| 1 | M | 57.1 | Low | 64.1 | Low | 230 Ų | 230 | 146.7 Ų | 146.7 | 100% | 1.133 | 73% | 0.731 | S | S | * | * | | | | 0 | -4.7 | 0 | -63.9 | -97.9 | -101 | 0 | 0 | 113.8 | | |
| 2 | S | 61.8 | Low | 63.9 | Low | 93 Ų | 93 | 148.4 Ų | 148.4 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | -83.4 | -26.2 | -173.5 | -167.8 | 0 | 0 | 0 | 0 | 114.8 | Q4 Q5 | S2-Q4 PolarHBondContact O-N 3.38Å; S2-Q4 VanDerWaalsContact C-N 3.35Å; S2-Q5 PolarHBondContact O-N 3.35Å |
| 3 | S | 62.8 | Low | 63.9 | Low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -69.3 | -25.8 | -176.8 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | Q5 | S3-Q5 VanDerWaalsContact C-N 3.34Å |
| 4 | Q | 65.7 | Low | 64 | Low | 128 Ų | 128 | 141.3 Ų | 141.3 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -75 | -28.2 | -179.1 | -144.5 | -112.2 | 99.6 | 0 | 0 | 111.7 | S2 | S2-Q4 PolarHBondContact O-N 3.38Å; S2-Q4 VanDerWaalsContact C-N 3.35Å |
| 5 | Q | 66.1 | Low | 64 | Low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -74.6 | -27.7 | 179.2 | -155.2 | 175.3 | 24.2 | 0 | 0 | 112.3 | S2 S3 | S2-Q5 PolarHBondContact O-N 3.35Å; S3-Q5 VanDerWaalsContact C-N 3.34Å |
| 6 | Q | 66.4 | Low | 64 | Low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -75.5 | -26.4 | -178.9 | -146.2 | 173.3 | 8.6 | 0 | 0 | 112.8 | | |
| 7 | Q | 66 | Low | 63.9 | Low | 143 Ų | 143 | 147.6 Ų | 147.6 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 176.3 | -81.7 | -176.7 | -20.3 | 0 | 0 | 113.1 | Q9 Q10 | Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 3.5Å; Q7-Q10 PolarHBondContact O-N 3.48Å |
| 8 | Q | 67.1 | Low | 63.6 | Low | 131 Ų | 131 | 142.9 Ų | 142.9 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -68.4 | -31.6 | 179.2 | -70.6 | -171.9 | 21.1 | 0 | 0 | 112.5 | Q10 Q11 | Q8-Q10 PolarHBondContact O-N 3.45Å; Q8-Q11 PolarHBondContact O-N 3.44Å |
| 9 | Q | 64.6 | Low | 63.4 | Low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -72 | -28.9 | -178.9 | -153.5 | -178.9 | 86.8 | 0 | 0 | 112.7 | Q7 | Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 3.5Å |
| 10 | Q | 63.4 | Low | 63.3 | Low | 159 Ų | 159 | 146.2 Ų | 146.2 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -75.9 | -27.3 | 178.3 | -67.5 | -152 | 83.3 | 0 | 0 | 113.8 | Q7 Q8 H12 | Q7-Q10 PolarHBondContact O-N 3.48Å; Q8-Q10 PolarHBondContact O-N 3.45Å; Q10-H12 VanDerWaalsContact C-N 3.3Å |
| 11 | Q | 63.7 | Low | 63.2 | Low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -73.4 | -21.7 | 176.4 | -97 | -91.7 | -26.1 | 0 | 0 | 113 | Q8 | Q8-Q11 PolarHBondContact O-N 3.44Å |
| 12 | H | 62.3 | Low | 63.4 | Low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 2.8 | -176.3 | -143.1 | -87.2 | 0 | 0 | 0 | 114 | Q10 P14 | Q10-H12 VanDerWaalsContact C-N 3.3Å; H12-P14 VanDerWaalsContact O-CD 3.23Å; H12-P14 WeakPolarHBondContact O-CD 3.23Å |
| 13 | C | 63.9 | Low | 63.6 | Low | 90 Ų | 90 | 145.5 Ų | 145.5 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -75.1 | 113.2 | 167 | -71.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 14 | P | 65.8 | Low | 64 | Low | 107 Ų | 107 | 149.9 Ų | 149.9 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | trans | -56.2 | 137.5 | 170.3 | 22.9 | -30.1 | 0 | 0 | 0 | 107.5 | H12 Q16 | H12-P14 VanDerWaalsContact O-CD 3.23Å; H12-P14 WeakPolarHBondContact O-CD 3.23Å; P14-Q16 PolarHBondContact O-N 2.86Å |
