| 1 | M | 41.3 | Very low | 47.7 | Very low | 254 Ų | 254 | 164.9 Ų | 164.9 | 100% | 1.251 | 85% | 0.845 | S | S | * | * | | | | 0 | 131.6 | 0 | -67.5 | -175.4 | -169.8 | 0 | 0 | 107.8 | | |
| 2 | E | 43.1 | Very low | 48.1 | Very low | 155 Ų | 155 | 163.3 Ų | 163.3 | 72% | 0.724 | 84% | 0.839 | S | S | * | * | | | trans | -98.5 | 140 | -163.2 | -173.7 | 175.7 | -176.4 | 0 | 0 | 111.5 | | |
| 3 | K | 45.6 | Very low | 48.5 | Very low | 180 Ų | 180 | 158.8 Ų | 158.8 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | | | trans | 40.1 | 125.7 | 153.6 | -63 | 168.9 | -171 | 153.1 | 0 | 120.8 | | |
| 4 | G | 37.3 | Very low | 49.2 | Very low | 82 Ų | 82 | 160 Ų | 160 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | | | | 112.3 | 107.4 | 119 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 5 | A | 51.7 | Low | 49.4 | Very low | 88 Ų | 88 | 161.8 Ų | 161.8 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | -160.5 | 81.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R7 | A5-R7 PolarHBondContact O-N 2.89Š|
| 6 | H | 47.6 | Very low | 49.6 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116.5 | 155 | -100.8 | -88.9 | 0 | 0 | 0 | 106.5 | | |
| 7 | R | 55.2 | Low | 50.1 | Low | 232 Ų | 232 | 164.3 Ų | 164.3 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 129.2 | 166.9 | -77 | -174.6 | 177.5 | 154.2 | -0.1 | 109.1 | A5 | A5-R7 PolarHBondContact O-N 2.89Š|
| 8 | D | 52.8 | Low | 50.5 | Low | 147 Ų | 147 | 165.1 Ų | 165.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140.2 | -168.8 | -66.1 | -59.1 | 0 | 0 | 0 | 114.3 | S10 | D8-S10 PolarHBondContact O-N 2.95Š|
| 9 | R | 44 | Very low | 50.3 | Low | 229 Ų | 229 | 167.7 Ų | 167.7 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.6 | 163 | -66.2 | 174.1 | -178.1 | 150.4 | -0.4 | 108.1 | | |
| 10 | S | 54.2 | Low | 50 | Low | 111 Ų | 111 | 162.9 Ų | 162.9 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | -103.4 | 91.3 | 161 | -50.4 | 0 | 0 | 0 | 0 | 106.6 | D8 D12 | D8-S10 PolarHBondContact O-N 2.95Å; S10-D12 PolarHBondContact O-N 2.9Å |
| 11 | D | 51.7 | Low | 50.1 | Low | 142 Ų | 142 | 163 Ų | 163 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | | | trans | -69.6 | 83.2 | 168.9 | -72.6 | -43.5 | 0 | 0 | 0 | 108.1 | S13 | D11-S13 PolarHBondContact O-N 3.25Š|
| 12 | D | 52.2 | Low | 50.3 | Low | 146 Ų | 146 | 156.4 Ų | 156.4 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -75.8 | 82.5 | 172.8 | -147.9 | -7.2 | 0 | 0 | 0 | 108.6 | S10 E14 | S10-D12 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.21Å |
| 13 | S | 54.2 | Low | 51 | Low | 105 Ų | 105 | 157 Ų | 157 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -67.7 | 87.3 | 173.6 | 56 | 0 | 0 | 0 | 0 | 109.9 | D11 K15 | D11-S13 PolarHBondContact O-N 3.25Å; S13-K15 PolarHBondContact O-N 3.07Å |
| 14 | E | 58.2 | Low | 51.2 | Low | 175 Ų | 175 | 160 Ų | 160 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -59.4 | 135.9 | 171.4 | -77.4 | -172.5 | 154.4 | 0 | 0 | 110.8 | D12 R16 | D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.21Å; E14-R16 PolarHBondContact O-N 3.09Å |
| 15 | K | 52.1 | Low | 51.8 | Low | 187 Ų | 187 | 167.7 Ų | 167.7 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -60.8 | 128.1 | -166.2 | -69.9 | 156 | 178.3 | 168.1 | 0 | 111.7 | S13 D17 | S13-K15 PolarHBondContact O-N 3.07Å; K15-D17 VanDerWaalsContact C-N 3.32Å; K15-D17 PolarHBondContact O-N 3.01Å |
| 16 | R | 52.5 | Low | 52.1 | Low | 251 Ų | 251 | 168.4 Ų | 168.4 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | | | trans | -71.8 | 85.4 | 162.4 | -76.6 | 179 | -124.3 | 175.8 | -0.8 | 109.9 | E14 | E14-R16 PolarHBondContact O-N 3.09Š|
| 17 | D | 57.8 | Low | 52.3 | Low | 115 Ų | 115 | 164 Ų | 164 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | | | trans | -80.2 | 131.1 | 147.8 | -59.3 | -39.4 | 0 | 0 | 0 | 104.9 | K15 | K15-D17 VanDerWaalsContact C-N 3.32Å; K15-D17 PolarHBondContact O-N 3.01Å |
| 18 | H | 56.8 | Low | 51.9 | Low | 178 Ų | 178 | 163.9 Ų | 163.9 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | | -162.2 | 118.5 | 67 | -61.7 | -71.9 | 0 | 0 | 0 | 108 | G20 | H18-G20 VanDerWaalsContact C-N 3.29Å; H18-G20 PolarHBondContact O-N 2.73Å |
| 19 | K | 46.8 | Very low | 51.6 | Low | 216 Ų | 216 | 168 Ų | 168 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | | | trans | -70.8 | 92 | 167.3 | -163 | 158.8 | -177.3 | 170.4 | 0 | 107.3 | H21 | K19-H21 PolarHBondContact O-N 2.76Š|
| 20 | G | 45.3 | Very low | 51.6 | Low | 70 Ų | 70 | 167.3 Ų | 167.3 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | -51.5 | 110.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | H18 C22 | H18-G20 VanDerWaalsContact C-N 3.29Å; H18-G20 PolarHBondContact O-N 2.73Å; G20-C22 PolarHBondContact O-N 2.95Å; G20-C22 VanDerWaalsContact O-N 3.13Å |
| 21 | H | 52.5 | Low | 51.5 | Low | 165 Ų | 165 | 167.3 Ų | 167.3 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | | | trans | -68.2 | 106.8 | 177.5 | 178.6 | 49.8 | 0 | 0 | 0 | 108.5 | K19 Q23 | K19-H21 PolarHBondContact O-N 2.76Å; H21-Q23 PolarHBondContact O-N 3.44Å |
| 22 | C | 45.6 | Very low | 51.4 | Low | 117 Ų | 117 | 166.6 Ų | 166.6 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | | | trans | -67.4 | 99.2 | 177 | -147.8 | 0 | 0 | 0 | 0 | 108.8 | G20 R24 | G20-C22 PolarHBondContact O-N 2.95Å; G20-C22 VanDerWaalsContact O-N 3.13Å; C22-R24 VanDerWaalsContact C-N 3.34Å; C22-R24 PolarHBondContact O-N 3.43Å |
| 23 | Q | 56.4 | Low | 50.8 | Low | 167 Ų | 167 | 162.6 Ų | 162.6 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | | | trans | -68 | 89.7 | 172.8 | -72.6 | -178 | -14.9 | 0 | 0 | 109.3 | H21 R25 | H21-Q23 PolarHBondContact O-N 3.44Å; Q23-R25 PolarHBondContact O-N 2.9Å; Q23-R25 VanDerWaalsContact O-N 3.14Å |
| 24 | R | 49.5 | Very low | 50.1 | Low | 242 Ų | 242 | 169.5 Ų | 169.5 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | | | trans | -77.7 | 102.2 | 172.1 | -139.4 | 174.7 | 167.5 | 174.5 | -4.6 | 108.2 | C22 S26 | C22-R24 VanDerWaalsContact C-N 3.34Å; C22-R24 PolarHBondContact O-N 3.43Å; R24-S26 PolarHBondContact O-N 3.18Å; R24-S26 VanDerWaalsContact O-N 3.11Å |
| 25 | R | 50.6 | Low | 49.4 | Very low | 244 Ų | 244 | 170.4 Ų | 170.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -46 | 108.3 | 175.3 | -66 | 172.4 | 174.9 | 160.1 | -2.7 | 110.9 | Q23 A27 | Q23-R25 PolarHBondContact O-N 2.9Å; Q23-R25 VanDerWaalsContact O-N 3.14Å; R25-A27 PolarHBondContact O-N 3.06Å |
| 26 | S | 57.5 | Low | 49.1 | Very low | 104 Ų | 104 | 166.4 Ų | 166.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -82.6 | 108.4 | 165.3 | 111.3 | 0 | 0 | 0 | 0 | 107.9 | R24 R28 | R24-S26 PolarHBondContact O-N 3.18Å; R24-S26 VanDerWaalsContact O-N 3.11Å; S26-R28 PolarHBondContact O-N 3.01Å |
| 27 | A | 52.3 | Low | 48.5 | Very low | 100 Ų | 100 | 166.5 Ų | 166.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | trans | -75.9 | 78.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | R25 R29 | R25-A27 PolarHBondContact O-N 3.06Å; A27-R29 PolarHBondContact O-N 3.08Å |
| 28 | R | 48.1 | Very low | 47.8 | Very low | 230 Ų | 230 | 168.5 Ų | 168.5 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | | | trans | -79.3 | 104.1 | 177 | -151.4 | 172.3 | -172.1 | -166.9 | 1.7 | 108.6 | S26 K30 | S26-R28 PolarHBondContact O-N 3.01Å; R28-K30 PolarHBondContact O-N 3.4Å |
| 29 | R | 46.2 | Very low | 47.4 | Very low | 235 Ų | 235 | 170.5 Ų | 170.5 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -48.9 | 131.5 | 173.8 | -79 | 174.6 | 146 | 170.1 | -7.3 | 110.6 | A27 S31 | A27-R29 PolarHBondContact O-N 3.08Å; R29-S31 PolarHBondContact O-N 3.18Å |
| 30 | K | 43.3 | Very low | 47.3 | Very low | 214 Ų | 214 | 169.3 Ų | 169.3 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | | | trans | -65.2 | 98.8 | 170 | -67.2 | -174.9 | 176.5 | -178 | 0 | 109 | R28 | R28-K30 PolarHBondContact O-N 3.4Š|
| 31 | S | 52.8 | Low | 47.5 | Very low | 111 Ų | 111 | 177.1 Ų | 177.1 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | | | trans | -98.8 | 100.6 | 159 | 57.5 | 0 | 0 | 0 | 0 | 108 | R29 G33 | R29-S31 PolarHBondContact O-N 3.18Å; S31-G33 PolarHBondContact O-N 2.64Å |
| 32 | S | 48.7 | Very low | 47.4 | Very low | 126 Ų | 126 | 176.6 Ų | 176.6 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | | | trans | -65 | 81.9 | 167.2 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 33 | G | 40.6 | Very low | 47.9 | Very low | 63 Ų | 63 | 177.1 Ų | 177.1 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | | | trans | -108.1 | 90.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S31 K35 | S31-G33 PolarHBondContact O-N 2.64Å; G33-K35 PolarHBondContact O-N 3.26Å |
