Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N VAL 273.A O no hydrogen 3.480 N/A GLY 1.A N VAL 273.A OXT no hydrogen 2.744 N/A GLY 2.A N GLY 250.A O no hydrogen 3.128 N/A ALA 4.A N VAL 252.A O no hydrogen 2.735 N/A ILE 5.A N TYR 27.A O no hydrogen 2.913 N/A TYR 6.A N LEU 254.A O no hydrogen 3.310 N/A TYR 6.A OH ASP 123.A OD2 no hydrogen 2.684 N/A TRP 7.A N ASN 29.A O no hydrogen 2.992 N/A TRP 7.A NE1 GLY 14.A O no hydrogen 2.764 N/A GLY 8.A N GLU 13.A OE2 no hydrogen 2.794 N/A GLN 9.A NE2 ALA 31.A O no hydrogen 2.940 N/A GLN 9.A NE2 ASN 45.A O no hydrogen 2.862 N/A GLN 9.A NE2 ASN 45.A OD1 no hydrogen 3.118 N/A ASN 10.A N GLU 13.A OE2 no hydrogen 3.223 N/A ASN 12.A N ASN 10.A OD1 no hydrogen 2.853 N/A ASN 12.A ND2 ASN 10.A OD1 no hydrogen 3.228 N/A GLU 13.A N ASN 10.A O no hydrogen 2.995 N/A GLN 18.A N THR 15.A OG1 no hydrogen 3.117 N/A THR 19.A N THR 15.A O no hydrogen 2.985 N/A THR 19.A OG1 THR 15.A O no hydrogen 2.823 N/A CYS 20.A N LEU 16.A O no hydrogen 3.066 N/A CYS 20.A SG LEU 16.A O no hydrogen 3.651 N/A SER 21.A N THR 17.A O no hydrogen 2.992 N/A SER 21.A OG THR 17.A O no hydrogen 3.194 N/A SER 21.A OG GLN 18.A O no hydrogen 2.846 N/A THR 22.A OG1 THR 19.A O no hydrogen 2.878 N/A ARG 23.A N CYS 20.A O no hydrogen 3.280 N/A LYS 24.A N THR 22.A OG1 no hydrogen 3.236 N/A LYS 24.A NZ SER 266.A OG no hydrogen 3.107 N/A LYS 24.A NZ SER 267.A OG no hydrogen 3.342 N/A TYR 25.A OH ASP 260.A OD2 no hydrogen 2.675 N/A SER 26.A N ILE 3.A O no hydrogen 2.832 N/A TYR 27.A N ILE 3.A O no hydrogen 3.352 N/A VAL 28.A N LYS 73.A O no hydrogen 3.045 N/A ASN 29.A N ILE 5.A O no hydrogen 2.908 N/A ILE 30.A N MET 75.A O no hydrogen 2.821 N/A ALA 31.A N TRP 7.A O no hydrogen 2.907 N/A PHE 32.A N ASN 45.A O no hydrogen 2.882 N/A LEU 33.A N SER 77.A O no hydrogen 2.926 N/A ASN 34.A ND2 ILE 82.A O no hydrogen 3.548 N/A LYS 35.A NZ THR 41.A O no hydrogen 2.737 N/A ASN 38.A N ASP 92.A OD2 no hydrogen 2.627 N/A GLN 40.A N GLY 37.A O no hydrogen 3.173 N/A GLN 40.A NE2 GLY 37.A O no hydrogen 2.930 N/A GLN 40.A NE2 SER 84.A O no hydrogen 2.921 N/A GLN 43.A N LYS 35.A O no hydrogen 2.970 N/A ASN 45.A N PHE 32.A O no hydrogen 2.781 N/A ALA 47.A N ASN 45.A OD1 no hydrogen 2.894 N/A HIS 49.A N LEU 46.A O no hydrogen 2.933 N/A HIS 49.A NE2 GLU 13.A OE2 no hydrogen 2.758 N/A GLY 56.A N ALA 53.A O no hydrogen 3.379 N/A THR 58.A N GLY 55.A O no hydrogen 3.376 N/A THR 58.A OG1 GLY 55.A O no hydrogen 