N/A GLN 165.A N GLN 161.A O no hydrogen 3.055 N/A HIS 166.A N LEU 162.A O no hydrogen 3.249 N/A HIS 166.A N LEU 163.A O no hydrogen 3.032 N/A HIS 166.A NE2 GLN 127.A OE1.B no hydrogen 2.870 N/A GLY 167.A N LEU 164.A O no hydrogen 3.186 N/A ALA 168.A N LEU 163.A O no hydrogen 3.190 N/A ASN 169.A N ASP 137.A OD1 no hydrogen 3.013 N/A ASN 171.A N ASN 169.A OD1 no hydrogen 2.957 N/A ASN 171.A ND2 GLY 200.A O no hydrogen 3.608 N/A ALA 172.A N ASN 169.A O no hydrogen 3.372 N/A MET 174.A N SER 178.A O no hydrogen 2.884 N/A TYR 175.A OH ILE 141.A O no hydrogen 2.717 N/A GLY 177.A N MET 174.A O no hydrogen 2.726 N/A SER 183.A N SER 179.A O no hydrogen 3.394 N/A ALA 184.A N ALA 180.A O no hydrogen 3.052 N/A SER 185.A N LEU 181.A O no hydrogen 2.832 N/A SER 185.A OG PRO 213.A O no hydrogen 2.712 N/A GLY 186.A N HIS 182.A O no hydrogen 2.859 N/A ARG 187.A N SER 183.A O no hydrogen 3.150 N/A ARG 187.A NH1 GLU 153.A O no hydrogen 2.738 N/A ARG 187.A NH2 GLU 153.A O no hydrogen 3.407 N/A GLY 188.A N SER 185.A O no hydrogen 3.280 N/A LEU 189.A N ALA 184.A O no hydrogen 3.011 N/A LEU 190.A N GLY 188.A O no hydrogen 2.937 N/A VAL 193.A N LEU 189.A O no hydrogen 2.956 N/A ARG 194.A N LEU 190.A O no hydrogen 2.960 N/A THR 195.A N PRO 191.A O no hydrogen 3.096 N/A THR 195.A OG1 PRO 191.A O no hydrogen 3.356 N/A LEU 196.A N LEU 192.A O no hydrogen 2.907 N/A VAL 197.A N VAL 193.A O no hydrogen 3.010 N/A ARG 198.A N ARG 194.A O no hydrogen 3.147 N/A SER 199.A N THR 195.A O no hydrogen 3.093 N/A SER 199.A N LEU 196.A O no hydrogen 3.139 N/A SER 199.A OG THR 195.A O no hydrogen 2.945 N/A GLY 200.A N VAL 197.A O no hydrogen 3.091 N/A ALA 201.A N LEU 196.A O no hydrogen 2.877 N/A ASP 202.A N ASN 171.A OD1 no hydrogen 2.803 N/A SER 204.A N ASP 202.A OD1 no hydrogen 2.794 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 2.771 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 3.535 N/A LYS 206.A NZ ASN 210.A O no hydrogen 2.724 N/A ASN 207.A N ASP 211.A O no hydrogen 2.922 N/A ASN 207.A ND2 SER 178.A OG no hydrogen 3.109 N/A CYS 208.A N SER 176.A O no hydrogen 2.812 N/A CYS 208.A SG SER 176.A O no hydrogen 3.194 N/A HIS 209.A N ASN 207.A OD1 no hydrogen 2.907 N/A HIS 209.A ND1 ASP 211.A OD2 no hydrogen 3.133 N/A ASN 210.A N ASN 207.A O no hydrogen 2.804 N/A ASP 211.A N ASN 207.A OD1 no hydrogen 2.949 N/A MET 215.A N THR 212.A OG1 no hydrogen 3.310 N/A VAL 216.A N THR 212.A O no hydrogen 3.221 N/A ALA 217.A N LEU 214.A O no hydrogen 3.232 N/A ARG 218.A N SER 185.A O no hydrogen 3.116 N/A ARG 218.A NH1 ARG 187.A O no hydrogen 3.516 N/A VAL 222.A N SER 219.A O no hydrogen 3.201 N/A ILE 223.A N SER 219.A O no hydrogen 3.280 N/A ASP 224.A N ARG 220.A O no hydrogen 3.007 N/A ILE 225.A N ARG 221.A O no hydrogen 3.240 N/A LEU 226.A N VAL 222.A O no hydrogen 2.925 N/A ARG 227.A N ILE 223.A O no hydrogen 2.959 N/A GLY 228.A N ILE 225.A O no hydrogen 3.125 N/A