| 34 | R | 38.9 | Very low | 47.7 | Very low | 250 Ų | 250 | 173.6 Ų | 173.6 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | | | trans | -57.2 | 104.1 | 163.6 | -80.7 | 178.4 | 169.4 | -177.6 | -2.8 | 108.3 | | |
| 35 | K | 44.2 | Very low | 47.8 | Very low | 194 Ų | 194 | 168 Ų | 168 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -139.9 | 111.8 | 157.5 | -79.8 | -160.8 | 175 | 179.9 | 0 | 111.2 | G33 | G33-K35 PolarHBondContact O-N 3.26Š|
| 36 | S | 44.5 | Very low | 47.9 | Very low | 102 Ų | 102 | 162.8 Ų | 162.8 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 41.2 | 100.7 | 145.6 | 60.3 | 0 | 0 | 0 | 0 | 117.9 | E38 | S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.95Å |
| 37 | R | 40.3 | Very low | 47.7 | Very low | 254 Ų | 254 | 165.1 Ų | 165.1 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | -52.1 | 82.1 | 153.3 | -166.9 | -177.6 | -161.6 | 168.3 | 3.2 | 110.6 | | |
| 38 | E | 43.4 | Very low | 47.7 | Very low | 157 Ų | 157 | 168.2 Ų | 168.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -153.9 | 127.2 | 167.5 | -120.7 | 178.6 | -162.6 | 0 | 0 | 109.9 | S36 | S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.95Å |
| 39 | R | 48.1 | Very low | 47.8 | Very low | 219 Ų | 219 | 166.9 Ų | 166.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | 94.9 | 60.4 | 172.1 | -51.3 | 176.2 | -167.8 | -122.3 | 0.4 | 116.9 | | |
| 40 | E | 44.7 | Very low | 48.1 | Very low | 192 Ų | 192 | 163.2 Ų | 163.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -95.2 | 38.1 | 164.8 | -159.7 | -178.4 | -173.6 | 0 | 0 | 112.2 | | |
| 41 | R | 49.2 | Very low | 48.5 | Very low | 233 Ų | 233 | 157.3 Ų | 157.3 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -139.5 | 30.4 | -173.8 | -67.6 | -168 | -173.6 | -120.4 | 2.1 | 116.8 | | |
| 42 | H | 49.7 | Very low | 48.5 | Very low | 155 Ų | 155 | 157 Ų | 157 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -120.1 | -4.3 | 176 | -84 | -71.5 | 0 | 0 | 0 | 117.1 | | |
| 43 | D | 56.9 | Low | 48.9 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -5.3 | -172.3 | -58 | -22.7 | 0 | 0 | 0 | 114.5 | | |
| 44 | A | 52.8 | Low | 49.6 | Very low | 94 Ų | 94 | 160 Ų | 160 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -19.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 45 | D | 51.9 | Low | 50.3 | Low | 124 Ų | 124 | 154.4 Ų | 154.4 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -8.9 | -175.1 | -123.3 | 7.6 | 0 | 0 | 0 | 113.7 | | |
| 46 | E | 52.7 | Low | 50.7 | Low | 135 Ų | 135 | 149 Ų | 149 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -76.5 | -32.3 | -178.9 | -156 | 168.5 | -155.9 | 0 | 0 | 111.8 | K48 R49 | E46-K48 PolarHBondContact O-N 3.12Å; E46-R49 PolarHBondContact O-N 3.05Å |
| 47 | H | 52.7 | Low | 51.3 | Low | 152 Ų | 152 | 153.2 Ų | 153.2 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -70.7 | -11.9 | -179.5 | -67.4 | -51.3 | 0 | 0 | 0 | 114.8 | | |
| 48 | K | 51.3 | Low | 52 | Low | 165 Ų | 165 | 150.4 Ų | 150.4 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.7 | -9.8 | 179.9 | -111.8 | 174.7 | -177.8 | 173.8 | 0 | 114.6 | E46 | E46-K48 PolarHBondContact O-N 3.12Š|
| 49 | R | 51.5 | Low | 52.6 | Low | 203 Ų | 203 | 147.8 Ų | 147.8 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -85.2 | -5.5 | -178.8 | -64.9 | -172.5 | -175.3 | -126.7 | 2.5 | 114.5 | E46 | E46-R49 PolarHBondContact O-N 3.05Š|
| 50 | H | 51.9 | Low | 52.8 | Low | 158 Ų | 158 | 142.5 Ų | 142.5 | 73% | 0.731 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -96.6 | -2.8 | -174 | -65.6 | -51.4 | 0 | 0 | 0 | 115.3 | | |
| 51 | S | 52 | Low | 53.4 | Low | 90 Ų | 90 | 136.7 Ų | 136.7 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | | | trans | -113.2 | 36.7 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | P53 | S51-P53 WeakPolarHBondContact O-CD 2.89Š|
| 52 | D | 51.8 | Low | 53.8 | Low | 103 Ų | 103 | 133.7 Ų | 133.7 | 55% | 0.551 | 69% | 0.692 | S | S | * | * | | | trans | -68.8 | 106 | 163.6 | -102.9 | -33.1 | 0 | 0 | 0 | 108.7 | N54 I55 | D52-N54 PolarHBondContact O-N 3.05Å; D52-N54 VanDerWaalsContact O-N 3.11Å; D52-I55 HydrophobicContact CB-CD1 4.04Å; D52-I55 HydrophobicContact CB-CG1 4.11Å; D52-I55 PolarHBondContact O-N 2.78Å; D52-I55 VanDerWaalsContact O-N 3.07Å |
| 53 | P | 57.1 | Low | 54.1 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.2 | -177.2 | -12.2 | 29.2 | 0 | 0 | 0 | 111.6 | S51 I55 | S51-P53 WeakPolarHBondContact O-CD 2.89Å; P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 3.43Å |
| 54 | N | 56.8 | Low | 54 | Low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -5.2 | 177.2 | -74.3 | -22.2 | 0 | 0 | 0 | 113.7 | D52 S56 | D52-N54 PolarHBondContact O-N 3.05Å; D52-N54 VanDerWaalsContact O-N 3.11Å; N54-S56 PolarHBondContact O-N 2.87Å |
| 55 | I | 53.2 | Low | 54 | Low | 133 Ų | 133 | 138.8 Ų | 138.8 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -78.2 | 50.7 | 159.8 | -56.5 | 171.3 | 0 | 0 | 0 | 107.8 | D52 P53 K57 | D52-I55 HydrophobicContact CB-CD1 4.04Å; D52-I55 HydrophobicContact CB-CG1 4.11Å; D52-I55 PolarHBondContact O-N 2.78Å; D52-I55 VanDerWaalsContact O-N 3.07Å; P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 3.43Å; I55-K57 PolarHBondContact O-N 2.87Å |
| 56 | S | 53.1 | Low | 54.1 | Low | 81 Ų | 81 | 142 Ų | 142 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | | | trans | -79.3 | 117 | 175.8 | 72.2 | 0 | 0 | 0 | 0 | 108.2 | N54 | N54-S56 PolarHBondContact O-N 2.87Š|
| 57 | K | 55.4 | Low | 54.1 | Low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | | | trans | 59.5 | 82.4 | 150.4 | -53.8 | 176.9 | -175 | 177 | 0 | 115 | I55 | I55-K57 PolarHBondContact O-N 2.87Š|
| 58 | K | 56.9 | Low | 54 | Low | 194 Ų | 194 | 137.9 Ų | 137.9 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | | | trans | -48.1 | 125.7 | 154.3 | -70.4 | -179.7 | -179.9 | 175.9 | 0 | 108.1 | N60 | K58-N60 PolarHBondContact O-N 3.05Å; K58-N60 VanDerWaalsContact O-N 3.11Å |
| 59 | P | 54.7 | Low | 53.9 | Low | 102 Ų | 102 | 135.1 Ų | 135.1 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | | | trans | -60.3 | 121.5 | 178.7 | 23.1 | -31.5 | 0 | 0 | 0 | 108.3 | A61 | P59-A61 PolarHBondContact O-N 3.22Š|
| 60 | N | 53.1 | Low | 54.1 | Low | 108 Ų | 108 | 134.5 Ų | 134.5 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | | | trans | -54.6 | 115.8 | 176.9 | -172.9 | -14 | 0 | 0 | 0 | 108.1 | K58 K62 N63 | K58-N60 PolarHBondContact O-N 3.05Å; K58-N60 VanDerWaalsContact O-N 3.11Å; N60-K62 PolarHBondContact O-N 2.88Å; N60-K62 PolarHBondContact OD1-N 3.21Å; N60-N63 PolarHBondContact O-N 3.21Å |
| 61 | A | 56.7 | Low | 54 | Low | 71 Ų | 71 | 137.5 Ų | 137.5 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -56.3 | -18.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P59 N63 | P59-A61 PolarHBondContact O-N 3.22Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.03Å |
| 62 | K | 57 | Low | 53.8 | Low | 170 Ų | 170 | 137.6 Ų | 137.6 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -65.5 | -23.2 | 174.9 | -66.6 | -174.1 | 176.6 | -177.3 | 0 | 114.1 | N60 | N60-K62 PolarHBondContact O-N 2.88Å; N60-K62 PolarHBondContact OD1-N 3.21Å |
| 63 | N | 56.7 | Low | 53.8 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 65% | 0.647 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -91 | -8.5 | -178.1 | -89 | 14.5 | 0 | 0 | 0 | 115.1 | N60 A61 W65 K66 | N60-N63 PolarHBondContact O-N 3.21Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.03Å; N63-W65 PolarHBondContact O-N 2.79Å; N63-W65 VanDerWaalsContact O-N 3.12Å; N63-K66 PolarHBondContact O-N 3.14Å |
| 64 | K | 55.9 | Low | 53.6 | Low | 155 Ų | 155 | 140.1 Ų | 140.1 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -13.2 | -177.6 | -68.9 | -160.7 | 178.3 | -173.2 | 0 | 114.3 | | |
| 65 | W | 52.4 | Low | 53.3 | Low | 206 Ų | 206 | 138 Ų | 138 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -9.1 | -176.2 | -59.6 | 99.9 | 0 | 0 | 0 | 114.5 | N63 G67 | N63-W65 PolarHBondContact O-N 2.79Å; N63-W65 VanDerWaalsContact O-N 3.12Å; W65-G67 VanDerWaalsContact C-N 3.29Å; W65-G67 PolarHBondContact O-N 2.92Å; W65-G67 VanDerWaalsContact O-N 3.1Å |
| 66 | K | 53.3 | Low | 53.2 | Low | 191 Ų | 191 | 137.6 Ų | 137.6 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 68.7 | 174.8 | -66.3 | -145.9 | -179.1 | -170.7 | 0 | 110.2 | N63 | N63-K66 PolarHBondContact O-N 3.14Š|