2.977 N/A VAL 60.A N CYS 57.A O no hydrogen 3.034 N/A SER 61.A N THR 58.A O no hydrogen 3.218 N/A SER 61.A OG LEU 114.A O no hydrogen 2.613 N/A ASN 62.A N ILE 59.A O no hydrogen 3.129 N/A ILE 64.A N VAL 60.A O no hydrogen 2.973 N/A ARG 65.A N SER 61.A O no hydrogen 2.949 N/A ARG 65.A NH2 ASN 62.A OD1 no hydrogen 3.291 N/A SER 66.A N ASN 62.A O no hydrogen 2.937 N/A CYS 67.A N GLY 63.A O no hydrogen 2.814 N/A CYS 67.A SG LEU 16.A O no hydrogen 3.749 N/A CYS 67.A SG GLY 63.A O no hydrogen 3.003 N/A GLN 68.A N ILE 64.A O no hydrogen 3.003 N/A GLN 68.A NE2 VAL 118.A O no hydrogen 2.914 N/A GLN 68.A NE2 ASP 120.A OD1 no hydrogen 3.565 N/A GLN 68.A NE2 ASP 120.A OD2 no hydrogen 3.117 N/A ILE 69.A N ARG 65.A O no hydrogen 2.972 N/A GLN 70.A N CYS 67.A O no hydrogen 2.856 N/A GLN 70.A NE2 CYS 20.A O no hydrogen 3.191 N/A GLY 71.A N GLN 68.A O no hydrogen 2.850 N/A ILE 72.A N CYS 67.A O no hydrogen 3.130 N/A LYS 73.A N SER 26.A O no hydrogen 3.408 N/A LYS 73.A NZ TYR 152.A OH no hydrogen 3.083 N/A VAL 74.A N ASP 120.A OD2 no hydrogen 2.669 N/A MET 75.A N VAL 28.A O no hydrogen 2.973 N/A LEU 76.A N GLY 121.A O no hydrogen 3.135 N/A SER 77.A N ILE 30.A O no hydrogen 2.854 N/A SER 77.A OG ASP 123.A OD2 no hydrogen 2.898 N/A LEU 78.A N ASP 123.A O no hydrogen 2.659 N/A GLY 79.A N LEU 33.A O no hydrogen 3.188 N/A GLY 80.A N ALA 125.A O no hydrogen 2.852 N/A SER 84.A OG GLN 40.A OE1 no hydrogen 2.758 N/A TYR 85.A OH GLY 80.A O no hydrogen 2.731 N/A THR 86.A N PHE 36.A O no hydrogen 2.948 N/A ALA 88.A N ASP 92.A OD2 no hydrogen 2.820 N/A GLN 90.A NE2 ASP 136.A OD1 no hydrogen 2.756 N/A ASP 92.A N SER 89.A OG no hydrogen 3.142 N/A ALA 93.A N SER 89.A O no hydrogen 3.117 N/A LYS 94.A N GLN 90.A O no hydrogen 3.105 N/A LYS 94.A NZ ASP 98.A OD2 no hydrogen 3.161 N/A ASN 95.A N ALA 91.A O no hydrogen 2.925 N/A VAL 96.A N ASP 92.A O no hydrogen 2.900 N/A ALA 97.A N ALA 93.A O no hydrogen 2.945 N/A ASP 98.A N LYS 94.A O no hydrogen 2.953 N/A TYR 99.A N ASN 95.A O no hydrogen 2.952 N/A LEU 100.A N VAL 96.A O no hydrogen 2.863 N/A TRP 101.A N ALA 97.A O no hydrogen 2.960 N/A ASN 102.A N ASP 98.A O no hydrogen 3.067 N/A ASN 103.A N TYR 99.A O no hydrogen 2.902 N/A ASN 103.A ND2 TYR 99.A O no hydrogen 2.963 N/A PHE 104.A N LEU 100.A O no hydrogen 2.852 N/A LEU 105.A N TRP 101.A O no hydrogen 3.177 N/A GLY 107.A N TRP 101.A O no hydrogen 2.684 N/A LYS 108.A N ASN 102.A OD1 no hydrogen 3.172 N/A