| 1 | M | 65.8 | Low | 69.6 | Low | 242 Ų | 242 | 149.3 Ų | 149.3 | 100% | 1.192 | 80% | 0.803 | S | S | * | * | | | | 0 | 106 | 0 | -65.8 | 145.6 | 79.4 | 0 | 0 | 105 | L3 | M1-L3 PolarHBondContact O-N 2.62Š|
| 2 | D | 69.1 | Low | 69 | Low | 137 Ų | 137 | 156.7 Ų | 156.7 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -81.2 | 102.5 | -175.7 | -164.9 | -0.9 | 0 | 0 | 0 | 108.6 | F4 | D2-F4 PolarHBondContact O-N 2.91Š|
| 3 | L | 79.1 | Confident | 68.2 | Low | 144 Ų | 144 | 150.6 Ų | 150.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -9 | -171.8 | -170.7 | 59.3 | 0 | 0 | 0 | 112.6 | M1 | M1-L3 PolarHBondContact O-N 2.62Š|
| 4 | F | 70.1 | Confident | 66.9 | Low | 167 Ų | 167 | 148.7 Ų | 148.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -6.6 | -178.4 | -67.9 | -82.8 | 0 | 0 | 0 | 114 | D2 | D2-F4 PolarHBondContact O-N 2.91Š|
| 5 | G | 69.6 | Low | 66.2 | Low | 65 Ų | 65 | 154.1 Ų | 154.1 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -12.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 6 | D | 71.9 | Confident | 64.7 | Low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 0.1 | -179.1 | -103.3 | -5 | 0 | 0 | 0 | 113.2 | | |
| 7 | L | 76 | Confident | 63.5 | Low | 117 Ų | 117 | 150.2 Ų | 150.2 | 61% | 0.613 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -82.6 | 128.5 | 173.6 | -92.9 | 123.3 | 0 | 0 | 0 | 109.7 | E9 | L7-E9 PolarHBondContact O-N 3.46Š|
| 8 | P | 71.4 | Confident | 62.8 | Low | 113 Ų | 113 | 148.1 Ų | 148.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131 | 173.7 | 25.2 | -32.4 | 0 | 0 | 0 | 109.1 | | |
| 9 | E | 73.7 | Confident | 62 | Low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.2 | 170 | -76.4 | -173.3 | 153.9 | 0 | 0 | 108.7 | L7 E11 | L7-E9 PolarHBondContact O-N 3.46Å; E9-E11 PolarHBondContact O-N 3.12Å; E9-E11 VanDerWaalsContact O-N 3.12Å |
| 10 | P | 64.6 | Low | 61.3 | Low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.3 | 176.4 | 24.2 | -32.2 | 0 | 0 | 0 | 108.6 | R12 | P10-R12 PolarHBondContact O-N 3.03Å; P10-R12 VanDerWaalsContact O-N 3.09Å |
| 11 | E | 54.2 | Low | 60.4 | Low | 192 Ų | 192 | 149.7 Ų | 149.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 122.3 | 177.5 | -82.1 | -164.2 | 149.8 | 0 | 0 | 109.4 | E9 A13 | E9-E11 PolarHBondContact O-N 3.12Å; E9-E11 VanDerWaalsContact O-N 3.12Å; E11-A13 PolarHBondContact O-N 3.34Å |
| 12 | R | 62.1 | Low | 59.7 | Low | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -62.5 | 106 | 177.5 | -169.6 | -179.4 | -82.5 | 132 | -5.3 | 107.5 | P10 | P10-R12 PolarHBondContact O-N 3.03Å; P10-R12 VanDerWaalsContact O-N 3.09Å |
| 13 | A | 59 | Low | 58.9 | Low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 139.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E11 R15 | E11-A13 PolarHBondContact O-N 3.34Å; A13-R15 PolarHBondContact O-N 3.14Å |
| 14 | P | 50.4 | Low | 57.7 | Low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.2 | -179.8 | 25.1 | -31.4 | 0 | 0 | 0 | 109.3 | | |
| 15 | R | 56.4 | Low | 56.8 | Low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.1 | 172.6 | -63.5 | -178.9 | -177 | -176.5 | 0.6 | 108.2 | A13 S17 | A13-R15 PolarHBondContact O-N 3.14Å; R15-S17 PolarHBondContact O-N 3.4Å |
| 16 | P | 41.9 | Very low | 56.2 | Low | 132 Ų | 132 | 143.8 Ų | 143.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 115.4 | 175 | 25.4 | -30.8 | 0 | 0 | 0 | 108.8 | | |
| 17 | S | 44.1 | Very low | 55.7 | Low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -74.4 | 137.7 | 162.9 | 56.8 | 0 | 0 | 0 | 0 | 108.1 | R15 G19 | R15-S17 PolarHBondContact O-N 3.4Å; S17-G19 PolarHBondContact O-N 2.93Å; S17-G19 VanDerWaalsContact O-N 3.15Å |
| 18 | A | 51.5 | Low | 55.2 | Low | 112 Ų | 112 | 141.5 Ų | 141.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -57.8 | 116.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 19 | G | 47.1 | Very low | 54.7 | Low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | 154.2 | 110.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S17 | S17-G19 PolarHBondContact O-N 2.93Å; S17-G19 VanDerWaalsContact O-N 3.15Å |
| 20 | K | 47.8 | Very low | 54.5 | Low | 209 Ų | 209 | 141.4 Ų | 141.4 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | 71.8 | 86.6 | 156.3 | -61.5 | 176.4 | 177.7 | 176.3 | 0 | 116.3 | A22 | K20-A22 PolarHBondContact O-N 3.2Š|
| 21 | E | 43.2 | Very low | 54.7 | Low | 203 Ų | 203 | 143.3 Ų | 143.3 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | 112.2 | 160.8 | -57.2 | -177.1 | 141.3 | 0 | 0 | 109.2 | | |