| 67 | G | 53 | Low | 53.2 | Low | 53 Ų | 53 | 144.7 Ų | 144.7 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -173.7 | -14.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | W65 T69 | W65-G67 VanDerWaalsContact C-N 3.29Å; W65-G67 PolarHBondContact O-N 2.92Å; W65-G67 VanDerWaalsContact O-N 3.1Å; G67-T69 PolarHBondContact O-N 2.78Å |
| 68 | L | 50.7 | Low | 53 | Low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | | | trans | -71.8 | 73.3 | 165 | -97 | 79.4 | 0 | 0 | 0 | 108.8 | | |
| 69 | T | 49.4 | Very low | 52.8 | Low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | trans | -61.2 | 144.9 | 163.7 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | G67 R71 | G67-T69 PolarHBondContact O-N 2.78Å; T69-R71 PolarHBondContact O-N 2.98Å |
| 70 | K | 54.2 | Low | 52.5 | Low | 190 Ų | 190 | 142.3 Ų | 142.3 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -59.7 | 11.4 | -173.7 | -64.4 | 179 | 178.4 | -177.9 | 0 | 115.5 | S73 | K70-S73 PolarHBondContact O-OG 2.81Š|
| 71 | R | 50.9 | Low | 52.2 | Low | 220 Ų | 220 | 141.3 Ų | 141.3 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -80.3 | -23.7 | -176.5 | -126.4 | 177.7 | -168.9 | 168 | 2.7 | 113.6 | T69 S73 | T69-R71 PolarHBondContact O-N 2.98Å; R71-S73 PolarHBondContact O-N 3.02Å |
| 72 | A | 48.3 | Very low | 51.8 | Low | 93 Ų | 93 | 143.4 Ų | 143.4 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -71.7 | -15.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 73 | S | 50.6 | Low | 51.1 | Low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -89.4 | 1.2 | -175.8 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | K70 R71 | K70-S73 PolarHBondContact O-OG 2.81Å; R71-S73 PolarHBondContact O-N 3.02Å |
| 74 | Q | 52.5 | Low | 50.3 | Low | 162 Ų | 162 | 139.3 Ų | 139.3 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -101.2 | -5.2 | -167.8 | -142 | 169.2 | 0.1 | 0 | 0 | 116.2 | | |
| 75 | N | 52.1 | Low | 49.7 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 53% | 0.529 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -128.8 | 27.8 | -171 | -138.4 | -0.1 | 0 | 0 | 0 | 117.4 | | |
| 76 | M | 51 | Low | 49.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 62% | 0.621 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -93.5 | -14.5 | 169 | -63.8 | -57.6 | -66.8 | 0 | 0 | 113.2 | L79 | M76-L79 HydrophobicContact CE-CD1 4.12Å; M76-L79 HydrophobicContact SD-CD1 3.98Å |
| 77 | R | 52.3 | Low | 49.3 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -79.3 | -27.6 | 179.4 | -165.1 | 174 | 175.4 | -168.5 | -2.4 | 112.6 | | |
| 78 | E | 50.7 | Low | 49 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -80.6 | -23.9 | 179.8 | -68.8 | -167.7 | 175.8 | 0 | 0 | 113.8 | F80 S81 | E78-F80 PolarHBondContact O-N 2.8Å; E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.03Å; E78-S81 PolarHBondContact O-OG 3.19Å |
| 79 | L | 54.5 | Low | 48.7 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 67% | 0.665 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -64.8 | -13.6 | 177.3 | -69.4 | 173.8 | 0 | 0 | 0 | 113.7 | M76 | M76-L79 HydrophobicContact CE-CD1 4.12Å; M76-L79 HydrophobicContact SD-CD1 3.98Å |
| 80 | F | 48.4 | Very low | 48.3 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -106.5 | 12.4 | 174.6 | -61.8 | -73.5 | 0 | 0 | 0 | 113.6 | E78 S82 | E78-F80 PolarHBondContact O-N 2.8Å; F80-S82 PolarHBondContact O-N 3.45Å |
| 81 | S | 46.4 | Very low | 48 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -78.3 | 68.9 | 167.1 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | E78 T83 | E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.03Å; E78-S81 PolarHBondContact O-OG 3.19Å; S81-T83 PolarHBondContact O-N 2.98Å |
| 82 | S | 47.5 | Very low | 48 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -57 | 113 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 109 | F80 | F80-S82 PolarHBondContact O-N 3.45Š|
| 83 | T | 41.8 | Very low | 48.2 | Very low | 139 Ų | 139 | 135 Ų | 135 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -77.6 | 120.5 | 164.7 | 31.3 | 0 | 0 | 0 | 0 | 107.2 | S81 | S81-T83 PolarHBondContact O-N 2.98Š|
| 84 | G | 41.6 | Very low | 48.1 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | trans | 67.9 | 98.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 85 | H | 41.5 | Very low | 47.7 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | | | | -149.6 | 111.4 | 119.7 | -115.6 | -82.1 | 0 | 0 | 0 | 108.8 | E87 | H85-E87 PolarHBondContact O-N 3.06Å; H85-E87 VanDerWaalsContact O-N 3.09Å |
| 86 | K | 47.2 | Very low | 47.1 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | | | trans | -74.4 | 83.9 | 164.9 | -69.7 | 177.7 | 176.8 | -179.3 | 0 | 106.4 | | |
| 87 | E | 49.8 | Very low | 46.9 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -98.5 | 114.6 | 158.7 | -69.6 | -174.1 | 178.8 | 0 | 0 | 105.2 | H85 P89 | H85-E87 PolarHBondContact O-N 3.06Å; H85-E87 VanDerWaalsContact O-N 3.09Å; E87-P89 VanDerWaalsContact C-N 3.35Å; E87-P89 WeakPolarHBondContact O-CD 3.21Å; E87-P89 WeakPolarHBondContact O-CG 3.48Å |
| 88 | D | 46.7 | Very low | 46.6 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -58.8 | 98.5 | 168.1 | -69.5 | -42.5 | 0 | 0 | 0 | 106.4 | G90 | D88-G90 PolarHBondContact O-N 3.35Š|
| 89 | P | 44.9 | Very low | 46.5 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | trans | -72.6 | 107.8 | -179.4 | -0.9 | 20.7 | 0 | 0 | 0 | 103.4 | E87 V91 | E87-P89 VanDerWaalsContact C-N 3.35Å; E87-P89 WeakPolarHBondContact O-CD 3.21Å; E87-P89 WeakPolarHBondContact O-CG 3.48Å; P89-V91 PolarHBondContact O-N 3.13Å |
| 90 | G | 41 | Very low | 46.1 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | trans | -37.7 | 118.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | D88 V92 | D88-G90 PolarHBondContact O-N 3.35Å; G90-V92 VanDerWaalsContact C-N 3.31Å; G90-V92 WeakPolarHBondContact O-CG2 3.47Å; G90-V92 PolarHBondContact O-N 3.49Å |
| 91 | V | 48.6 | Very low | 46.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | trans | -43.7 | 95.4 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | P89 K93 | P89-V91 PolarHBondContact O-N 3.13Å; V91-K93 HydrophobicContact CG1-CG 3.72Å; V91-K93 PolarHBondContact O-N 3.34Å |
| 92 | V | 51.5 | Low | 46.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | trans | -76 | 94.3 | 167.6 | -178.4 | 0 | 0 | 0 | 0 | 104.2 | G90 N94 | G90-V92 VanDerWaalsContact C-N 3.31Å; G90-V92 WeakPolarHBondContact O-CG2 3.47Å; G90-V92 PolarHBondContact O-N 3.49Å; V92-N94 PolarHBondContact O-N 3.05Å |
| 93 | K | 50.9 | Low | 46.2 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | | | trans | -64.9 | 69.6 | 173.1 | -62.9 | -179.6 | -178.6 | 178.1 | 0 | 109.5 | V91 A95 | V91-K93 HydrophobicContact CG1-CG 3.72Å; V91-K93 PolarHBondContact O-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.91Å |
| 94 | N | 48.5 | Very low | 46.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -95.5 | 75.2 | 158.4 | -74 | -15.8 | 0 | 0 | 0 | 106.8 | V92 G96 | V92-N94 PolarHBondContact O-N 3.05Å; N94-G96 PolarHBondContact O-N 2.91Å |
| 95 | A | 44 | Very low | 46.5 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -61.6 | 98.7 | 164 | 0 | 0 | 0 | 0 | 0 | 107.5 | K93 | K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.91Å |
| 96 | G | 40.8 | Very low | 46.5 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -166.6 | 67 | -168 | 0 | 0 | 0 | 0 | 0 | 113.5 | N94 | N94-G96 PolarHBondContact O-N 2.91Š|
| 97 | K | 46.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | | | trans | 71.8 | 94.4 | 158.5 | -56 | -175.8 | -178.8 | -177.3 | 0 | 115.6 | Y99 | K97-Y99 HydrophobicContact CB-CE2 4.4Å; K97-Y99 WeakPolarHBondContact O-CD2 3.45Å; K97-Y99 PolarHBondContact O-N 2.95Å; K97-Y99 VanDerWaalsContact O-N 3.14Å |
| 98 | E | 46.9 | Very low | 46.2 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -52 | 112 | 150.1 | -66.1 | 169.2 | -176.3 | 0 | 0 | 107.6 | | |
| 99 | Y | 46.5 | Very low | 46.3 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | -82.2 | 111.2 | 160.9 | -71.6 | -90.2 | 0 | 0 | 0 | 105.4 | K97 T101 | K97-Y99 HydrophobicContact CB-CE2 4.4Å; K97-Y99 WeakPolarHBondContact O-CD2 3.45Å; K97-Y99 PolarHBondContact O-N 2.95Å; K97-Y99 VanDerWaalsContact O-N 3.14Å; Y99-T101 PolarHBondContact O-N 3Å |
| 100 | D | 46.8 | Very low | 46.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -52.2 | 106.7 | 166 | -89.3 | -29.9 | 0 | 0 | 0 | 107.6 | M102 | D100-M102 PolarHBondContact O-N 2.76Š|
| 101 | T | 53.1 | Low | 46.3 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -68.7 | 91.6 | 168.2 | 49.9 | 0 | 0 | 0 | 0 | 106.3 | Y99 E103 | Y99-T101 PolarHBondContact O-N 3Å; T101-E103 PolarHBondContact O-N 3.05Å |