SER 109.A OG ASN 103.A OD1 no hydrogen 2.690 N/A SER 111.A N SER 109.A OG no hydrogen 3.185 N/A ARG 112.A NE GLY 115.A O no hydrogen 2.790 N/A ARG 112.A NH1 LEU 105.A O no hydrogen 3.344 N/A ARG 112.A NH2 LEU 105.A O no hydrogen 3.010 N/A ARG 112.A NH2 ALA 117.A O no hydrogen 3.046 N/A GLY 115.A N ARG 112.A O no hydrogen 3.120 N/A ALA 117.A N SER 61.A OG no hydrogen 3.157 N/A LEU 119.A N PHE 104.A O no hydrogen 3.010 N/A ASP 120.A N VAL 74.A O no hydrogen 2.856 N/A ILE 122.A N TYR 152.A O no hydrogen 2.886 N/A ASP 123.A N LEU 76.A O no hydrogen 2.791 N/A PHE 124.A N THR 154.A O no hydrogen 2.746 N/A ALA 125.A N LEU 78.A O no hydrogen 2.817 N/A ALA 127.A N TYR 85.A OH no hydrogen 3.044 N/A HIS 128.A NE2 GLY 83.A O no hydrogen 2.822 N/A SER 130.A OG LEU 87.A O no hydrogen 3.186 N/A SER 130.A OG LEU 132.A O no hydrogen 2.964 N/A LEU 132.A N SER 130.A OG no hydrogen 3.222 N/A TRP 134.A NE1 SER 130.A O no hydrogen 2.574 N/A ASP 135.A N ASP 135.A OD1 no hydrogen 2.616 N/A LEU 137.A N TYR 133.A O no hydrogen 3.081 N/A ALA 138.A N TRP 134.A O no hydrogen 3.174 N/A ARG 139.A N ASP 135.A O no hydrogen 3.040 N/A ARG 139.A NH2 ASP 135.A OD2 no hydrogen 2.834 N/A ARG 139.A NH2 ASP 136.A OD1 no hydrogen 3.168 N/A TYR 140.A N ASP 136.A O no hydrogen 2.877 N/A LEU 141.A N LEU 137.A O no hydrogen 2.922 N/A SER 142.A N ALA 138.A O no hydrogen 2.873 N/A ALA 143.A N ARG 139.A O no hydrogen 3.002 N/A TYR 144.A N LEU 141.A O no hydrogen 3.129 N/A TYR 144.A OH ASP 98.A OD1 no hydrogen 2.482 N/A SER 145.A N SER 142.A O no hydrogen 2.996 N/A SER 145.A OG SER 142.A O no hydrogen 3.266 N/A LYS 146.A N ALA 143.A O no hydrogen 3.390 N/A GLN 147.A N TYR 144.A O no hydrogen 3.195 N/A GLY 148.A N SER 145.A O no hydrogen 3.160 N/A LYS 150.A NZ ASP 176.A OD1 no hydrogen 2.930 N/A VAL 151.A N SER 145.A OG no hydrogen 2.762 N/A TYR 152.A N ASP 120.A O no hydrogen 2.803 N/A LEU 153.A N ASP 176.A OD2 no hydrogen 2.883 N/A THR 154.A N ILE 122.A O no hydrogen 3.019 N/A THR 154.A OG1 ILE 122.A O no hydrogen 3.564 N/A THR 154.A OG1 ASP 123.A OD1 no hydrogen 2.672 N/A ALA 155.A N TYR 177.A O no hydrogen 3.023 N/A ALA 156.A N PHE 124.A O no hydrogen 2.851 N/A GLN 158.A N ASP 163.A OD2 no hydrogen 2.766 N/A CYS 159.A N GLN 181.A O no hydrogen 3.066 N/A CYS 159.A SG ASN 185.A O no hydrogen 4.025 N/A TYR 165.A N ASP 163.A OD1 no hydrogen 2.753 N/A LEU 166.A N ASP 163.A OD1 no hydrogen 2.717 N/A GLY 167.A N ASP 163.A O