| 1 | M | 42 | Very low | 62.9 | Low | 235 Ų | 235 | 163.3 Ų | 163.3 | 100% | 1.158 | 84% | 0.839 | S | S | * | * | | | | 0 | 109.5 | 0 | -58.6 | -50.9 | -133.5 | 0 | 0 | 107.4 | | |
| 2 | S | 53.8 | Low | 63.3 | Low | 113 Ų | 113 | 159.7 Ų | 159.7 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | | | trans | -81.4 | 117.1 | -177.2 | -51.9 | 0 | 0 | 0 | 0 | 108.5 | E4 | S2-E4 PolarHBondContact O-N 2.55Š|
| 3 | L | 62.5 | Low | 63.6 | Low | 174 Ų | 174 | 157.8 Ų | 157.8 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | -78.8 | 106.9 | 170.7 | -76.3 | 170.4 | 0 | 0 | 0 | 107.9 | Q5 | L3-Q5 PolarHBondContact O-N 3.47Š|
| 4 | E | 60.8 | Low | 63.7 | Low | 169 Ų | 169 | 160.6 Ų | 160.6 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | | | trans | -26 | 120 | 173.2 | -86.3 | 85.1 | 93.8 | 0 | 0 | 114.4 | S2 R6 | S2-E4 PolarHBondContact O-N 2.55Å; E4-R6 PolarHBondContact O-N 3.41Å |
| 5 | Q | 62.5 | Low | 63.9 | Low | 195 Ų | 195 | 157.8 Ų | 157.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | | | trans | -66.9 | 95.7 | 162 | -64.7 | -139.7 | -37.4 | 0 | 0 | 109.7 | L3 S7 | L3-Q5 PolarHBondContact O-N 3.47Å; Q5-S7 PolarHBondContact O-N 3.46Å |
| 6 | R | 66.1 | Low | 63.9 | Low | 240 Ų | 240 | 156.6 Ų | 156.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | trans | -86.7 | 91.1 | 163.5 | 55.5 | 177 | 176.3 | -155.3 | -3.1 | 109.5 | E4 | E4-R6 PolarHBondContact O-N 3.41Š|
| 7 | S | 71.1 | Confident | 63.6 | Low | 95 Ų | 95 | 158.3 Ų | 158.3 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | | | trans | -70.6 | 149.2 | 169.5 | -143.2 | 0 | 0 | 0 | 0 | 110.1 | Q5 H9 | Q5-S7 PolarHBondContact O-N 3.46Å; S7-H9 PolarHBondContact O-N 2.9Å |
| 8 | P | 65.2 | Low | 63.7 | Low | 113 Ų | 113 | 155.4 Ų | 155.4 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | trans | -86.3 | 111.4 | -161.8 | 32.6 | -30.2 | 0 | 0 | 0 | 110.6 | | |
| 9 | H | 64.8 | Low | 63.9 | Low | 156 Ų | 156 | 156.7 Ų | 156.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | -136.5 | 89.3 | 174 | -82.9 | 53.9 | 0 | 0 | 0 | 110 | S7 | S7-H9 PolarHBondContact O-N 2.9Š|
| 10 | C | 68.5 | Low | 63.8 | Low | 132 Ų | 132 | 152 Ų | 152 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | | | trans | -130.8 | 117.3 | 148.2 | -93 | 0 | 0 | 0 | 0 | 106.7 | | |
| 11 | K | 74.3 | Confident | 63.5 | Low | 174 Ų | 174 | 153.4 Ų | 153.4 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 152.2 | 177.6 | -62.4 | -73.7 | -178.5 | 167 | 0 | 108.9 | D13 | K11-D13 PolarHBondContact O-N 2.93Š|
| 12 | P | 67.8 | Low | 64.5 | Low | 120 Ų | 120 | 149.4 Ų | 149.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.4 | 164.8 | 28.7 | -32.3 | 0 | 0 | 0 | 108.9 | E14 | P12-E14 PolarHBondContact O-N 3.15Š|
| 13 | D | 67.9 | Low | 64.9 | Low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 120 | 171.5 | -157.4 | -118.3 | 0 | 0 | 0 | 108 | K11 D15 | K11-D13 PolarHBondContact O-N 2.93Å; D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.37Å; D13-D15 VanDerWaalsContact O-N 3.15Å |