| 102 | M | 45 | Very low | 46 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | -56.6 | 105.7 | 170.5 | -172 | 174.1 | -69.2 | 0 | 0 | 107.3 | D100 H104 | D100-M102 PolarHBondContact O-N 2.76Å; M102-H104 PolarHBondContact O-N 2.95Å |
| 103 | E | 46.5 | Very low | 45.3 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -56.2 | 101.7 | 171.3 | -73.6 | -172.8 | 155.7 | 0 | 0 | 107.8 | T101 A105 | T101-E103 PolarHBondContact O-N 3.05Å; E103-A105 PolarHBondContact O-N 3.4Å |
| 104 | H | 47.7 | Very low | 44.3 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -74.3 | 76 | 167.7 | -70.4 | -49.6 | 0 | 0 | 0 | 108.4 | M102 G106 | M102-H104 PolarHBondContact O-N 2.95Å; H104-G106 PolarHBondContact O-N 2.96Å |
| 105 | A | 41.9 | Very low | 43.4 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -57.1 | 116.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E103 | E103-A105 PolarHBondContact O-N 3.4Š|
| 106 | G | 40.8 | Very low | 43.1 | Very low | 64 Ų | 64 | 145.8 Ų | 145.8 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | trans | 54.4 | 86.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | H104 | H104-G106 PolarHBondContact O-N 2.96Š|
| 107 | K | 47.8 | Very low | 43.2 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -132.9 | 77.8 | 146.4 | -68 | -173.5 | -175.8 | 174 | 0 | 109.8 | K109 | K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3.26Å |
| 108 | T | 43 | Very low | 42.9 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -63.2 | 97.8 | 162.6 | -31.7 | 0 | 0 | 0 | 0 | 107 | Q110 | T108-Q110 PolarHBondContact O-N 2.84Š|
| 109 | K | 49.1 | Very low | 42.8 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | -63.3 | 107.8 | 177.5 | -80 | -179 | 176.1 | 176.5 | 0 | 108.9 | K107 F111 | K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3.26Å; K109-F111 PolarHBondContact O-N 3.19Å |
| 110 | Q | 44.5 | Very low | 42.6 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | -61.3 | 116.5 | 162.5 | -75.3 | -178 | -25.5 | 0 | 0 | 107.8 | T108 F112 | T108-Q110 PolarHBondContact O-N 2.84Å; Q110-F112 VanDerWaalsContact C-N 3.33Å; Q110-F112 HydrophobicContact CB-CD2 4.14Å; Q110-F112 HydrophobicContact CB-CE2 3.76Å; Q110-F112 HydrophobicContact CB-CZ 4.4Å; Q110-F112 PolarHBondContact O-N 3.08Å |
| 111 | F | 41.9 | Very low | 42.5 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | | | trans | -71.9 | 91 | 171 | -71.2 | -93.2 | 0 | 0 | 0 | 107.9 | K109 A113 | K109-F111 PolarHBondContact O-N 3.19Å; F111-A113 PolarHBondContact O-N 2.85Å |
| 112 | F | 43.3 | Very low | 42 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -72.3 | 117.4 | 165.5 | -74.1 | -80.6 | 0 | 0 | 0 | 108.5 | Q110 | Q110-F112 VanDerWaalsContact C-N 3.33Å; Q110-F112 HydrophobicContact CB-CD2 4.14Å; Q110-F112 HydrophobicContact CB-CE2 3.76Å; Q110-F112 HydrophobicContact CB-CZ 4.4Å; Q110-F112 PolarHBondContact O-N 3.08Å |
| 113 | A | 36.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | -67.4 | 123.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F111 | F111-A113 PolarHBondContact O-N 2.85Š|
| 114 | G | 28.2 | Very low | 41.8 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | 118.4 | 112.5 | 167 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 115 | G | 29.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | 145.6 | 85.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S117 | G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.91Å |
| 116 | E | 39 | Very low | 42.1 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | | | trans | -66.9 | 75.3 | 171.1 | -63.6 | 179.8 | 145.8 | 0 | 0 | 111.1 | | |
| 117 | S | 42.3 | Very low | 42.2 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | -170.2 | 61.5 | 169.3 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | G115 | G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.91Å |
| 118 | A | 40.3 | Very low | 42 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -151 | 56.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 119 | K | 44.4 | Very low | 42 | Very low | 218 Ų | 218 | 152.8 Ų | 152.8 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | | | trans | -91.7 | 7.1 | 175.1 | -87 | -172.8 | 178.8 | 175.8 | 0 | 115 | | |
| 120 | Q | 43.4 | Very low | 42 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -111.6 | -12 | -169.1 | -77.7 | -167 | -21.1 | 0 | 0 | 119.1 | | |
| 121 | N | 43.7 | Very low | 41.9 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -120.7 | 36.6 | -171.3 | -66.3 | -14.5 | 0 | 0 | 0 | 115.6 | | |
| 122 | A | 42.4 | Very low | 42 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -103 | 28.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 123 | R | 41.4 | Very low | 42.3 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -97.7 | 68.5 | 170 | -72.1 | -173 | 177.9 | -177.4 | 0.1 | 109.6 | | |
| 124 | E | 46.6 | Very low | 42.8 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | | | trans | -158 | 130.2 | 169.4 | -120.6 | 171.6 | -149 | 0 | 0 | 110.2 | | |
| 125 | Y | 44.9 | Very low | 43.6 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 74% | 0.737 | 80% | 0.8 | S | S | * | * | | | trans | 73.7 | 73.7 | 172.1 | -47.3 | -79.2 | 0 | 0 | 0 | 117.9 | | |
| 126 | I | 50.9 | Low | 44.1 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -100.1 | 87.8 | 139.4 | -57.5 | 176.7 | 0 | 0 | 0 | 105.5 | G128 | I126-G128 PolarHBondContact O-N 3.17Å; I126-G128 VanDerWaalsContact O-N 3.08Å |
| 127 | E | 44 | Very low | 44.4 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -63 | 105.9 | 172 | -164.1 | 169.4 | -158.1 | 0 | 0 | 107.5 | Y129 | E127-Y129 PolarHBondContact O-N 3.08Å; E127-Y129 VanDerWaalsContact O-N 3.17Å |
| 128 | G | 41.8 | Very low | 44.5 | Very low | 56 Ų | 56 | 149.9 Ų | 149.9 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | | | trans | -69.9 | 108.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I126 V130 | I126-G128 PolarHBondContact O-N 3.17Å; I126-G128 VanDerWaalsContact O-N 3.08Å; G128-V130 PolarHBondContact O-N 2.91Å |
| 129 | Y | 44 | Very low | 44.9 | Very low | 211 Ų | 211 | 151.1 Ų | 151.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -67.9 | 87.3 | 153.8 | -68.5 | -88.7 | 0 | 0 | 0 | 107.4 | E127 M131 | E127-Y129 PolarHBondContact O-N 3.08Å; E127-Y129 VanDerWaalsContact O-N 3.17Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.96Å |
| 130 | V | 47.9 | Very low | 44.7 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -70.4 | 91.4 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | G128 P132 | G128-V130 PolarHBondContact O-N 2.91Å; V130-P132 WeakPolarHBondContact O-CD 3.39Å |
| 131 | M | 42.4 | Very low | 44.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -60 | 126.5 | 168.4 | -67.7 | -62.9 | -61.1 | 0 | 0 | 107.8 | Y129 G133 | Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.96Å; M131-G133 VanDerWaalsContact C-N 3.26Å; M131-G133 PolarHBondContact O-N 3.24Å |
| 132 | P | 45.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | -61.9 | 94.7 | 168.3 | -18.8 | 31.7 | 0 | 0 | 0 | 107.8 | V130 D134 | V130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-D134 VanDerWaalsContact C-N 3.25Å; P132-D134 PolarHBondContact O-N 2.82Å |
| 133 | G | 48.8 | Very low | 44.8 | Very low | 67 Ų | 67 | 147.4 Ų | 147.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 94.4 | 167 | 0 | 0 | 0 | 0 | 0 | 106.6 | M131 K135 | M131-G133 VanDerWaalsContact C-N 3.26Å; M131-G133 PolarHBondContact O-N 3.24Å; G133-K135 PolarHBondContact O-N 3.34Å |
| 134 | D | 46.9 | Very low | 45.1 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -44.4 | 127.4 | 164.1 | -79.2 | -33.9 | 0 | 0 | 0 | 107.3 | P132 G136 | P132-D134 VanDerWaalsContact C-N 3.25Å; P132-D134 PolarHBondContact O-N 2.82Å; D134-G136 PolarHBondContact O-N 2.93Å |
| 135 | K | 44.3 | Very low | 44.9 | Very low | 210 Ų | 210 | 143.9 Ų | 143.9 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | trans | -63.2 | 69.4 | 173.5 | -71.5 | 173.9 | 177 | 174.3 | 0 | 108.9 | G133 K137 | G133-K135 PolarHBondContact O-N 3.34Å; K135-K137 PolarHBondContact O-N 3.15Å |
| 136 | G | 42.1 | Very low | 44.9 | Very low | 55 Ų | 55 | 138.1 Ų | 138.1 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | trans | -70.8 | 111 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | D134 N138 | D134-G136 PolarHBondContact O-N 2.93Å; G136-N138 PolarHBondContact O-N 3.08Å |