no hydrogen 2.861 N/A LEU 170.A N LEU 166.A O no hydrogen 2.919 N/A ASN 171.A N GLY 167.A O no hydrogen 3.074 N/A ASN 171.A N THR 168.A O no hydrogen 3.115 N/A THR 172.A N ALA 169.A O no hydrogen 3.346 N/A THR 172.A OG1 ALA 169.A O no hydrogen 2.641 N/A GLY 173.A N LEU 170.A O no hydrogen 3.245 N/A LEU 174.A N THR 172.A OG1 no hydrogen 3.218 N/A ASP 176.A N LEU 153.A O no hydrogen 2.758 N/A TYR 177.A N LEU 153.A O no hydrogen 3.499 N/A VAL 178.A N LYS 213.A O no hydrogen 2.975 N/A TRP 179.A N ALA 155.A O no hydrogen 2.876 N/A TRP 179.A NE1 ASP 123.A OD1 no hydrogen 2.934 N/A VAL 180.A N PHE 215.A O no hydrogen 3.253 N/A GLN 181.A N PRO 157.A O no hydrogen 2.851 N/A GLN 181.A NE2 ALA 156.A O no hydrogen 2.621 N/A PHE 182.A N GLY 217.A O no hydrogen 2.978 N/A ASN 184.A N SER 227.A O no hydrogen 2.976 N/A ASN 185.A N GLN 189.A OE1 no hydrogen 2.780 N/A ASN 185.A ND2 TYR 183.A O no hydrogen 3.051 N/A CYS 188.A N ASN 185.A O no hydrogen 3.139 N/A CYS 188.A SG ASN 185.A O no hydrogen 3.949 N/A GLN 189.A NE2 SER 227.A OG no hydrogen 2.956 N/A SER 191.A N ASN 194.A O no hydrogen 3.177 N/A GLY 193.A N TYR 190.A OH no hydrogen 3.017 N/A ASN 194.A N SER 191.A O no hydrogen 2.552 N/A ASN 196.A N ASN 194.A OD1 no hydrogen 2.980 N/A ASN 196.A ND2 ASN 194.A OD1 no hydrogen 2.570 N/A ASN 197.A ND2 PRO 187.A O no hydrogen 2.725 N/A ILE 199.A N ILE 195.A O no hydrogen 3.064 N/A ASN 200.A N ASN 196.A O no hydrogen 2.896 N/A SER 201.A N ASN 197.A O no hydrogen 3.109 N/A SER 201.A OG CYS 159.A O no hydrogen 3.208 N/A TRP 202.A N ILE 198.A O no hydrogen 2.841 N/A ASN 203.A N ILE 199.A O no hydrogen 2.939 N/A ARG 204.A N ASN 200.A O no hydrogen 3.326 N/A TRP 205.A N SER 201.A O no hydrogen 3.089 N/A TRP 205.A NE1 CYS 159.A O no hydrogen 2.738 N/A THR 206.A N TRP 202.A O no hydrogen 3.054 N/A THR 206.A OG1 TRP 202.A O no hydrogen 2.806 N/A THR 206.A OG1 ASN 203.A O no hydrogen 3.469 N/A THR 207.A OG1 ASN 203.A O no hydrogen 2.628 N/A SER 208.A OG ARG 204.A O no hydrogen 2.818 N/A SER 208.A OG TRP 205.A O no hydrogen 3.396 N/A ILE 209.A N SER 208.A OG no hydrogen 2.578 N/A GLY 212.A N PHE 175.A O no hydrogen 3.180 N/A LYS 213.A N ASP 176.A O no hydrogen 2.853 N/A ILE 214.A N LYS 248.A O no hydrogen 2.789 N/A PHE 215.A N VAL 178.A O no hydrogen 2.766 N/A LEU 216.A N GLY 251.A O no hydrogen 2.992 N/A GLY 217.A N VAL 180.A O no hydrogen 2.729 N/A LEU 218.A N MET 253.A O no hydrogen 2.873 N/A ALA 220.A