| 22 | A | 51.2 | Low | 55.7 | Low | 80 Ų | 80 | 139.2 Ų | 139.2 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | | | trans | -148.9 | 129.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K20 | K20-A22 PolarHBondContact O-N 3.2Š|
| 23 | Q | 51.6 | Low | 56.2 | Low | 195 Ų | 195 | 133 Ų | 133 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 82.5 | 112.1 | 160.8 | -49.5 | -66.3 | -16.8 | 0 | 0 | 116.8 | | |
| 24 | G | 54 | Low | 56.7 | Low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 120.3 | 37.6 | 157 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 25 | R | 52 | Low | 56.7 | Low | 192 Ų | 192 | 133.9 Ų | 133.9 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | | | trans | -86.1 | 123.6 | 160.8 | -172.5 | 172.2 | 156.1 | -173.1 | -7.4 | 107.4 | V27 | R25-V27 PolarHBondContact O-N 3.31Å; R25-V27 VanDerWaalsContact O-N 3.16Å |
| 26 | P | 56 | Low | 56.4 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 57% | 0.571 | 76% | 0.756 | S | S | * | * | | | trans | -58.9 | 126.5 | 171.4 | 25.7 | -32.2 | 0 | 0 | 0 | 107.5 | L28 | P26-L28 HydrophobicContact CB-CG 4.13Å; P26-L28 HydrophobicContact CG-CD1 4.3Å; P26-L28 HydrophobicContact CG-CG 4.38Å; P26-L28 PolarHBondContact O-N 3.17Å |
| 27 | V | 61 | Low | 56.9 | Low | 100 Ų | 100 | 127.3 Ų | 127.3 | 61% | 0.606 | 75% | 0.752 | S | S | * | * | | | trans | -69 | 47.5 | -175.8 | -103.3 | 0 | 0 | 0 | 0 | 111.6 | R25 F29 E30 | R25-V27 PolarHBondContact O-N 3.31Å; R25-V27 VanDerWaalsContact O-N 3.16Å; V27-F29 PolarHBondContact O-N 2.93Å; V27-E30 HydrophobicContact CB-CB 4.42Å; V27-E30 HydrophobicContact CG1-CB 4.08Å; V27-E30 VanDerWaalsContact CG1-CD 3.43Å; V27-E30 HydrophobicContact CG1-CG 3.77Å; V27-E30 WeakPolarHBondContact CG1-OE2 3.19Å |
| 28 | L | 65.8 | Low | 57.5 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -8.7 | -179.9 | -61.9 | 177.6 | 0 | 0 | 0 | 113.3 | P26 | P26-L28 HydrophobicContact CB-CG 4.13Å; P26-L28 HydrophobicContact CG-CD1 4.3Å; P26-L28 HydrophobicContact CG-CG 4.38Å; P26-L28 PolarHBondContact O-N 3.17Å |
| 29 | F | 62.1 | Low | 57.5 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 58% | 0.579 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 5.3 | -173.7 | -63.8 | -84.9 | 0 | 0 | 0 | 113.4 | V27 L32 | V27-F29 PolarHBondContact O-N 2.93Å; F29-L32 HydrophobicContact CB-CD1 4.44Å; F29-L32 HydrophobicContact CD1-CD1 3.68Å; F29-L32 HydrophobicContact CE1-CD1 4.47Å |
| 30 | E | 68.5 | Low | 57.8 | Low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -86.9 | -20.2 | 178.6 | -81.3 | -164.7 | -178.3 | 0 | 0 | 113.8 | V27 L32 | V27-E30 HydrophobicContact CB-CB 4.42Å; V27-E30 HydrophobicContact CG1-CB 4.08Å; V27-E30 VanDerWaalsContact CG1-CD 3.43Å; V27-E30 HydrophobicContact CG1-CG 3.77Å; V27-E30 WeakPolarHBondContact CG1-OE2 3.19Å; E30-L32 VanDerWaalsContact C-N 3.34Å |
| 31 | D | 69.6 | Low | 58.2 | Low | 163 Ų | 163 | 126.1 Ų | 126.1 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -94.3 | 15.1 | 175.9 | -104.3 | -4.8 | 0 | 0 | 0 | 113.4 | | |
| 32 | L | 74.1 | Confident | 58.5 | Low | 107 Ų | 107 | 122.2 Ų | 122.2 | 56% | 0.56 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -86.8 | 129.7 | 174.2 | -64.5 | 179.5 | 0 | 0 | 0 | 109.7 | F29 E30 | F29-L32 HydrophobicContact CB-CD1 4.44Å; F29-L32 HydrophobicContact CD1-CD1 3.68Å; F29-L32 HydrophobicContact CE1-CD1 4.47Å; E30-L32 VanDerWaalsContact C-N 3.34Å |
| 33 | P | 73 | Confident | 58.9 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.5 | 172.1 | 26.3 | -33.3 | 0 | 0 | 0 | 109.2 | A35 | P33-A35 PolarHBondContact O-N 3.17Š|
| 34 | P | 69 | Low | 59.6 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 131.4 | 176.2 | 22.7 | -32.4 | 0 | 0 | 0 | 108.5 | S36 | P34-S36 PolarHBondContact O-N 3.33Š|
| 35 | A | 51.8 | Low | 60.2 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -52.2 | 110.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P33 S37 | P33-A35 PolarHBondContact O-N 3.17Å; A35-S37 PolarHBondContact O-N 2.94Å |
| 36 | S | 49.6 | Very low | 61.1 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | trans | -64 | 98.6 | -175.2 | 56.6 | 0 | 0 | 0 | 0 | 108.1 | P34 T38 | P34-S36 PolarHBondContact O-N 3.33Å; S36-T38 PolarHBondContact O-N 2.83Å |
| 37 | S | 52.7 | Low | 62 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | -57.5 | 125.2 | 161.2 | 46 | 0 | 0 | 0 | 0 | 107.5 | A35 D39 | A35-S37 PolarHBondContact O-N 2.94Å; S37-D39 PolarHBondContact O-N 3.33Å; S37-D39 VanDerWaalsContact O-N 3.14Å |