| 137 | K | 44.5 | Very low | 44.5 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | -51.3 | 109.7 | 169.1 | -65.6 | 175.6 | 179.3 | 179.7 | 0 | 107.5 | K135 C139 | K135-K137 PolarHBondContact O-N 3.15Å; K137-C139 PolarHBondContact O-N 2.87Å; K137-C139 VanDerWaalsContact O-N 3.12Å |
| 138 | N | 43.7 | Very low | 44.5 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -57.9 | 121.1 | 172.4 | -72.5 | -23.7 | 0 | 0 | 0 | 107.6 | G136 F140 | G136-N138 PolarHBondContact O-N 3.08Å; N138-F140 PolarHBondContact O-N 3.25Å |
| 139 | C | 48.7 | Very low | 44.8 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -67.6 | -4.1 | -175.5 | -44.6 | 0 | 0 | 0 | 0 | 113.5 | K137 | K137-C139 PolarHBondContact O-N 2.87Å; K137-C139 VanDerWaalsContact O-N 3.12Å |
| 140 | F | 41.2 | Very low | 44.5 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | | | trans | -102.5 | 80.5 | 178.4 | -61.9 | -79.8 | 0 | 0 | 0 | 107.9 | N138 T142 | N138-F140 PolarHBondContact O-N 3.25Å; F140-T142 PolarHBondContact O-N 2.75Å |
| 141 | A | 41 | Very low | 43.8 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -73 | 76.7 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | E143 | A141-E143 PolarHBondContact O-N 2.79Š|
| 142 | T | 46.5 | Very low | 43.9 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | | | trans | -83.3 | 101.6 | 157.6 | 45 | 0 | 0 | 0 | 0 | 105.8 | F140 T144 | F140-T142 PolarHBondContact O-N 2.75Å; T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact O-OG1 2.96Å |
| 143 | E | 43.9 | Very low | 43.5 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | -52.6 | 95.9 | 164.4 | -65.3 | 175.8 | -179.5 | 0 | 0 | 106.8 | A141 | A141-E143 PolarHBondContact O-N 2.79Š|
| 144 | T | 46.7 | Very low | 43.1 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | -107.8 | 112.7 | 169.4 | -4.3 | 0 | 0 | 0 | 0 | 103.2 | T142 G146 | T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact O-OG1 2.96Å; T144-G146 PolarHBondContact O-N 3.15Å |
| 145 | E | 44 | Very low | 43.1 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -57.4 | 93.4 | 170.9 | -63.9 | -178.7 | 172.1 | 0 | 0 | 106.8 | E147 | E145-E147 PolarHBondContact O-N 2.73Š|
| 146 | G | 43.3 | Very low | 43.2 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -71 | 99.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T144 E148 | T144-G146 PolarHBondContact O-N 3.15Å; G146-E148 PolarHBondContact O-N 2.89Å |
| 147 | E | 43.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -48.4 | 121.1 | 166.2 | -168.9 | -178.4 | 177 | 0 | 0 | 108.4 | E145 V149 | E145-E147 PolarHBondContact O-N 2.73Å; E147-V149 PolarHBondContact O-N 2.87Å |
| 148 | E | 43.1 | Very low | 43.5 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -66.6 | 78.4 | -175.5 | -67.3 | -174.4 | 160.8 | 0 | 0 | 110.7 | G146 G150 | G146-E148 PolarHBondContact O-N 2.89Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.2Å |
| 149 | V | 47.7 | Very low | 44 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -78.7 | 88.8 | 170.4 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | E147 | E147-V149 PolarHBondContact O-N 2.87Š|
| 150 | G | 37.3 | Very low | 44.4 | Very low | 55 Ų | 55 | 137.4 Ų | 137.4 | 57% | 0.567 | 79% | 0.787 | S | S | * | * | | | trans | 41.8 | 99.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | E148 K152 | E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.2Å; G150-K152 PolarHBondContact O-N 3.02Å |
| 151 | T | 34.1 | Very low | 45.2 | Very low | 146 Ų | 146 | 135 Ų | 135 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | -22.2 | 101.4 | 154.7 | 49 | 0 | 0 | 0 | 0 | 115.2 | | |
| 152 | K | 44 | Very low | 45.8 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | trans | -132.3 | 95.9 | 148.4 | -71.9 | -169.7 | -178.6 | 173.2 | 0 | 109.7 | G150 G154 | G150-K152 PolarHBondContact O-N 3.02Å; K152-G154 PolarHBondContact O-N 3.5Å |
| 153 | K | 37.5 | Very low | 45.9 | Very low | 228 Ų | 228 | 137 Ų | 137 | 99% | 0.991 | 77% | 0.774 | S | S | * | * | | | trans | -40.2 | 102.3 | 158.1 | -115.9 | 172.9 | 174.5 | 176.7 | 0 | 108.8 | | |
| 154 | G | 41.3 | Very low | 46.4 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -169.5 | 68.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K152 | K152-G154 PolarHBondContact O-N 3.5Š|
| 155 | Q | 47.4 | Very low | 46.7 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | 56.1 | 111.5 | 141.6 | -60.4 | -179.5 | -16.4 | 0 | 0 | 118.3 | | |
| 156 | N | 45.4 | Very low | 46.9 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 68.1 | 83.7 | 147.1 | -54 | -24.6 | 0 | 0 | 0 | 116.8 | A158 | N156-A158 VanDerWaalsContact C-N 3.26Å; N156-A158 PolarHBondContact O-N 3.17Å |
| 157 | G | 43.9 | Very low | 47.3 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | 42.2 | 45.8 | 132.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | L159 | G157-L159 PolarHBondContact O-N 2.82Š|
| 158 | A | 49.6 | Very low | 48 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | -58.3 | 108.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | N156 | N156-A158 VanDerWaalsContact C-N 3.26Å; N156-A158 PolarHBondContact O-N 3.17Å |
| 159 | L | 52.9 | Low | 48.7 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -47.7 | 139.8 | 161.5 | -85.8 | 148.5 | 0 | 0 | 0 | 107 | G157 D161 | G157-L159 PolarHBondContact O-N 2.82Å; L159-D161 PolarHBondContact O-N 3.2Å |
| 160 | P | 58.6 | Low | 49.1 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 53% | 0.532 | 76% | 0.763 | S | S | . | * | | | trans | -48.4 | 118.6 | 174.2 | -21.9 | 30 | 0 | 0 | 0 | 107.9 | Y162 | P160-Y162 HydrophobicContact CB-CE2 4.39Å; P160-Y162 WeakPolarHBondContact O-CD2 3.41Å; P160-Y162 PolarHBondContact O-N 3.26Å |
| 161 | D | 56.9 | Low | 50 | Low | 129 Ų | 129 | 140.7 Ų | 140.7 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | trans | -64.2 | 95.8 | 170.9 | -177.7 | 16 | 0 | 0 | 0 | 105.4 | L159 G163 T164 | L159-D161 PolarHBondContact O-N 3.2Å; D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 VanDerWaalsContact OD1-CA 3.29Å; D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.13Å; D161-T164 PolarHBondContact OD1-N 2.87Å |
| 162 | Y | 53.8 | Low | 50.7 | Low | 198 Ų | 198 | 137.4 Ų | 137.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 76 | 163.4 | -63.8 | -76 | 0 | 0 | 0 | 105.1 | P160 T164 | P160-Y162 HydrophobicContact CB-CE2 4.39Å; P160-Y162 WeakPolarHBondContact O-CD2 3.41Å; P160-Y162 PolarHBondContact O-N 3.26Å; Y162-T164 PolarHBondContact O-N 2.74Å; Y162-T164 VanDerWaalsContact O-N 3.13Å |
| 163 | G | 49.8 | Very low | 50.9 | Low | 47 Ų | 47 | 138.2 Ų | 138.2 | 49% | 0.485 | 76% | 0.761 | S | S | . | * | | | trans | -21.4 | 109.4 | -161.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D161 C165 | D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 VanDerWaalsContact OD1-CA 3.29Å; D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.13Å; G163-C165 WeakPolarHBondContact O-CA 3.23Å; G163-C165 PolarHBondContact O-N 2.87Å |
| 164 | T | 53.1 | Low | 51.4 | Low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -29.5 | 109.9 | 174.5 | -57 | 0 | 0 | 0 | 0 | 107.7 | D161 Y162 G166 | D161-T164 PolarHBondContact OD1-N 2.87Å; Y162-T164 PolarHBondContact O-N 2.74Å; Y162-T164 VanDerWaalsContact O-N 3.13Å; T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 WeakPolarHBondContact O-CA 3.04Å; T164-G166 PolarHBondContact O-N 3.35Å |
| 165 | C | 52.9 | Low | 51.5 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | trans | -49.9 | 98.4 | -165 | -52.6 | 0 | 0 | 0 | 0 | 107.6 | G163 K167 | G163-C165 WeakPolarHBondContact O-CA 3.23Å; G163-C165 PolarHBondContact O-N 2.87Å; C165-K167 PolarHBondContact O-N 3.1Å |
| 166 | G | 48.3 | Very low | 51.5 | Low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | | | trans | -54.3 | 136.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | T164 I168 | T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 WeakPolarHBondContact O-CA 3.04Å; T164-G166 PolarHBondContact O-N 3.35Å; G166-I168 PolarHBondContact O-N 2.98Å |
| 167 | K | 52.5 | Low | 51.6 | Low | 205 Ų | 205 | 135 Ų | 135 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | | | trans | -34.9 | 120.7 | 175.9 | -75.4 | -175.6 | 177.9 | -178.5 | 0 | 107.5 | C165 K169 | C165-K167 PolarHBondContact O-N 3.1Å; K167-K169 PolarHBondContact O-N 2.88Å |
| 168 | I | 57.6 | Low | 51.8 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | | | trans | -42.2 | 116.2 | -177.8 | -57.2 | 164.7 | 0 | 0 | 0 | 104.9 | G166 E170 | G166-I168 PolarHBondContact O-N 2.98Å; I168-E170 VanDerWaalsContact C-N 3.27Å; I168-E170 PolarHBondContact O-N 2.91Å |