N TRP 255.A O no hydrogen 2.843 N/A ALA 224.A N ALA 221.A O no hydrogen 2.940 N/A GLY 226.A N ASN 184.A OD1 no hydrogen 3.155 N/A LEU 235.A N PRO 231.A O no hydrogen 3.106 N/A ILE 236.A N PRO 232.A O no hydrogen 2.940 N/A SER 237.A N ASP 233.A O no hydrogen 2.901 N/A SER 237.A OG ASP 233.A O no hydrogen 2.781 N/A ARG 238.A N VAL 234.A O no hydrogen 2.855 N/A ARG 238.A NH2 GLY 193.A O no hydrogen 3.224 N/A ILE 239.A N VAL 234.A O no hydrogen 3.351 N/A LEU 240.A N LEU 235.A O no hydrogen 2.769 N/A GLU 242.A N ILE 239.A O no hydrogen 3.096 N/A ILE 243.A N ILE 239.A O no hydrogen 3.150 N/A LYS 244.A N LEU 240.A O no hydrogen 3.123 N/A LYS 244.A NZ SER 272.A O no hydrogen 3.380 N/A LYS 245.A N GLU 242.A O no hydrogen 3.060 N/A LYS 245.A NZ GLU 242.A OE1 no hydrogen 3.086 N/A SER 246.A N ILE 243.A O no hydrogen 3.284 N/A LYS 248.A N SER 246.A OG no hydrogen 3.392 N/A LYS 248.A NZ THR 206.A O no hydrogen 3.238 N/A LYS 248.A NZ ILE 209.A O no hydrogen 3.312 N/A TYR 249.A N SER 246.A O no hydrogen 3.108 N/A TYR 249.A OH VAL 273.A OXT no hydrogen 2.686 N/A GLY 250.A N ILE 214.A O no hydrogen 2.750 N/A VAL 252.A N GLY 2.A O no hydrogen 3.055 N/A MET 253.A N LEU 216.A O no hydrogen 2.952 N/A LEU 254.A N ALA 4.A O no hydrogen 2.774 N/A TRP 255.A N LEU 218.A O no hydrogen 3.161 N/A LYS 257.A N TYR 6.A O no hydrogen 3.103 N/A LYS 257.A NZ GLU 13.A O no hydrogen 2.976 N/A LYS 257.A NZ ASP 261.A OD1 no hydrogen 3.166 N/A LYS 257.A NZ ASP 261.A OD2 no hydrogen 2.673 N/A PHE 258.A N GLU 13.A OE1 no hydrogen 3.176 N/A ASP 260.A N SER 256.A O no hydrogen 2.786 N/A ASP 261.A N LYS 257.A O no hydrogen 3.055 N/A LYS 262.A N PHE 258.A O no hydrogen 3.418 N/A ASN 263.A N TYR 259.A O no hydrogen 3.183 N/A ASN 263.A ND2 ALA 220.A O no hydrogen 2.832 N/A ASN 263.A ND2 TYR 229.A OH no hydrogen 2.977 N/A GLY 264.A N ASP 260.A O no hydrogen 2.642 N/A TYR 265.A N ASP 260.A O no hydrogen 3.396 N/A TYR 265.A OH VAL 230.A O no hydrogen 2.571 N/A SER 266.A N ASP 260.A OD1 no hydrogen 2.815 N/A SER 266.A OG ASP 260.A OD1 no hydrogen 3.171 N/A SER 266.A OG ASP 260.A OD2 no hydrogen 2.593 N/A SER 268.A N TYR 265.A O no hydrogen 2.924 N/A SER 268.A OG GLY 264.A O no hydrogen 3.190 N/A ILE 269.A N TYR 265.A O no hydrogen 3.004 N/A LEU 270.A N SER 266.A O no hydrogen 2.773 N/A SER 272.A N ILE 269.A O no hydrogen 2.746 N/A VAL 273.A N ILE 269.A O no hydrogen 3.265 N/A VAL 273.A N LEU 270.A O no hydrogen 3.090 N/A