| 15 | P | 63.8 | Low | 64.3 | Low | 115 Ų | 115 | 151.1 Ų | 151.1 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | | | trans | -54.9 | 115 | 175.4 | 21.2 | -29.5 | 0 | 0 | 0 | 105.9 | R17 | P15-R17 PolarHBondContact O-N 2.84Š|
| 16 | Q | 63.5 | Low | 65 | Low | 191 Ų | 191 | 149.1 Ų | 149.1 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -59.1 | 91 | 175.2 | -171.1 | 179.3 | -6.6 | 0 | 0 | 104 | P14 A18 | P14-Q16 PolarHBondContact O-N 2.86Å; Q16-A18 PolarHBondContact O-N 2.77Å |
| 17 | R | 62.4 | Low | 65.7 | Low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | -63.2 | 91.4 | 179.5 | -86.3 | -128.7 | -97.2 | 172.8 | -9.4 | 104 | P15 Q19 | P15-R17 PolarHBondContact O-N 2.84Å; R17-Q19 VanDerWaalsContact C-N 3.34Å; R17-Q19 PolarHBondContact O-N 2.88Å |
| 18 | A | 59.2 | Low | 66.4 | Low | 63 Ų | 63 | 150 Ų | 150 | 52% | 0.521 | 76% | 0.756 | S | S | . | * | | | trans | 10 | 87.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q16 Q20 | Q16-A18 PolarHBondContact O-N 2.77Å; A18-Q20 HydrophobicContact CB-CB 3.92Å; A18-Q20 PolarHBondContact O-N 2.65Å; A18-Q20 HydrophobicContact CB-CG 3.82Å |
| 19 | Q | 59.3 | Low | 67.2 | Low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | | | trans | -59.2 | 17.4 | 151.7 | -65.5 | -84 | 99.6 | 0 | 0 | 110.4 | R17 Q21 | R17-Q19 VanDerWaalsContact C-N 3.34Å; R17-Q19 PolarHBondContact O-N 2.88Å; Q19-Q21 PolarHBondContact O-N 2.65Å |
| 20 | Q | 60.5 | Low | 68.1 | Low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -58.5 | 89.2 | 157.7 | -64.5 | -146.8 | 86.7 | 0 | 0 | 106.2 | A18 Q22 | A18-Q20 HydrophobicContact CB-CB 3.92Å; A18-Q20 PolarHBondContact O-N 2.65Å; A18-Q20 HydrophobicContact CB-CG 3.82Å; Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 PolarHBondContact O-N 2.7Å |
| 21 | Q | 61.9 | Low | 68.9 | Low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 29.7 | 72.1 | 141.9 | -70 | 164.4 | 56.7 | 0 | 0 | 110.3 | Q19 V23 | Q19-Q21 PolarHBondContact O-N 2.65Å; Q21-V23 PolarHBondContact O-N 2.88Å |
| 22 | Q | 62 | Low | 69.7 | Low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | -60 | 90.2 | 147.4 | -164.8 | 176.7 | -3.5 | 0 | 0 | 102.3 | Q20 K24 | Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 PolarHBondContact O-N 2.7Å; Q22-K24 WeakPolarHBondContact O-CG 3.42Å; Q22-K24 PolarHBondContact O-N 2.7Å |
| 23 | V | 65.3 | Low | 70.5 | Confident | 111 Ų | 111 | 143.8 Ų | 143.8 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -47.8 | 99.3 | 172.9 | -98.3 | 0 | 0 | 0 | 0 | 102.8 | Q21 Q25 | Q21-V23 PolarHBondContact O-N 2.88Å; V23-Q25 PolarHBondContact O-N 2.81Å |
| 24 | K | 71.1 | Confident | 70.9 | Confident | 189 Ų | 189 | 145.5 Ų | 145.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -63.2 | 106.6 | 177.4 | -54.8 | -165.9 | -168.2 | -154.6 | 0 | 100.8 | Q22 P26 | Q22-K24 WeakPolarHBondContact O-CG 3.42Å; Q22-K24 PolarHBondContact O-N 2.7Å; K24-P26 VanDerWaalsContact O-N 3.13Å |