| 38 | T | 56.9 | Low | 62.5 | Low | 144 Ų | 144 | 119.7 Ų | 119.7 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | -49 | 114.8 | 175.7 | 51 | 0 | 0 | 0 | 0 | 111.2 | S36 | S36-T38 PolarHBondContact O-N 2.83Š|
| 39 | D | 51.6 | Low | 63 | Low | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | trans | -156 | 121.4 | 147.6 | -166.6 | 25.2 | 0 | 0 | 0 | 110.6 | S37 | S37-D39 PolarHBondContact O-N 3.33Å; S37-D39 VanDerWaalsContact O-N 3.14Å |
| 40 | S | 53.3 | Low | 63.7 | Low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | 47.3 | 102.7 | 149.4 | -61.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 41 | G | 54.8 | Low | 64.2 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | | | | 83.4 | 89 | 126.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 42 | S | 50.9 | Low | 64.6 | Low | 122 Ų | 122 | 115.3 Ų | 115.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | trans | -162.8 | 109 | 142 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | G44 | S42-G44 PolarHBondContact O-N 2.75Å; S42-G44 VanDerWaalsContact O-N 3.1Å |
| 43 | G | 58.8 | Low | 64.4 | Low | 81 Ų | 81 | 116.2 Ų | 116.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | -64.2 | 103.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 44 | G | 66.7 | Low | 63.8 | Low | 45 Ų | 45 | 115.4 Ų | 115.4 | 46% | 0.464 | 75% | 0.751 | S | S | . | * | | | trans | -82.7 | 148.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S42 L46 | S42-G44 PolarHBondContact O-N 2.75Å; S42-G44 VanDerWaalsContact O-N 3.1Å; G44-L46 PolarHBondContact O-N 2.78Å |
| 45 | P | 66.3 | Low | 63.2 | Low | 121 Ų | 121 | 115 Ų | 115 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -60.8 | 114.9 | -179.8 | 25.9 | -31.8 | 0 | 0 | 0 | 107.9 | | |
| 46 | L | 69.9 | Low | 63.6 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 62% | 0.618 | 76% | 0.755 | S | S | * | * | | | trans | -66.8 | 140 | 172.2 | -63.3 | 177.2 | 0 | 0 | 0 | 105.8 | G44 F48 D49 | G44-L46 PolarHBondContact O-N 2.78Å; L46-F48 PolarHBondContact O-N 2.64Å; L46-D49 PolarHBondContact N-OD2 2.68Å; L46-D49 WeakPolarHBondContact O-CB 3.25Å; L46-D49 PolarHBondContact O-N 2.9Å |
| 47 | L | 74.8 | Confident | 63.6 | Low | 160 Ų | 160 | 113.5 Ų | 113.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -8 | -179.3 | -61.2 | 171.3 | 0 | 0 | 0 | 113.8 | | |
| 48 | F | 72.8 | Confident | 63.2 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -3.5 | -179 | -49.8 | -70.8 | 0 | 0 | 0 | 113.5 | L46 D50 L51 | L46-F48 PolarHBondContact O-N 2.64Å; F48-D50 VanDerWaalsContact C-N 3.29Å; F48-D50 PolarHBondContact O-N 2.68Å; F48-L51 HydrophobicContact CB-CD1 4.38Å; F48-L51 HydrophobicContact CD1-CD1 4.04Å |
| 49 | D | 76.4 | Confident | 62.6 | Low | 113 Ų | 113 | 114 Ų | 114 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -17.3 | 178.7 | -70.4 | -31.9 | 0 | 0 | 0 | 112.7 | L46 | L46-D49 PolarHBondContact N-OD2 2.68Å; L46-D49 WeakPolarHBondContact O-CB 3.25Å; L46-D49 PolarHBondContact O-N 2.9Å |
| 50 | D | 76.8 | Confident | 62 | Low | 155 Ų | 155 | 110.6 Ų | 110.6 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 24.2 | 178 | -161.4 | 28.3 | 0 | 0 | 0 | 112.9 | F48 | F48-D50 VanDerWaalsContact C-N 3.29Å; F48-D50 PolarHBondContact O-N 2.68Å |
| 51 | L | 79.3 | Confident | 61.5 | Low | 112 Ų | 112 | 111 Ų | 111 | 59% | 0.586 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -96.7 | 133.7 | 172.2 | -64.9 | 178.5 | 0 | 0 | 0 | 109.8 | F48 | F48-L51 HydrophobicContact CB-CD1 4.38Å; F48-L51 HydrophobicContact CD1-CD1 4.04Å |
| 52 | P | 77.9 | Confident | 60.6 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.1 | 172.8 | 25.9 | -33 | 0 | 0 | 0 | 108.8 | A54 | P52-A54 PolarHBondContact O-N 3.21Å; P52-A54 VanDerWaalsContact O-N 3.09Å |
| 53 | P | 69.6 | Low | 60.2 | Low | 125 Ų | 125 | 116.4 Ų | 116.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124.3 | 178.2 | 21 | -30.5 | 0 | 0 | 0 | 108.5 | A55 | P53-A55 PolarHBondContact O-N 2.73Š|
| 54 | A | 59.4 | Low | 59.3 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 118.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P52 S56 | P52-A54 PolarHBondContact O-N 3.21Å; P52-A54 VanDerWaalsContact O-N 3.09Å; A54-S56 PolarHBondContact O-N 2.8Å |