| 169 | K | 57.5 | Low | 51.6 | Low | 179 Ų | 179 | 139.1 Ų | 139.1 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | | | trans | -54.6 | 108.2 | 171.1 | -87.8 | -179.2 | 176.1 | 177.4 | 0 | 103.6 | K167 F171 | K167-K169 PolarHBondContact O-N 2.88Å; K169-F171 WeakPolarHBondContact O-CD2 3.36Å; K169-F171 PolarHBondContact O-N 3.37Å |
| 170 | E | 56.8 | Low | 51.3 | Low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | | | trans | -55.8 | 104.5 | 167.5 | -74.1 | -179.2 | 176 | 0 | 0 | 103.2 | I168 A172 | I168-E170 VanDerWaalsContact C-N 3.27Å; I168-E170 PolarHBondContact O-N 2.91Å; E170-A172 PolarHBondContact O-N 3.12Å |
| 171 | F | 55.7 | Low | 51 | Low | 179 Ų | 179 | 138.4 Ų | 138.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | -61.3 | 101.1 | 170.9 | -74.1 | -87 | 0 | 0 | 0 | 103.4 | K169 Y173 | K169-F171 WeakPolarHBondContact O-CD2 3.36Å; K169-F171 PolarHBondContact O-N 3.37Å; F171-Y173 VanDerWaalsContact C-N 3.35Å; F171-Y173 PolarHBondContact O-N 3.31Å |
| 172 | A | 49.3 | Very low | 50.9 | Low | 77 Ų | 77 | 136 Ų | 136 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | -49.5 | 113.8 | 162 | 0 | 0 | 0 | 0 | 0 | 104.1 | E170 D174 | E170-A172 PolarHBondContact O-N 3.12Å; A172-D174 PolarHBondContact O-N 3.39Å |
| 173 | Y | 48.8 | Very low | 50.6 | Low | 217 Ų | 217 | 132 Ų | 132 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | | | trans | -72.3 | 70.9 | 176.3 | -140.4 | -90.9 | 0 | 0 | 0 | 104.8 | F171 N175 | F171-Y173 VanDerWaalsContact C-N 3.35Å; F171-Y173 PolarHBondContact O-N 3.31Å; Y173-N175 PolarHBondContact O-N 2.97Å |
| 174 | D | 46.7 | Very low | 50.5 | Low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | | | trans | -60.5 | 113.6 | 170 | -86.4 | -22.5 | 0 | 0 | 0 | 104.5 | A172 Q176 | A172-D174 PolarHBondContact O-N 3.39Å; D174-Q176 HydrophobicContact CB-CG 4.5Å; D174-Q176 PolarHBondContact O-N 2.62Å |
| 175 | N | 43.6 | Very low | 50.5 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | -69.8 | 65 | -170.5 | -153.3 | 4.5 | 0 | 0 | 0 | 107.9 | Y173 N177 | Y173-N175 PolarHBondContact O-N 2.97Å; N175-N177 PolarHBondContact O-N 3.11Å |
| 176 | Q | 47.3 | Very low | 50.4 | Low | 152 Ų | 152 | 140.6 Ų | 140.6 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | | | trans | -76 | 70.1 | 175.7 | -69.7 | -90.7 | -44.3 | 0 | 0 | 106.8 | D174 E178 | D174-Q176 HydrophobicContact CB-CG 4.5Å; D174-Q176 PolarHBondContact O-N 2.62Å; Q176-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact O-N 3.1Å |
| 177 | N | 47.7 | Very low | 50.6 | Low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | -67.8 | 21.9 | 158 | -93 | -28 | 0 | 0 | 0 | 111.6 | N175 P179 | N175-N177 PolarHBondContact O-N 3.11Å; N177-P179 VanDerWaalsContact O-CD 3.24Å; N177-P179 WeakPolarHBondContact O-CD 3.48Å |
| 178 | E | 47.9 | Very low | 50.4 | Low | 157 Ų | 157 | 145.2 Ų | 145.2 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | -94.4 | 104.8 | 166.1 | -70.6 | -147.5 | 157.7 | 0 | 0 | 108.6 | Q176 N180 | Q176-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact O-N 3.1Å; E178-N180 PolarHBondContact O-N 3.47Å |
| 179 | P | 46.6 | Very low | 50.3 | Low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | | | trans | -65.4 | 101.9 | 177.7 | 27.3 | -32.2 | 0 | 0 | 0 | 108 | N177 A181 | N177-P179 VanDerWaalsContact O-CD 3.24Å; N177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-A181 PolarHBondContact O-N 3.07Å |
| 180 | N | 46.2 | Very low | 50.1 | Low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | -65.4 | 102.7 | 173.4 | -140.4 | -13.6 | 0 | 0 | 0 | 107.6 | E178 A182 L183 | E178-N180 PolarHBondContact O-N 3.47Å; N180-A182 PolarHBondContact O-N 3.37Å; N180-L183 PolarHBondContact O-N 3.44Å |
| 181 | A | 52.4 | Low | 50.1 | Low | 80 Ų | 80 | 140.6 Ų | 140.6 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -21.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P179 L183 E184 | P179-A181 PolarHBondContact O-N 3.07Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.18Å; A181-E184 PolarHBondContact O-N 3.43Å |
| 182 | A | 55.4 | Low | 50 | Low | 77 Ų | 77 | 137 Ų | 137 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.2 | -21.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N180 | N180-A182 PolarHBondContact O-N 3.37Å |
| 183 | L | 47.2 | Very low | 50.6 | Low | 116 Ų | 116 | 139.3 Ų | 139.3 | 61% | 0.607 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -89.3 | -22.5 | 179.7 | -134.2 | 101.6 | 0 | 0 | 0 | 113.6 | N180 A181 E185 | N180-L183 PolarHBondContact O-N 3.44Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.18Å; L183-E185 VanDerWaalsContact C-N 3.35Å |
| 184 | E | 46.8 | Very low | 50.9 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.3 | -28.6 | 177 | -75.4 | -145.6 | 158.8 | 0 | 0 | 112.6 | A181 K186 R187 | A181-E184 PolarHBondContact O-N 3.43Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.12Å; E184-R187 PolarHBondContact O-N 3.11Å; E184-R187 VanDerWaalsContact O-N 3.12Å |
| 185 | E | 52.7 | Low | 51.5 | Low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | 179.5 | -164.6 | 172.7 | -172.8 | 0 | 0 | 111.8 | L183 R187 K188 | L183-E185 VanDerWaalsContact C-N 3.35Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.02Å; E185-K188 PolarHBondContact O-N 3.36Å |
| 186 | K | 52.4 | Low | 52.1 | Low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -10.4 | 176.2 | -69.3 | -137.6 | 178.4 | -175.4 | 0 | 114.5 | E184 | E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.12Å |
| 187 | R | 51.2 | Low | 52.6 | Low | 198 Ų | 198 | 133.4 Ų | 133.4 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -1.2 | 176.3 | -68.6 | -174 | 177.1 | 175.9 | 1.1 | 113.2 | E184 E185 | E184-R187 PolarHBondContact O-N 3.11Å; E184-R187 VanDerWaalsContact O-N 3.12Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.02Å |
| 188 | K | 48.5 | Very low | 53.1 | Low | 167 Ų | 167 | 132.3 Ų | 132.3 | 73% | 0.726 | 70% | 0.695 | S | S | * | * | | | trans | -89 | 11 | 178.9 | -78.5 | -175.6 | -178.9 | 176.1 | 0 | 115.5 | E185 N190 | E185-K188 PolarHBondContact O-N 3.36Å; K188-N190 PolarHBondContact O-N 2.96Å |
| 189 | S | 56.3 | Low | 53.3 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | | | trans | -74.1 | 81.9 | 156.3 | 55 | 0 | 0 | 0 | 0 | 108.4 | E191 | S189-E191 PolarHBondContact O-N 3.36Š|
| 190 | N | 53.3 | Low | 53.5 | Low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | | | trans | -69.7 | 25.2 | 169.7 | -126.1 | -1.4 | 0 | 0 | 0 | 111.5 | K188 P192 | K188-N190 PolarHBondContact O-N 2.96Å; N190-P192 WeakPolarHBondContact O-CD 3.33Å |
| 191 | E | 56.3 | Low | 53.7 | Low | 166 Ų | 166 | 132.1 Ų | 132.1 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -79 | 119.9 | 177.6 | -120.7 | 174.9 | -176.6 | 0 | 0 | 107.1 | S189 | S189-E191 PolarHBondContact O-N 3.36Š|
| 192 | P | 53.9 | Low | 53.6 | Low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 144.4 | 175 | 23.5 | -31.4 | 0 | 0 | 0 | 108.8 | N190 M194 | N190-P192 WeakPolarHBondContact O-CD 3.33Å; P192-M194 PolarHBondContact O-N 2.92Å; P192-M194 VanDerWaalsContact O-N 3.17Å |
| 193 | P | 61.8 | Low | 53.4 | Low | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 129.3 | 174 | 21.8 | -31.6 | 0 | 0 | 0 | 108.4 | N195 | P193-N195 PolarHBondContact O-N 2.93Š|
| 194 | M | 55.3 | Low | 53.6 | Low | 134 Ų | 134 | 141.4 Ų | 141.4 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | | | trans | -41.3 | 126.8 | 178 | -100.4 | -174.9 | -70.6 | 0 | 0 | 109.8 | P192 L196 Y199 | P192-M194 PolarHBondContact O-N 2.92Å; P192-M194 VanDerWaalsContact O-N 3.17Å; M194-L196 PolarHBondContact O-N 3.03Å; M194-Y199 HydrophobicContact CB-CE2 4.22Å; M194-Y199 HydrophobicContact CE-CE2 4.4Å; M194-Y199 WeakPolarHBondContact CE-OH 3.29Å; M194-Y199 HydrophobicContact SD-CE2 3.84Å; M194-Y199 PolarHBondContact SD-OH 3.06Å |
| 195 | N | 59.1 | Low | 53.8 | Low | 85 Ų | 85 | 138.8 Ų | 138.8 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | | | trans | -62.9 | 125.7 | 178.3 | -163.3 | 4.3 | 0 | 0 | 0 | 108 | P193 E197 D198 | P193-N195 PolarHBondContact O-N 2.93Å; N195-E197 PolarHBondContact ND2-OE2 2.78Å; N195-E197 VanDerWaalsContact ND2-OE2 3.15Å; N195-E197 PolarHBondContact O-N 3.26Å; N195-E197 VanDerWaalsContact O-N 3.15Å; N195-D198 WeakPolarHBondContact O-CB 3.31Å; N195-D198 PolarHBondContact O-N 2.8Å; N195-D198 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 54.9 | Low | 53.7 | Low | 145 Ų | 145 | 137.7 Ų | 137.7 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -61 | -24.8 | -177.5 | -87 | 150.5 | 0 | 0 | 0 | 111.9 | M194 D198 Y199 | M194-L196 PolarHBondContact O-N 3.03Å; L196-D198 PolarHBondContact O-N 3.03Å; L196-Y199 PolarHBondContact O-N 3.42Å |