| 25 | Q | 71.6 | Confident | 71.1 | Confident | 154 Ų | 154 | 148.9 Ų | 148.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -44.2 | 129.2 | 179.6 | -82.8 | -72.3 | 93.2 | 0 | 0 | 106.3 | V23 C27 | V23-Q25 PolarHBondContact O-N 2.81Å; Q25-C27 PolarHBondContact O-N 3.16Å |
| 26 | P | 80.2 | Confident | 71.4 | Confident | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 118.2 | -178.1 | 18.7 | -29.7 | 0 | 0 | 0 | 107.1 | K24 Q28 | K24-P26 VanDerWaalsContact O-N 3.13Å; P26-Q28 PolarHBondContact O-N 2.91Å; P26-Q28 VanDerWaalsContact O-N 3.16Å |
| 27 | C | 81.7 | Confident | 71.6 | Confident | 121 Ų | 121 | 148.5 Ų | 148.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.8 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 107 | Q25 | Q25-C27 PolarHBondContact O-N 3.16Š|
| 28 | Q | 81.8 | Confident | 72 | Confident | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133 | 174 | -109.5 | -165 | -4.9 | 0 | 0 | 108.3 | P26 | P26-Q28 PolarHBondContact O-N 2.91Å; P26-Q28 VanDerWaalsContact O-N 3.16Å |
| 29 | P | 82.6 | Confident | 72.6 | Confident | 104 Ų | 104 | 143.3 Ų | 143.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.3 | 172.6 | 25.7 | -32.5 | 0 | 0 | 0 | 109.2 | | |
| 30 | P | 83.6 | Confident | 72.9 | Confident | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 144.5 | 176.1 | 24.9 | -33.2 | 0 | 0 | 0 | 109.8 | V32 | P30-V32 VanDerWaalsContact O-N 3.14Å; P30-V32 PolarHBondContact O-N 3.14Å |
| 31 | P | 81.8 | Confident | 73.3 | Confident | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124 | 178.7 | 21.7 | -30.7 | 0 | 0 | 0 | 109.3 | K33 | P31-K33 PolarHBondContact O-N 3.02Š|
| 32 | V | 80.4 | Confident | 73.7 | Confident | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -66.7 | 109 | 174 | -159.8 | 0 | 0 | 0 | 0 | 105.7 | P30 C34 | P30-V32 VanDerWaalsContact O-N 3.14Å; P30-V32 PolarHBondContact O-N 3.14Å; V32-C34 PolarHBondContact O-N 2.86Å |
| 33 | K | 77.8 | Confident | 73.9 | Confident | 191 Ų | 191 | 140.8 Ų | 140.8 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -60.4 | 111.7 | 169.5 | -60.2 | -174.6 | -118.6 | -176.5 | 0 | 105.2 | P31 Q35 | P31-K33 PolarHBondContact O-N 3.02Å; K33-Q35 PolarHBondContact O-N 2.97Å |
| 34 | C | 72.9 | Confident | 74 | Confident | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -49.3 | 110.6 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 106.8 | V32 E36 | V32-C34 PolarHBondContact O-N 2.86Å; C34-E36 PolarHBondContact O-N 2.86Å |
| 35 | Q | 70 | Confident | 73.8 | Confident | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -65.4 | 98.6 | 164.5 | -75.1 | -134.6 | 105.3 | 0 | 0 | 104 | K33 T37 | K33-Q35 PolarHBondContact O-N 2.97Å; Q35-T37 PolarHBondContact O-N 2.71Å |
| 36 | E | 69.6 | Low | 73.5 | Confident | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -56.1 | 93.5 | 166.1 | -171 | -177.3 | 103.9 | 0 | 0 | 105.3 | C34 C38 | C34-E36 PolarHBondContact O-N 2.86Å; E36-C38 PolarHBondContact O-N 2.84Å |