| 55 | A | 57 | Low | 58.3 | Low | 112 Ų | 112 | 126 Ų | 126 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | | | trans | -68.4 | 75 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P53 | P53-A55 PolarHBondContact O-N 2.73Š|
| 56 | S | 59.9 | Low | 57.1 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -102.3 | 99.3 | 169.9 | -170.7 | 0 | 0 | 0 | 0 | 107.1 | A54 N58 | A54-S56 PolarHBondContact O-N 2.8Å; S56-N58 PolarHBondContact O-N 2.69Å |
| 57 | G | 49.4 | Very low | 55.8 | Low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -62.9 | 132.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 58 | N | 44.3 | Very low | 54.3 | Low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | 83.4 | 98.5 | 143 | -155.8 | 52.4 | 0 | 0 | 0 | 119.5 | S56 | S56-N58 PolarHBondContact O-N 2.69Š|
| 59 | S | 44.5 | Very low | 53.3 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | | 77 | 121.5 | 120 | -160.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 60 | G | 38.3 | Very low | 52.4 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | 97.4 | 108.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 61 | S | 43.9 | Very low | 51.7 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 8.3 | 120.6 | 145.7 | -169.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 62 | Q | 35.5 | Very low | 51.1 | Low | 181 Ų | 181 | 128.2 Ų | 128.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | | 167.6 | 136.4 | 117.4 | -97.2 | -175.8 | -10.4 | 0 | 0 | 111.6 | | |
| 63 | V | 43.5 | Very low | 50.6 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | | | trans | -52.4 | 135.4 | 157.8 | -144 | 0 | 0 | 0 | 0 | 108.9 | | |
| 64 | V | 38.5 | Very low | 50.3 | Low | 119 Ų | 119 | 138 Ų | 138 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | | | trans | -179.6 | 123.1 | 142.5 | 147.5 | 0 | 0 | 0 | 0 | 109 | T66 | V64-T66 HydrophobicContact CG1-CG2 3.79Š|
| 65 | K | 47 | Very low | 50 | Low | 208 Ų | 208 | 137.9 Ų | 137.9 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -66.9 | 125.5 | 162.7 | -68.2 | 175.6 | 174 | 178.4 | 0 | 108.1 | | |
| 66 | T | 39.7 | Very low | 49.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | | | trans | -138.8 | 124.6 | 156.7 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | V64 | V64-T66 HydrophobicContact CG1-CG2 3.79Š|
| 67 | E | 43.9 | Very low | 49.1 | Very low | 202 Ų | 202 | 142 Ų | 142 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | | | trans | -52.7 | 134.5 | 167.9 | -154.2 | -174.1 | 141.3 | 0 | 0 | 111.1 | | |
| 68 | G | 43.2 | Very low | 49.1 | Very low | 72 Ų | 72 | 146.3 Ų | 146.3 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | -147.7 | 62.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 69 | K | 52.3 | Low | 49.2 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | | | trans | 24.3 | 101.8 | 142.8 | -155.9 | 140.9 | 172.8 | 173.6 | 0 | 116.2 | A71 | K69-A71 PolarHBondContact O-N 3.41Š|
| 70 | G | 57.3 | Low | 49.5 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | -53.2 | 107.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | K72 | G70-K72 PolarHBondContact O-N 3.4Š|
| 71 | A | 60.5 | Low | 50.1 | Low | 93 Ų | 93 | 154.9 Ų | 154.9 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | trans | -81.3 | 100.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K69 R73 | K69-A71 PolarHBondContact O-N 3.41Å; A71-R73 PolarHBondContact O-N 2.91Å; A71-R73 VanDerWaalsContact O-N 3.14Å |
| 72 | K | 67.8 | Low | 50 | Low | 206 Ų | 206 | 153.1 Ų | 153.1 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -63.9 | 109.6 | 165 | -74.9 | -177 | 176.8 | 179.7 | 0 | 108.3 | G70 K74 | G70-K72 PolarHBondContact O-N 3.4Å; K72-K74 PolarHBondContact O-N 2.86Å |
| 73 | R | 67.3 | Low | 50.5 | Low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.9 | 171.1 | -65.6 | -178.1 | -72.5 | 165.6 | -1.5 | 108.7 | A71 | A71-R73 PolarHBondContact O-N 2.91Å; A71-R73 VanDerWaalsContact O-N 3.14Å |
| 74 | K | 63 | Low | 50.9 | Low | 203 Ų | 203 | 150.1 Ų | 150.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 129.7 | 163.8 | -85.2 | -141 | 177.4 | -166 | 0 | 108.5 | K72 | K72-K74 PolarHBondContact O-N 2.86Š|
| 75 | A | 52.7 | Low | 51.4 | Low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 137.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | P | 50.7 | Low | 51.8 | Low | 132 Ų | 132 | 148.7 Ų | 148.7 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 139.2 | 165.3 | 30.1 | -30.4 | 0 | 0 | 0 | 110 | | |
| 77 | E | 47.7 | Very low | 52.3 | Low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 133.7 | 179.4 | -179.4 | -179.4 | 169.9 | 0 | 0 | 110.4 | | |