| 197 | E | 59.4 | Low | 53.8 | Low | 140 Ų | 140 | 134.8 Ų | 134.8 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -63.8 | -27.3 | 177 | -62.3 | 174.9 | 165.1 | 0 | 0 | 112.6 | N195 Y199 E200 | N195-E197 PolarHBondContact ND2-OE2 2.78Å; N195-E197 VanDerWaalsContact ND2-OE2 3.15Å; N195-E197 PolarHBondContact O-N 3.26Å; N195-E197 VanDerWaalsContact O-N 3.15Å; E197-Y199 PolarHBondContact O-N 2.91Å; E197-E200 PolarHBondContact O-N 3.29Å |
| 198 | D | 58.1 | Low | 53.9 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.9 | -17.5 | 178.3 | -65.6 | -25.2 | 0 | 0 | 0 | 112.2 | N195 L196 | N195-D198 WeakPolarHBondContact O-CB 3.31Å; N195-D198 PolarHBondContact O-N 2.8Å; N195-D198 VanDerWaalsContact O-N 3.08Å; L196-D198 PolarHBondContact O-N 3.03Å |
| 199 | Y | 51.2 | Low | 54.1 | Low | 107 Ų | 107 | 130.8 Ų | 130.8 | 42% | 0.42 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -84.3 | -14.4 | 177.5 | -76 | -83.6 | 0 | 0 | 0 | 113.9 | M194 L196 E197 T201 | M194-Y199 HydrophobicContact CB-CE2 4.22Å; M194-Y199 HydrophobicContact CE-CE2 4.4Å; M194-Y199 WeakPolarHBondContact CE-OH 3.29Å; M194-Y199 HydrophobicContact SD-CE2 3.84Å; M194-Y199 PolarHBondContact SD-OH 3.06Å; L196-Y199 PolarHBondContact O-N 3.42Å; E197-Y199 PolarHBondContact O-N 2.91Å; Y199-T201 VanDerWaalsContact C-N 3.3Å; Y199-T201 PolarHBondContact O-N 2.94Å |
| 200 | E | 51.9 | Low | 53.9 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -6 | -175.9 | -69.9 | -159.9 | 154.3 | 0 | 0 | 114.1 | E197 I202 | E197-E200 PolarHBondContact O-N 3.29Å; E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 2.95Å |
| 201 | T | 49.8 | Very low | 53.9 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 38.9 | 173.3 | 38 | 0 | 0 | 0 | 0 | 113.8 | Y199 K203 | Y199-T201 VanDerWaalsContact C-N 3.3Å; Y199-T201 PolarHBondContact O-N 2.94Å; T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.9Å; T201-K203 VanDerWaalsContact O-N 3.13Å |
| 202 | I | 50.4 | Low | 53.3 | Low | 79 Ų | 79 | 131.3 Ų | 131.3 | 41% | 0.405 | 68% | 0.682 | S | S | . | * | | | trans | -79.2 | 91.8 | 155.2 | -55.3 | 175.9 | 0 | 0 | 0 | 106.4 | E200 K204 Q206 | E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 2.95Å; I202-K204 PolarHBondContact O-N 3.01Å; I202-Q206 HydrophobicContact CG2-CB 3.87Å; I202-Q206 WeakPolarHBondContact CG2-O 3.39Å |
| 203 | K | 49.9 | Very low | 52.7 | Low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | | | trans | -45.5 | 128.5 | 169.6 | -73.5 | -179.3 | 178.5 | 178 | 0 | 108.3 | T201 G205 Q206 | T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.9Å; T201-K203 VanDerWaalsContact O-N 3.13Å; K203-G205 PolarHBondContact O-N 2.8Å; K203-Q206 PolarHBondContact O-N 3.07Å |
| 204 | K | 52.8 | Low | 51.9 | Low | 222 Ų | 222 | 131.3 Ų | 131.3 | 97% | 0.965 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.4 | 108.2 | 171 | -91 | -178.6 | 174.6 | 177.1 | 0 | 108.7 | I202 | I202-K204 PolarHBondContact O-N 3.01Š|
| 205 | G | 50.1 | Low | 51.4 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.9 | -19.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | K203 T207 | K203-G205 PolarHBondContact O-N 2.8Å; G205-T207 PolarHBondContact O-N 2.92Å |
| 206 | Q | 51.3 | Low | 50.8 | Low | 134 Ų | 134 | 131 Ų | 131 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | | | trans | -87.2 | 84.6 | 174.5 | -82 | -175.6 | -21.4 | 0 | 0 | 111.4 | I202 K203 K208 | I202-Q206 HydrophobicContact CG2-CB 3.87Å; I202-Q206 WeakPolarHBondContact CG2-O 3.39Å; K203-Q206 PolarHBondContact O-N 3.07Å; Q206-K208 PolarHBondContact O-N 2.73Å |
| 207 | T | 54.4 | Low | 50.3 | Low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | trans | -68.2 | 111.4 | 162.4 | 50.5 | 0 | 0 | 0 | 0 | 108.1 | G205 Q209 | G205-T207 PolarHBondContact O-N 2.92Å; T207-Q209 PolarHBondContact O-N 3.01Å |
| 208 | K | 53.9 | Low | 49.6 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 47% | 0.47 | 71% | 0.712 | S | S | . | * | | | trans | -55 | 115 | 168.6 | -72.4 | -175.3 | 177.7 | -178.2 | 0 | 107.8 | Q206 F210 | Q206-K208 PolarHBondContact O-N 2.73Å; K208-F210 HydrophobicContact CB-CD2 3.49Å; K208-F210 VanDerWaalsContact CB-CD2 3.49Å; K208-F210 HydrophobicContact CB-CE2 3.21Å; K208-F210 HydrophobicContact CB-CG 4.44Å; K208-F210 HydrophobicContact CB-CZ 3.95Å; K208-F210 HydrophobicContact CD-CE2 3.44Å; K208-F210 VanDerWaalsContact CD-CE2 3.44Å; K208-F210 HydrophobicContact CD-CZ 3.43Å; K208-F210 VanDerWaalsContact CD-CZ 3.43Å; K208-F210 HydrophobicContact CG-CE2 3.92Å; K208-F210 HydrophobicContact CG-CZ 4.31Å; K208-F210 WeakPolarHBondContact O-CD2 3.49Å; K208-F210 PolarHBondContact O-N 2.89Å |
| 209 | Q | 52.9 | Low | 49 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | | | trans | -68.9 | 72.6 | 167.5 | -69.3 | -170 | -19 | 0 | 0 | 108.3 | T207 | T207-Q209 PolarHBondContact O-N 3.01Š|
| 210 | F | 52 | Low | 48.3 | Very low | 144 Ų | 144 | 139 Ų | 139 | 63% | 0.632 | 74% | 0.742 | S | S | * | * | | | trans | -66.3 | 137.6 | 154.8 | -62.9 | -78.3 | 0 | 0 | 0 | 105.5 | K208 | K208-F210 HydrophobicContact CB-CD2 3.49Å; K208-F210 VanDerWaalsContact CB-CD2 3.49Å; K208-F210 HydrophobicContact CB-CE2 3.21Å; K208-F210 HydrophobicContact CB-CG 4.44Å; K208-F210 HydrophobicContact CB-CZ 3.95Å; K208-F210 HydrophobicContact CD-CE2 3.44Å; K208-F210 VanDerWaalsContact CD-CE2 3.44Å; K208-F210 HydrophobicContact CD-CZ 3.43Å; K208-F210 VanDerWaalsContact CD-CZ 3.43Å; K208-F210 HydrophobicContact CG-CE2 3.92Å; K208-F210 HydrophobicContact CG-CZ 4.31Å; K208-F210 WeakPolarHBondContact O-CD2 3.49Å; K208-F210 PolarHBondContact O-N 2.89Å |
| 211 | F | 51.8 | Low | 47.6 | Very low | 203 Ų | 203 | 140 Ų | 140 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | trans | 86 | 43.7 | -174.4 | -37.6 | -67.1 | 0 | 0 | 0 | 116.9 | G213 | F211-G213 VanDerWaalsContact C-N 3.26Š|
| 212 | A | 45.2 | Very low | 47.2 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | -96.3 | 31.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N214 | A212-N214 PolarHBondContact O-N 3.45Š|
| 213 | G | 40.2 | Very low | 46.8 | Very low | 62 Ų | 62 | 147.3 Ų | 147.3 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -70.2 | 121.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | F211 A215 | F211-G213 VanDerWaalsContact C-N 3.26Å; G213-A215 PolarHBondContact O-N 3.42Å |
| 214 | N | 46.3 | Very low | 46.4 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | -44.8 | 96.7 | 175.9 | -72.7 | -23.6 | 0 | 0 | 0 | 110.2 | A212 | A212-N214 PolarHBondContact O-N 3.45Š|
| 215 | A | 43.8 | Very low | 45.9 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -69.7 | 129.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | G213 | G213-A215 PolarHBondContact O-N 3.42Š|
| 216 | P | 45.9 | Very low | 45.6 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -58.1 | 144 | -177.8 | 21.5 | -30.4 | 0 | 0 | 0 | 110.8 | K218 | P216-K218 PolarHBondContact O-N 3.18Š|
| 217 | E | 45.9 | Very low | 45.2 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -50.7 | 107.6 | -173 | -150.7 | 171.6 | -170.8 | 0 | 0 | 112.3 | T219 | E217-T219 PolarHBondContact O-N 3.11Š|
| 218 | K | 43.1 | Very low | 45.2 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 40 | 66.2 | 147.6 | -58.2 | 177.4 | -176.9 | 168 | 0 | 116.7 | P216 K220 | P216-K218 PolarHBondContact O-N 3.18Å; K218-K220 PolarHBondContact O-N 3.34Å |
| 219 | T | 45.3 | Very low | 45 | Very low | 142 Ų | 142 | 145 Ų | 145 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -83.6 | 92.8 | 145.9 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | E217 | E217-T219 PolarHBondContact O-N 3.11Š|
| 220 | K | 37 | Very low | 45.1 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | | | trans | -52.9 | 145.8 | 165.9 | -70.6 | 173.3 | 178.1 | 173.8 | 0 | 108.8 | K218 | K218-K220 PolarHBondContact O-N 3.34Š|
| 221 | K | 37.4 | Very low | 45.5 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | 99.9 | 85.3 | 168.7 | -54 | 174.7 | -175.1 | -177.6 | 0 | 114.2 | | |
| 222 | T | 42.1 | Very low | 45.8 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | -167.2 | 107.1 | 116.7 | 24.8 | 0 | 0 | 0 | 0 | 108.4 | R224 | T222-R224 PolarHBondContact O-N 2.87Š|
| 223 | K | 41.1 | Very low | 46.4 | Very low | 220 Ų | 220 | 148 Ų | 148 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | | | trans | -70.3 | 77.6 | 162.8 | -68.9 | -179.9 | 179 | 179.2 | 0 | 107.5 | | |