| 37 | T | 68.8 | Low | 73 | Confident | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -69.1 | 95 | 170.7 | -67.1 | 0 | 0 | 0 | 0 | 103.4 | Q35 A39 | Q35-T37 PolarHBondContact O-N 2.71Å; T37-A39 VanDerWaalsContact C-N 3.27Å; T37-A39 PolarHBondContact O-N 2.84Å |
| 38 | C | 70.4 | Confident | 72.3 | Confident | 107 Ų | 107 | 133.4 Ų | 133.4 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | | | trans | -57.8 | 101 | 167.2 | -172 | 0 | 0 | 0 | 0 | 105.6 | E36 | E36-C38 PolarHBondContact O-N 2.84Š|
| 39 | A | 71.4 | Confident | 71.5 | Confident | 72 Ų | 72 | 132.6 Ų | 132.6 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | | | trans | -55.2 | 126.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | T37 K41 | T37-A39 VanDerWaalsContact C-N 3.27Å; T37-A39 PolarHBondContact O-N 2.84Å; A39-K41 PolarHBondContact O-N 2.83Å |
| 40 | P | 66.5 | Low | 70.7 | Confident | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -57.1 | 116.9 | 175.1 | 21.1 | -29.6 | 0 | 0 | 0 | 106.9 | T42 | P40-T42 VanDerWaalsContact C-N 3.35Å; P40-T42 PolarHBondContact O-N 2.94Å |
| 41 | K | 67.8 | Low | 69.8 | Low | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | trans | -57.5 | 103.7 | 174 | -82.2 | 179.5 | 172.4 | 174.2 | 0 | 106.9 | A39 K43 | A39-K41 PolarHBondContact O-N 2.83Å; K41-K43 PolarHBondContact O-N 2.82Å |
| 42 | T | 70.6 | Confident | 69.1 | Low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -56.8 | 105.9 | 170.4 | -51.3 | 0 | 0 | 0 | 0 | 106.5 | P40 D44 | P40-T42 VanDerWaalsContact C-N 3.35Å; P40-T42 PolarHBondContact O-N 2.94Å; T42-D44 PolarHBondContact O-N 2.89Å |
| 43 | K | 66.8 | Low | 68.2 | Low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | -61.1 | 119.3 | 160.8 | -109.2 | -159.6 | 174.3 | -167 | 0 | 105.3 | K41 | K41-K43 PolarHBondContact O-N 2.82Š|
| 44 | D | 67.6 | Low | 67.8 | Low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -35.6 | 120.4 | 170.2 | -175.2 | -103.1 | 0 | 0 | 0 | 110 | T42 C46 | T42-D44 PolarHBondContact O-N 2.89Å; D44-C46 PolarHBondContact O-N 2.88Å |
| 45 | P | 66.1 | Low | 67.6 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -67.5 | 96.4 | 169.2 | 27.6 | -28.9 | 0 | 0 | 0 | 105.4 | A47 | P45-A47 PolarHBondContact O-N 2.83Š|
| 46 | C | 66.3 | Low | 67.5 | Low | 102 Ų | 102 | 137 Ų | 137 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | | | trans | -35.3 | 111.6 | 175.8 | -157.4 | 0 | 0 | 0 | 0 | 108.3 | D44 | D44-C46 PolarHBondContact O-N 2.88Š|
| 47 | A | 69.6 | Low | 67.5 | Low | 69 Ų | 69 | 139.1 Ų | 139.1 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | | | trans | -48 | 142.4 | -174 | 0 | 0 | 0 | 0 | 0 | 109.8 | P45 Q49 | P45-A47 PolarHBondContact O-N 2.83Å; A47-Q49 PolarHBondContact O-N 2.92Å |
| 48 | P | 66.5 | Low | 67 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -53.9 | 110.6 | 177.9 | -19.8 | 29.6 | 0 | 0 | 0 | 107.9 | V50 | P48-V50 PolarHBondContact O-N 3.18Š|
| 49 | Q | 64.1 | Low | 66.3 | Low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -58.2 | 112.1 | 177.6 | -68.7 | -170.2 | 38.5 | 0 | 0 | 106.4 | A47 K51 | A47-Q49 PolarHBondContact O-N 2.92Å; Q49-K51 PolarHBondContact O-N 3.09Å |