| 78 | E | 50.1 | Low | 53.2 | Low | 160 Ų | 160 | 145.3 Ų | 145.3 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | 38.5 | 106.9 | 163.7 | -64.7 | -165.6 | 151.3 | 0 | 0 | 119.8 | | |
| 79 | E | 46.2 | Very low | 54.4 | Low | 195 Ų | 195 | 150.4 Ų | 150.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -115 | 118.4 | 139.9 | -159.7 | 178.6 | 155.3 | 0 | 0 | 108.7 | | |
| 80 | K | 50.6 | Low | 55 | Low | 158 Ų | 158 | 150.6 Ų | 150.6 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | -64.5 | 136.8 | 176.4 | -79.7 | 170.1 | 173.3 | 161.8 | 0 | 110.6 | | |
| 81 | N | 50.7 | Low | 55.1 | Low | 159 Ų | 159 | 152.7 Ų | 152.7 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | 55.4 | 63.1 | 152.8 | -52 | -31.1 | 0 | 0 | 0 | 115.5 | | |
| 82 | G | 42.7 | Very low | 54.9 | Low | 77 Ų | 77 | 153.4 Ų | 153.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 118.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 83 | G | 46.1 | Very low | 54.7 | Low | 67 Ų | 67 | 153.7 Ų | 153.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | -48.2 | 151 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | E85 | G83-E85 PolarHBondContact O-N 2.76Š|
| 84 | E | 50.6 | Low | 54.1 | Low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -49.1 | 80.6 | 156 | 47.2 | 176.7 | -163.2 | 0 | 0 | 110.1 | L86 | E84-L86 PolarHBondContact O-N 2.98Š|
| 85 | E | 50.1 | Low | 53.8 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 82.9 | 152.6 | -169.2 | -170.6 | 159 | 0 | 0 | 104.5 | G83 V87 | G83-E85 PolarHBondContact O-N 2.76Å; E85-V87 HydrophobicContact CG-CG2 3.98Å; E85-V87 PolarHBondContact O-N 3.49Å; E85-V87 WeakPolarHBondContact OE1-CG2 3.43Å |
| 86 | L | 55 | Low | 54 | Low | 133 Ų | 133 | 141.7 Ų | 141.7 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | -61.8 | 85.8 | 158.9 | -156.3 | 161.3 | 0 | 0 | 0 | 103.1 | E84 E88 | E84-L86 PolarHBondContact O-N 2.98Å; L86-E88 HydrophobicContact CD2-CG 4.28Å; L86-E88 PolarHBondContact O-N 3.09Å |
| 87 | V | 49.4 | Very low | 54.7 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 56% | 0.558 | 76% | 0.762 | S | S | * | * | | | trans | -55 | 97.5 | 169.2 | 172.2 | 0 | 0 | 0 | 0 | 103 | E85 K89 | E85-V87 HydrophobicContact CG-CG2 3.98Å; E85-V87 PolarHBondContact O-N 3.49Å; E85-V87 WeakPolarHBondContact OE1-CG2 3.43Å; V87-K89 PolarHBondContact O-N 3Å |
| 88 | E | 62.3 | Low | 55.8 | Low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -63.3 | 89.7 | 173.2 | -69.8 | -176.7 | -177.9 | 0 | 0 | 104.1 | L86 K90 | L86-E88 HydrophobicContact CD2-CG 4.28Å; L86-E88 PolarHBondContact O-N 3.09Å; E88-K90 PolarHBondContact O-N 2.71Å |
| 89 | K | 68.5 | Low | 56.9 | Low | 179 Ų | 179 | 135.7 Ų | 135.7 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | | | trans | -48.8 | 114.9 | 166.2 | -70.4 | 176.4 | 179.6 | 170.7 | 0 | 103.2 | V87 V91 | V87-K89 PolarHBondContact O-N 3Å; K89-V91 WeakPolarHBondContact O-CG2 3.39Å; K89-V91 PolarHBondContact O-N 3.1Å |
| 90 | K | 66.1 | Low | 58.5 | Low | 206 Ų | 206 | 130.2 Ų | 130.2 | 90% | 0.896 | 73% | 0.734 | S | S | * | * | | | trans | -62 | 89.1 | -179.4 | -68.7 | -138 | 177.3 | -171 | 0 | 107.6 | E88 C92 | E88-K90 PolarHBondContact O-N 2.71Å; K90-C92 PolarHBondContact O-N 3.49Å |
| 91 | V | 60.1 | Low | 59.8 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | -69.5 | 120.1 | 169.1 | 174.7 | 0 | 0 | 0 | 0 | 104.1 | K89 K93 | K89-V91 WeakPolarHBondContact O-CG2 3.39Å; K89-V91 PolarHBondContact O-N 3.1Å; V91-K93 PolarHBondContact O-N 2.77Å |
| 92 | C | 56.3 | Low | 61.5 | Low | 107 Ų | 107 | 128.3 Ų | 128.3 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | | | trans | -53.8 | 104 | 174.9 | -75.9 | 0 | 0 | 0 | 0 | 108.5 | K90 A94 | K90-C92 PolarHBondContact O-N 3.49Å; C92-A94 PolarHBondContact O-N 3.16Å |
| 93 | K | 63.1 | Low | 63.4 | Low | 212 Ų | 212 | 127.1 Ų | 127.1 | 92% | 0.922 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 6.4 | -171.1 | -166.8 | 142.8 | -177.5 | 154.6 | 0 | 114.1 | V91 | V91-K93 PolarHBondContact O-N 2.77Š|
| 94 | A | 54.5 | Low | 65.3 | Low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 7.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | C92 | C92-A94 PolarHBondContact O-N 3.16Š|
| 95 | S | 55.6 | Low | 67.1 | Low | 51 Ų | 51 | 127.2 Ų | 127.2 | 36% | 0.357 | 69% | 0.692 | S | S | . | * | | | trans | -138.8 | 84.7 | 175.1 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | V97 | S95-V97 PolarHBondContact O-N 3.21Å; S95-V97 VanDerWaalsContact O-N 3.12Å |