| 224 | R | 42.9 | Very low | 47.2 | Very low | 218 Ų | 218 | 151.9 Ų | 151.9 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | -104.6 | 104.2 | 157.4 | -86.7 | -168.6 | 173.1 | -140.6 | -0.1 | 105.7 | T222 T226 | T222-R224 PolarHBondContact O-N 2.87Å; R224-T226 VanDerWaalsContact C-N 3.34Å; R224-T226 PolarHBondContact O-N 2.97Å; R224-T226 PolarHBondContact O-OG1 2.69Å |
| 225 | G | 41.9 | Very low | 47.9 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | -58.1 | 101.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | S227 | G225-S227 VanDerWaalsContact C-N 3.26Å; G225-S227 PolarHBondContact O-N 2.84Å |
| 226 | T | 43.3 | Very low | 48.7 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | -71.8 | 89.2 | 172.1 | -38.9 | 0 | 0 | 0 | 0 | 106.1 | R224 | R224-T226 VanDerWaalsContact C-N 3.34Å; R224-T226 PolarHBondContact O-N 2.97Å; R224-T226 PolarHBondContact O-OG1 2.69Å |
| 227 | S | 43.8 | Very low | 49.6 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | -58.1 | 130.2 | 169.2 | 58.2 | 0 | 0 | 0 | 0 | 107.7 | G225 V229 | G225-S227 VanDerWaalsContact C-N 3.26Å; G225-S227 PolarHBondContact O-N 2.84Å; S227-V229 PolarHBondContact O-N 3.1Å; S227-V229 VanDerWaalsContact O-N 3.08Å |
| 228 | P | 52.5 | Low | 50.9 | Low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | trans | -57.9 | 120.4 | 178.6 | 21.5 | -30.5 | 0 | 0 | 0 | 108.9 | R230 | P228-R230 PolarHBondContact O-N 2.92Š|
| 229 | V | 50.3 | Low | 51.5 | Low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | | | trans | -59.6 | 114.3 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | S227 R231 | S227-V229 PolarHBondContact O-N 3.1Å; S227-V229 VanDerWaalsContact O-N 3.08Å; V229-R231 PolarHBondContact O-N 3.13Å |
| 230 | R | 55.6 | Low | 53.1 | Low | 221 Ų | 221 | 139 Ų | 139 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | | | trans | -54.5 | 126.2 | 175.2 | -74.2 | 175.2 | 120.3 | 150.3 | -1.9 | 107.4 | P228 T232 | P228-R230 PolarHBondContact O-N 2.92Å; R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.14Å |
| 231 | R | 60 | Low | 54.9 | Low | 241 Ų | 241 | 138.9 Ų | 138.9 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | | | trans | -61.4 | 98.8 | 167 | -75.6 | -179.4 | 169.9 | 176 | -3.9 | 106.6 | V229 | V229-R231 PolarHBondContact O-N 3.13Š|
| 232 | T | 58.5 | Low | 55.9 | Low | 70 Ų | 70 | 134.4 Ų | 134.4 | 43% | 0.429 | 71% | 0.713 | S | S | . | * | | | trans | -80.6 | 118.4 | 170.2 | 50.1 | 0 | 0 | 0 | 0 | 107 | R230 Y234 L247 | R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.14Å; T232-Y234 WeakPolarHBondContact O-CD1 3.4Å; T232-Y234 PolarHBondContact O-N 3.02Å; T232-L247 HydrophobicContact CG2-CD2 3.99Å |
| 233 | D | 57.7 | Low | 57.4 | Low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | | | trans | -66.3 | 106.4 | 170.5 | -64.1 | -35 | 0 | 0 | 0 | 107.6 | | |
| 234 | Y | 57.9 | Low | 58.9 | Low | 144 Ų | 144 | 122 Ų | 122 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.9 | 174.1 | 50.9 | -93.1 | 0 | 0 | 0 | 108.7 | T232 T236 F245 F246 | T232-Y234 WeakPolarHBondContact O-CD1 3.4Å; T232-Y234 PolarHBondContact O-N 3.02Å; Y234-T236 HydrophobicContact CD2-CG2 3.5Å; Y234-T236 HydrophobicContact CE2-CG2 3.72Å; Y234-F245 AromaticContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CE1 4.21Å; Y234-F245 HydrophobicContact CE2-CD1 4.2Å; Y234-F245 HydrophobicContact CE2-CE1 4.22Å; Y234-F245 HydrophobicContact CG-CD1 4.26Å; Y234-F246 CarbonylContact C-O 3.56Å; Y234-F246 VanDerWaalsContact CA-O 3.23Å; Y234-F246 WeakPolarHBondContact CA-O 3.24Å |
| 235 | A | 61 | Low | 60.2 | Low | 45 Ų | 45 | 117.8 Ų | 117.8 | 37% | 0.372 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 126.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | F246 | A235-F246 HydrophobicContact CB-CB 4.28Å; A235-F246 PolarHBondContact N-O 2.96Å; A235-F246 PolarHBondContact O-N 2.93Å |
| 236 | T | 60.4 | Low | 61.6 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 132.1 | 171.8 | 60 | 0 | 0 | 0 | 0 | 109.8 | Y234 A244 F245 | Y234-T236 HydrophobicContact CD2-CG2 3.5Å; Y234-T236 HydrophobicContact CE2-CG2 3.72Å; T236-A244 WeakPolarHBondContact CA-O 3.37Å; T236-F245 HydrophobicContact CG2-CD1 3.56Å; T236-F245 HydrophobicContact CG2-CE1 3.57Å |
| 237 | L | 64.6 | Low | 62.6 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.2 | 168.3 | -173.8 | 70 | 0 | 0 | 0 | 108.2 | A244 F246 | L237-A244 PolarHBondContact N-O 3.46Å; L237-A244 PolarHBondContact O-N 2.92Å; L237-F246 HydrophobicContact CB-CE2 3.75Å; L237-F246 HydrophobicContact CD2-CE2 4.33Å |
| 238 | K | 73.5 | Confident | 63.3 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.8 | 170.8 | -69 | -149.1 | 175.4 | -167.2 | 0 | 109.9 | T243 | K238-T243 VanDerWaalsContact CE-OG1 3.31Å; K238-T243 WeakPolarHBondContact CE-OG1 3.08Å; K238-T243 HydrophobicContact CG-CG2 4.02Å |
| 239 | H | 55.8 | Low | 63.7 | Low | 156 Ų | 156 | 128.3 Ų | 128.3 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 107 | 169.2 | -170.8 | 71.5 | 0 | 0 | 0 | 109 | N241 T242 | H239-N241 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact N-O 2.96Å; H239-T242 PolarHBondContact O-N 3.47Å |
| 240 | G | 76.9 | Confident | 64.4 | Low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | -128 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | T242 | G240-T242 VanDerWaalsContact C-N 3.28Å; G240-T242 PolarHBondContact O-N 2.91Å |
| 241 | N | 76.7 | Confident | 64.8 | Low | 176 Ų | 176 | 123 Ų | 123 | 94% | 0.941 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -0.9 | 177.3 | -69.5 | -5.1 | 0 | 0 | 0 | 113.5 | H239 | H239-N241 PolarHBondContact O-N 3.02Š|
| 242 | T | 57.2 | Low | 65.1 | Low | 99 Ų | 99 | 116.4 Ų | 116.4 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.1 | -177.9 | -49.2 | 0 | 0 | 0 | 0 | 110.3 | H239 G240 | H239-T242 PolarHBondContact N-O 2.96Å; H239-T242 PolarHBondContact O-N 3.47Å; G240-T242 VanDerWaalsContact C-N 3.28Å; G240-T242 PolarHBondContact O-N 2.91Å |
| 243 | T | 74.7 | Confident | 65.5 | Low | 48 Ų | 48 | 119.2 Ų | 119.2 | 29% | 0.294 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 117.5 | 173 | -54 | 0 | 0 | 0 | 0 | 108.7 | K238 F245 | K238-T243 VanDerWaalsContact CE-OG1 3.31Å; K238-T243 WeakPolarHBondContact CE-OG1 3.08Å; K238-T243 HydrophobicContact CG-CG2 4.02Å; T243-F245 HydrophobicContact CG2-CE1 4.44Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.92Å |
| 244 | A | 71.8 | Confident | 66 | Low | 42 Ų | 42 | 118.3 Ų | 118.3 | 35% | 0.347 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | T236 L237 F246 | T236-A244 WeakPolarHBondContact CA-O 3.37Å; L237-A244 PolarHBondContact N-O 3.46Å; L237-A244 PolarHBondContact O-N 2.92Å; A244-F246 HydrophobicContact CB-CE2 4.02Å; A244-F246 HydrophobicContact CB-CZ 4.24Å |
| 245 | F | 70.7 | Confident | 66.5 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.7 | 175.7 | -61.1 | -93 | 0 | 0 | 0 | 108.7 | Y234 T236 T243 | Y234-F245 AromaticContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CE1 4.21Å; Y234-F245 HydrophobicContact CE2-CD1 4.2Å; Y234-F245 HydrophobicContact CE2-CE1 4.22Å; Y234-F245 HydrophobicContact CG-CD1 4.26Å; T236-F245 HydrophobicContact CG2-CD1 3.56Å; T236-F245 HydrophobicContact CG2-CE1 3.57Å; T243-F245 HydrophobicContact CG2-CE1 4.44Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.92Å |
| 246 | F | 70 | Confident | 66.9 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 48% | 0.482 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 115.3 | 174.9 | -60.5 | -86.8 | 0 | 0 | 0 | 108.6 | Y234 A235 L237 A244 H248 | Y234-F246 CarbonylContact C-O 3.56Å; Y234-F246 VanDerWaalsContact CA-O 3.23Å; Y234-F246 WeakPolarHBondContact CA-O 3.24Å; A235-F246 HydrophobicContact CB-CB 4.28Å; A235-F246 PolarHBondContact N-O 2.96Å; A235-F246 PolarHBondContact O-N 2.93Å; L237-F246 HydrophobicContact CB-CE2 3.75Å; L237-F246 HydrophobicContact CD2-CE2 4.33Å; A244-F246 HydrophobicContact CB-CE2 4.02Å; A244-F246 HydrophobicContact CB-CZ 4.24Å; F246-H248 PolarHBondContact O-N 3.34Å |
| 247 | L | 64.4 | Low | 67.4 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.3 | 166.9 | -74.6 | 116 | 0 | 0 | 0 | 108.7 | T232 K249 | T232-L247 HydrophobicContact CG2-CD2 3.99Å; L247-K249 PolarHBondContact O-N 3.35Å |
| 248 | H | 59.8 | Low | 67.6 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | | | trans | -65.6 | 121.8 | 161.6 | -94.1 | -95.8 | 0 | 0 | 0 | 108.5 | F246 | F246-H248 PolarHBondContact O-N 3.34Š|
| 249 | K | 60.3 | Low | 67.1 | Low | 273 Ų | 273 | 124.3 Ų | 124.3 | 100% | 1.187 | 65% | 0.65 | S | S | * | * | | | trans | -84.6 | 0 | 167.3 | -75.7 | -171.8 | 178.5 | -178 | 0 | 110 | L247 | L247-K249 PolarHBondContact O-N 3.35Š|