| 50 | V | 66.3 | Low | 65.8 | Low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -56 | 98.4 | 167 | 140.7 | 0 | 0 | 0 | 0 | 105.5 | P48 K52 | P48-V50 PolarHBondContact O-N 3.18Å; V50-K52 PolarHBondContact O-N 2.76Å; V50-K52 VanDerWaalsContact O-N 3.09Å |
| 51 | K | 65 | Low | 65.7 | Low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -62.2 | 116.9 | 169.8 | -67.8 | -177.5 | -178.9 | 179.9 | 0 | 104.5 | Q49 Q53 | Q49-K51 PolarHBondContact O-N 3.09Å; K51-Q53 PolarHBondContact O-N 2.99Å; K51-Q53 VanDerWaalsContact O-N 3.14Å |
| 52 | K | 66.4 | Low | 65.2 | Low | 188 Ų | 188 | 138.4 Ų | 138.4 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | trans | -40 | 122.5 | -179.2 | -65.3 | -167.3 | 177 | -173.1 | 0 | 109.4 | V50 C54 | V50-K52 PolarHBondContact O-N 2.76Å; V50-K52 VanDerWaalsContact O-N 3.09Å; K52-C54 PolarHBondContact O-N 3.14Å |
| 53 | Q | 63.1 | Low | 64.8 | Low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -54.3 | 110.1 | 166.3 | -135 | -176.3 | 91.8 | 0 | 0 | 106.7 | K51 | K51-Q53 PolarHBondContact O-N 2.99Å; K51-Q53 VanDerWaalsContact O-N 3.14Å |
| 54 | C | 67.4 | Low | 64.5 | Low | 107 Ų | 107 | 135.4 Ų | 135.4 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138.5 | 166.8 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | K52 | K52-C54 PolarHBondContact O-N 3.14Š|
| 55 | P | 68.9 | Low | 64 | Low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.3 | 167.7 | -18.4 | 29.6 | 0 | 0 | 0 | 109 | K57 | P55-K57 PolarHBondContact O-N 3.16Å; P55-K57 VanDerWaalsContact O-N 3.15Å |
| 56 | P | 69.3 | Low | 63.3 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 124.4 | 174.4 | -23.2 | 32.4 | 0 | 0 | 0 | 109.6 | G58 | P56-G58 PolarHBondContact O-N 3.15Å; P56-G58 VanDerWaalsContact O-N 3.16Å |
| 57 | K | 68.3 | Low | 62.6 | Low | 222 Ų | 222 | 140.7 Ų | 140.7 | 97% | 0.965 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -74.7 | 107.2 | -177 | -153 | 163.5 | -176.7 | 177.7 | 0 | 108.2 | P55 | P55-K57 PolarHBondContact O-N 3.16Å; P55-K57 VanDerWaalsContact O-N 3.15Å |
| 58 | G | 59 | Low | 62 | Low | 57 Ų | 57 | 142.2 Ų | 142.2 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | 117.2 | 87.5 | 157 | 0 | 0 | 0 | 0 | 0 | 115.9 | P56 | P56-G58 PolarHBondContact O-N 3.15Å; P56-G58 VanDerWaalsContact O-N 3.16Å |
| 59 | T | 55 | Low | 61.4 | Low | 141 Ų | 141 | 142.6 Ų | 142.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -88.6 | 101.8 | 140 | -55.4 | 0 | 0 | 0 | 0 | 106.2 | I61 | T59-I61 PolarHBondContact O-N 3.35Š|
| 60 | I | 62.3 | Low | 61.2 | Low | 149 Ų | 149 | 138.4 Ų | 138.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -63 | 124.5 | 171.2 | -34.6 | -72.2 | 0 | 0 | 0 | 106.9 | | |
| 61 | I | 62.8 | Low | 60.7 | Low | 143 Ų | 143 | 140.7 Ų | 140.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 129.4 | 174.6 | -60.5 | -177.4 | 0 | 0 | 0 | 108.6 | T59 A63 | T59-I61 PolarHBondContact O-N 3.35Å; I61-A63 PolarHBondContact O-N 2.92Å |
| 62 | P | 57.2 | Low | 60.2 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -66.1 | 109.4 | 163 | -13.9 | 28.1 | 0 | 0 | 0 | 108.1 | Q64 | P62-Q64 PolarHBondContact O-N 3.06Š|