| 96 | S | 58.3 | Low | 68.8 | Low | 132 Ų | 132 | 123.7 Ų | 123.7 | 92% | 0.923 | 69% | 0.691 | S | S | * | * | | | trans | -60.3 | 0.4 | 149.1 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | I98 | S96-I98 PolarHBondContact O-N 2.86Š|
| 97 | V | 64.8 | Low | 70.1 | Confident | 109 Ų | 109 | 124.8 Ų | 124.8 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -84.1 | 104.9 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 108 | S95 F99 | S95-V97 PolarHBondContact O-N 3.21Å; S95-V97 VanDerWaalsContact O-N 3.12Å; V97-F99 PolarHBondContact O-N 3.22Å |
| 98 | I | 69.9 | Low | 71.7 | Confident | 62 Ų | 62 | 131.1 Ų | 131.1 | 32% | 0.318 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 124.9 | 169.8 | -59.1 | 168.7 | 0 | 0 | 0 | 107.3 | S96 T126 C129 | S96-I98 PolarHBondContact O-N 2.86Å; I98-T126 HydrophobicContact CB-CG2 4.25Å; I98-T126 WeakPolarHBondContact CD1-O 3.32Å; I98-T126 HydrophobicContact CG2-CG2 3.99Å; I98-C129 HydrophobicContact CD1-CB 4.39Å; I98-C129 WeakPolarHBondContact CD1-O 3.4Å |
| 99 | F | 73.4 | Confident | 72.6 | Confident | 171 Ų | 171 | 131.5 Ų | 131.5 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.3 | 175.7 | -66.2 | -80.4 | 0 | 0 | 0 | 110 | V97 L101 | V97-F99 PolarHBondContact O-N 3.22Å; F99-L101 PolarHBondContact O-N 2.83Å |
| 100 | G | 79.6 | Confident | 73.2 | Confident | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 101 | L | 79.8 | Confident | 74.1 | Confident | 128 Ų | 128 | 125.5 Ų | 125.5 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 140.4 | 176.6 | -175.1 | 65.9 | 0 | 0 | 0 | 110.1 | F99 I125 | F99-L101 PolarHBondContact O-N 2.83Å; L101-I125 HydrophobicContact CD2-CD1 3.88Å |
| 102 | K | 85.7 | Confident | 75.3 | Confident | 149 Ų | 149 | 127.9 Ų | 127.9 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | | | trans | -116.9 | 110.4 | 170.8 | -172.3 | 169 | -179.9 | -170.2 | 0 | 109.8 | Y104 | K102-Y104 HydrophobicContact CB-CE2 4.43Å; K102-Y104 HydrophobicContact CD-CE2 4.19Å; K102-Y104 WeakPolarHBondContact CD-OH 3.33Å; K102-Y104 WeakPolarHBondContact CE-OH 3.1Å; K102-Y104 HydrophobicContact CG-CE2 3.92Å; K102-Y104 PolarHBondContact NZ-OH 3.14Å; K102-Y104 VanDerWaalsContact NZ-OH 3.17Å |
| 103 | G | 82.2 | Confident | 76.5 | Confident | 52 Ų | 52 | 131.5 Ų | 131.5 | 54% | 0.536 | 70% | 0.699 | S | S | . | * | | | trans | -78.7 | 146.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 104 | Y | 86.4 | Confident | 77.2 | Confident | 181 Ų | 181 | 128.4 Ų | 128.4 | 71% | 0.71 | 69% | 0.688 | S | S | * | * | | | trans | -133.7 | 136.1 | 168.6 | -63.4 | -90 | 0 | 0 | 0 | 108.1 | K102 | K102-Y104 HydrophobicContact CB-CE2 4.43Å; K102-Y104 HydrophobicContact CD-CE2 4.19Å; K102-Y104 WeakPolarHBondContact CD-OH 3.33Å; K102-Y104 WeakPolarHBondContact CE-OH 3.1Å; K102-Y104 HydrophobicContact CG-CE2 3.92Å; K102-Y104 PolarHBondContact NZ-OH 3.14Å; K102-Y104 VanDerWaalsContact NZ-OH 3.17Å |
| 105 | V | 87.8 | Confident | 78.3 | Confident | 76 Ų | 76 | 129.5 Ų | 129.5 | 46% | 0.461 | 68% | 0.678 | S | S | . | * | | | trans | -127 | 140.3 | 177 | 166.8 | 0 | 0 | 0 | 0 | 109.7 | E107 I121 | V105-E107 HydrophobicContact CG1-CG 4.41Å; V105-I121 HydrophobicContact CB-CD1 3.46Å; V105-I121 VanDerWaalsContact CB-CD1 3.46Å; V105-I121 HydrophobicContact CB-CG1 4.4Å; V105-I121 HydrophobicContact CG1-CD1 4.04Å; V105-I121 HydrophobicContact CG2-CD1 3.17Å; V105-I121 HydrophobicContact CG2-CG1 3.61Å |
| 106 | A | 85.2 | Confident | 79.6 | Confident | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | | | trans | -130.9 | 123.4 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 107 | E | 83.3 | Confident | 80.7 | Confident | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | | | trans | -95.4 | 142.2 | 175.8 | -65.4 | 176.2 | 178.6 | 0 | 0 | 109.5 | V105 | V105-E107 HydrophobicContact CG1-CG 4.41Š|
| 108 | R | 83.6 | Confident | 81.5 | Confident | 225 Ų | 225 | 133.7 Ų | 133.7 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | | | trans | -126.9 | 135.8 | 171.8 | -67.2 | -173.5 | 179.8 | 148.7 | 0.4 | 108.5 | G110 | R108-G110 PolarHBondContact O-N 3.35Š|
| 109 | K | 80 | Confident | 82.1 | Confident | 172 Ų | 172 | 137.1 Ų | 137.1 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | | | trans | -70.7 | 113.4 | 170.9 | -167.6 | 177 | 179.6 | -179.3 | 0 | 108.1 | M115 | K109-M115 HydrophobicContact CB-CE 4.35Š|