| 63 | A | 62.8 | Low | 59.8 | Low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -57.3 | 96.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I61 | I61-A63 PolarHBondContact O-N 2.92Š|
| 64 | Q | 60.3 | Low | 59.6 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -151.7 | 57.3 | 162.1 | -68.2 | -63.5 | 10.6 | 0 | 0 | 110.8 | P62 | P62-Q64 PolarHBondContact O-N 3.06Š|
| 65 | Q | 57.6 | Low | 59.4 | Low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -102.4 | 79.7 | 156.5 | -111.5 | -88.1 | 44.6 | 0 | 0 | 106.8 | C67 | Q65-C67 PolarHBondContact O-N 3.18Š|
| 66 | K | 52.3 | Low | 58.9 | Low | 173 Ų | 173 | 136.7 Ų | 136.7 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -67.3 | 104.3 | 171.8 | 178.7 | 93.2 | -177.1 | -163.7 | 0 | 108.4 | | |
| 67 | C | 50 | Low | 58.4 | Low | 104 Ų | 104 | 140.3 Ų | 140.3 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -90.9 | 144.7 | 143.2 | -73.5 | 0 | 0 | 0 | 0 | 106.8 | Q65 | Q65-C67 PolarHBondContact O-N 3.18Š|
| 68 | P | 56.7 | Low | 57.6 | Low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | | -145.1 | 153.6 | 53 | 38.4 | -19.4 | 0 | 0 | 0 | 115.4 | | |
| 69 | S | 54.2 | Low | 57.4 | Low | 131 Ų | 131 | 149.5 Ų | 149.5 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -131.5 | 104.5 | 146.9 | -86.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 70 | A | 59.9 | Low | 57.5 | Low | 79 Ų | 79 | 149.9 Ų | 149.9 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | trans | -77.3 | 148.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | Q | 57.4 | Low | 57.2 | Low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | 65.6 | 125.1 | 157.3 | -59.7 | 172.8 | 7 | 0 | 0 | 114.6 | | |
| 72 | Q | 52.8 | Low | 56.9 | Low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | | -157 | 136.3 | 66.3 | -75.1 | 175.2 | 39.9 | 0 | 0 | 110.9 | | |
| 73 | A | 59.4 | Low | 56.9 | Low | 90 Ų | 90 | 152.5 Ų | 152.5 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | | | trans | -81.3 | 147.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 74 | P | 58.1 | Low | 56.5 | Low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -103.1 | 107.6 | 144.4 | 6.8 | 11.8 | 0 | 0 | 0 | 108.6 | | |
| 75 | K | 63.3 | Low | 56.3 | Low | 198 Ų | 198 | 155.6 Ų | 155.6 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -54 | 132.5 | 152.6 | -78.9 | 175.7 | 168 | 174.2 | 0 | 108.2 | | |
| 76 | S | 58.7 | Low | 56.2 | Low | 111 Ų | 111 | 154.1 Ų | 154.1 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | trans | 169.5 | 100 | 133.2 | -78.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 77 | K | 57.5 | Low | 56.5 | Low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | | | | 83.2 | 99.5 | 100.8 | -86.4 | -159.5 | 175.8 | -176 | 0 | 113.4 | | |
| 78 | Q | 52.6 | Low | 57 | Low | 196 Ų | 196 | 156.7 Ų | 156.7 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | | | trans | -40.9 | 127.1 | 147.6 | 179.6 | -179.9 | -46.7 | 0 | 0 | 111.5 | | |
| 79 | K | 53.6 | Low | 57.1 | Low | 275 Ų | 275 | 161.8 Ų | 161.8 | 100% | 1.196 | 86% | 0.863 | S | S | * | * | | | trans | -147.5 | 0 | 146.1 | -170.9 | -168.6 | 174.8 | -160.7 | 0 | 107.9 | | |