| 110 | G | 81.6 | Confident | 82.8 | Confident | 51 Ų | 51 | 135.4 Ų | 135.4 | 53% | 0.526 | 71% | 0.709 | S | S | . | * | | | trans | -68.9 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R108 R112 | R108-G110 PolarHBondContact O-N 3.35Å; G110-R112 VanDerWaalsContact C-N 3.26Å; G110-R112 PolarHBondContact O-N 3.14Å |
| 111 | E | 85.8 | Confident | 83.1 | Confident | 209 Ų | 209 | 135.9 Ų | 135.9 | 98% | 0.977 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -61.6 | -36.1 | 176.4 | -176.4 | -162.4 | 166.3 | 0 | 0 | 112.4 | | |
| 112 | R | 84.9 | Confident | 83.3 | Confident | 173 Ų | 173 | 134.4 Ų | 134.4 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -72.7 | 145 | -174 | -153.1 | 178.5 | -72.2 | 142.3 | -3 | 111.1 | G110 E114 | G110-R112 VanDerWaalsContact C-N 3.26Å; G110-R112 PolarHBondContact O-N 3.14Å; R112-E114 VanDerWaalsContact C-N 3.29Å; R112-E114 PolarHBondContact O-N 3.45Å |
| 113 | E | 80.3 | Confident | 83.2 | Confident | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -66.3 | -32.6 | -176.7 | -165.1 | 169 | -157.6 | 0 | 0 | 112.6 | | |
| 114 | E | 79.6 | Confident | 83.2 | Confident | 147 Ų | 147 | 137.1 Ų | 137.1 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -110.6 | 128.4 | 179.1 | -63.4 | -177.7 | -175.4 | 0 | 0 | 112 | R112 | R112-E114 VanDerWaalsContact C-N 3.29Å; R112-E114 PolarHBondContact O-N 3.45Å |
| 115 | M | 76.4 | Confident | 83.1 | Confident | 122 Ų | 122 | 131 Ų | 131 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | | | trans | -75.2 | 122.6 | 170 | -72.4 | -179.8 | 168.1 | 0 | 0 | 109.3 | K109 | K109-M115 HydrophobicContact CB-CE 4.35Š|
| 116 | Q | 82.9 | Confident | 82.8 | Confident | 146 Ų | 146 | 129.4 Ų | 129.4 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | | | trans | -96.7 | -16.1 | 177.9 | -66.1 | -174.4 | -19.4 | 0 | 0 | 112.6 | | |
| 117 | D | 81.5 | Confident | 82.5 | Confident | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | | | trans | -88.3 | 134.3 | -178.5 | -61.2 | -26 | 0 | 0 | 0 | 110.2 | | |
| 118 | A | 81.5 | Confident | 82.3 | Confident | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | | | trans | -122.4 | 136.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 119 | H | 83.4 | Confident | 81.9 | Confident | 134 Ų | 134 | 123.1 Ų | 123.1 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | | | trans | -126.5 | 140.6 | -178.3 | -64.2 | -4.1 | 0 | 0 | 0 | 110.6 | | |
| 120 | V | 86.8 | Confident | 81.5 | Confident | 135 Ų | 135 | 120 Ų | 120 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | | | trans | -122.3 | 123 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | L122 | V120-L122 HydrophobicContact CG1-CD2 4.43Š|
| 121 | I | 86.1 | Confident | 81 | Confident | 90 Ų | 90 | 122.4 Ų | 122.4 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | | | trans | -104.7 | 121.8 | -179.6 | -53.2 | 159.7 | 0 | 0 | 0 | 107.7 | V105 | V105-I121 HydrophobicContact CB-CD1 3.46Å; V105-I121 VanDerWaalsContact CB-CD1 3.46Å; V105-I121 HydrophobicContact CB-CG1 4.4Å; V105-I121 HydrophobicContact CG1-CD1 4.04Å; V105-I121 HydrophobicContact CG2-CD1 3.17Å; V105-I121 HydrophobicContact CG2-CG1 3.61Å |
| 122 | L | 84.6 | Confident | 80.2 | Confident | 98 Ų | 98 | 117.9 Ų | 117.9 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | | | trans | -98.3 | 125.1 | 172.2 | -61.4 | 177.5 | 0 | 0 | 0 | 109.1 | V120 D124 I125 E128 | V120-L122 HydrophobicContact CG1-CD2 4.43Å; L122-D124 VanDerWaalsContact C-N 3.33Å; L122-I125 HydrophobicContact CB-CG2 3.91Å; L122-E128 WeakPolarHBondContact CD1-OE1 3.5Å |
| 123 | N | 82.5 | Confident | 79.2 | Confident | 154 Ų | 154 | 114.6 Ų | 114.6 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -72.8 | -28.3 | -178.6 | -71.7 | -17.8 | 0 | 0 | 0 | 112.7 | | |
| 124 | D | 83.8 | Confident | 78.2 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | | | trans | -132.8 | 114 | 179 | -174.9 | -3.3 | 0 | 0 | 0 | 108.9 | L122 T126 | L122-D124 VanDerWaalsContact C-N 3.33Å; D124-T126 VanDerWaalsContact OD1-CB 3.25Å; D124-T126 WeakPolarHBondContact OD1-CB 3.17Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.46Å; D124-T126 PolarHBondContact OD1-N 3.29Å; D124-T126 PolarHBondContact OD1-OG1 3.29Å |
| 125 | I | 83.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 111.7 Ų | 111.7 | 27% | 0.272 | 63% | 0.626 | S | S | . | * | | | trans | -110.4 | 8.6 | 179 | 64.6 | 173.2 | 0 | 0 | 0 | 111.7 | L101 L122 Q127 E128 C129 | L101-I125 HydrophobicContact CD2-CD1 3.88Å; L122-I125 HydrophobicContact CB-CG2 3.91Å; I125-Q127 PolarHBondContact O-N 3.28Å; I125-E128 WeakPolarHBondContact CG2-OE2 3.46Å; I125-E128 PolarHBondContact O-N 2.92Å; I125-C129 VanDerWaalsContact CD1-SG 3.57Å; I125-C129 WeakPolarHBondContact O-CB 3.2Å; I125-C129 PolarHBondContact O-N 3.01Å; I125-C129 PolarHBondContact O-SG 3.32Å; I125-C129 VanDerWaalsContact O-SG 3.4Å |
| 126 | T | 80.7 | Confident | 75.4 | Confident | 42 Ų | 42 | 116.9 Ų | 116.9 | 26% | 0.258 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -33.7 | -173.8 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | I98 D124 | I98-T126 HydrophobicContact CB-CG2 4.25Å; I98-T126 WeakPolarHBondContact CD1-O 3.32Å; I98-T126 HydrophobicContact CG2-CG2 3.99Å; D124-T126 VanDerWaalsContact OD1-CB 3.25Å; D124-T126 WeakPolarHBondContact OD1-CB 3.17Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.46Å; D124-T126 PolarHBondContact OD1-N 3.29Å; D124-T126 PolarHBondContact OD1-OG1 3.29Å |
| 127 | Q | 78.7 | Confident | 75.1 | Confident | 156 Ų | 156 | 115.4 Ų | 115.4 | 73% | 0.729 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -35.9 | 176.5 | -66.9 | -64.1 | -36.3 | 0 | 0 | 112.9 | I125 N130 | I125-Q127 PolarHBondContact O-N 3.28Å; Q127-N130 PolarHBondContact O-ND2 3.12Å; Q127-N130 VanDerWaalsContact O-ND2 3.14Å |
| 128 | E | 81.1 | Confident | 74.7 | Confident | 125 Ų | 125 | 114.3 Ų | 114.3 | 58% | 0.584 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -27.2 | -178.8 | -65 | 145 | -165.7 | 0 | 0 | 111.5 | L122 I125 N130 | L122-E128 WeakPolarHBondContact CD1-OE1 3.5Å; I125-E128 WeakPolarHBondContact CG2-OE2 3.46Å; I125-E128 PolarHBondContact O-N 2.92Å; E128-N130 VanDerWaalsContact C-N 3.3Å; E128-N130 PolarHBondContact O-N 3.41Å |
| 129 | C | 74 | Confident | 74.3 | Confident | 57 Ų | 57 | 115.2 Ų | 115.2 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | | | trans | -92.7 | 37.2 | -178.7 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | I98 I125 P131 | I98-C129 HydrophobicContact CD1-CB 4.39Å; I98-C129 WeakPolarHBondContact CD1-O 3.4Å; I125-C129 VanDerWaalsContact CD1-SG 3.57Å; I125-C129 WeakPolarHBondContact O-CB 3.2Å; I125-C129 PolarHBondContact O-N 3.01Å; I125-C129 PolarHBondContact O-SG 3.32Å; I125-C129 VanDerWaalsContact O-SG 3.4Å; C129-P131 WeakPolarHBondContact O-CD 3.44Å |
| 130 | N | 72.4 | Confident | 73.8 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | | | trans | -80.2 | 105.6 | 167.8 | -84.6 | -56.9 | 0 | 0 | 0 | 108.7 | Q127 E128 | Q127-N130 PolarHBondContact O-ND2 3.12Å; Q127-N130 VanDerWaalsContact O-ND2 3.14Å; E128-N130 VanDerWaalsContact C-N 3.3Å; E128-N130 PolarHBondContact O-N 3.41Å |
| 131 | P | 69.7 | Low | 73 | Confident | 102 Ų | 102 | 112.8 Ų | 112.8 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | | | trans | -57.2 | 134.4 | 172.4 | 25.5 | -32.8 | 0 | 0 | 0 | 107.5 | C129 S133 | C129-P131 WeakPolarHBondContact O-CD 3.44Å; P131-S133 PolarHBondContact O-N 3.27Å; P131-S133 VanDerWaalsContact O-N 3.17Å |
| 132 | P | 69.6 | Low | 72.1 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | | | trans | -52.3 | 132.1 | 171 | 23.5 | -32 | 0 | 0 | 0 | 106.6 | S134 | P132-S134 VanDerWaalsContact C-N 3.29Å; P132-S134 PolarHBondContact O-N 3.09Å |
| 133 | S | 63.1 | Low | 71.2 | Confident | 104 Ų | 104 | 115.5 Ų | 115.5 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | | | trans | -56 | 102.8 | 173.9 | 53.9 | 0 | 0 | 0 | 0 | 106.3 | P131 L135 | P131-S133 PolarHBondContact O-N 3.27Å; P131-S133 VanDerWaalsContact O-N 3.17Å; S133-L135 PolarHBondContact O-N 3.06Å |
| 134 | S | 60.4 | Low | 70.4 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 81% | 0.811 | 64% | 0.637 | S | S | * | * | | | trans | -56.4 | 101.7 | 165.8 | -38.2 | 0 | 0 | 0 | 0 | 103.9 | P132 I136 | P132-S134 VanDerWaalsContact C-N 3.29Å; P132-S134 PolarHBondContact O-N 3.09Å; S134-I136 PolarHBondContact O-N 3.15Å |
| 135 | L | 52 | Low | 69.2 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 80% | 0.801 | 64% | 0.644 | S | S | * | * | | | trans | -54.8 | 108.9 | 174.4 | -89.8 | 153.4 | 0 | 0 | 0 | 106.4 | S133 | S133-L135 PolarHBondContact O-N 3.06Š|
| 136 | I | 45.7 | Very low | 67.9 | Low | 230 Ų | 230 | 118.7 Ų | 118.7 | 100% | 1.179 | 68% | 0.677 | S | S | * | * | | | trans | 32.8 | 0 | 151 | -49.1 | 173.3 | 0 | 0 | 0 | 115.6 | S134 | S134-I136 PolarHBondContact O-N 3.15Š|