| 14 | E | 64.3 | Low | 65.1 | Low | 196 Ų | 196 | 146.4 Ų | 146.4 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | trans | -82.9 | 81.8 | 173.3 | -171.3 | 149.9 | 78.1 | 0 | 0 | 106.8 | P12 | P12-E14 PolarHBondContact O-N 3.15Š|
| 15 | D | 66.8 | Low | 65.1 | Low | 119 Ų | 119 | 146.5 Ų | 146.5 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -92 | 114.7 | -175.1 | -145.9 | 15.2 | 0 | 0 | 0 | 110.3 | D13 | D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.37Å; D13-D15 VanDerWaalsContact O-N 3.15Å |
| 16 | L | 63.6 | Low | 64.8 | Low | 138 Ų | 138 | 146 Ų | 146 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | | | trans | 77.2 | 86.7 | 155.6 | -48 | -179 | 0 | 0 | 0 | 118.1 | A18 | L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.48Å |
| 17 | E | 59.2 | Low | 64.5 | Low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | -48 | 95.2 | 139.7 | -51.8 | -173.3 | 98.8 | 0 | 0 | 110 | Q19 | E17-Q19 PolarHBondContact O-N 3.14Š|
| 18 | A | 65.8 | Low | 64 | Low | 106 Ų | 106 | 138.5 Ų | 138.5 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -76.9 | 64.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L16 | L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.48Å |
| 19 | Q | 67.8 | Low | 63.8 | Low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -82.5 | 112.8 | 166.6 | -174.5 | -176.5 | 28.2 | 0 | 0 | 108.4 | E17 | E17-Q19 PolarHBondContact O-N 3.14Š|
| 20 | G | 61.2 | Low | 63.3 | Low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | 113.8 | 104.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 21 | E | 57.6 | Low | 62.6 | Low | 183 Ų | 183 | 140.9 Ų | 140.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | | -162.8 | 110.6 | 108.2 | 40.1 | -165.5 | 124.7 | 0 | 0 | 110.8 | | |
| 22 | D | 63.4 | Low | 61.4 | Low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -55.8 | 128.7 | 156.3 | 165.7 | 43.4 | 0 | 0 | 0 | 109.1 | | |
| 23 | L | 62.7 | Low | 60.4 | Low | 163 Ų | 163 | 134.8 Ų | 134.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -172.4 | 100.3 | 156.9 | -100.6 | 159.2 | 0 | 0 | 0 | 110.4 | | |
| 24 | G | 65.3 | Low | 59.3 | Low | 60 Ų | 60 | 137.5 Ų | 137.5 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | trans | 122.5 | 88.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 25 | L | 60.9 | Low | 58.7 | Low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | | 176.5 | 105.9 | 87.8 | -87.1 | 164.7 | 0 | 0 | 0 | 108.7 | | |
| 26 | M | 56.4 | Low | 57.8 | Low | 186 Ų | 186 | 140.6 Ų | 140.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -55.1 | 140.7 | 162 | -152.6 | 83.3 | 71.5 | 0 | 0 | 108.9 | | |
| 27 | G | 59 | Low | 57.1 | Low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | -62.2 | 164.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 28 | A | 61.3 | Low | 56.4 | Low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -143.8 | 88.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 29 | Q | 60.3 | Low | 55.9 | Low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -89.7 | 105.4 | 156.1 | -169.9 | -171.6 | -91.4 | 0 | 0 | 106 | | |
| 30 | E | 56.3 | Low | 54.7 | Low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | trans | -130.9 | 109 | 165.8 | -169.3 | -160.6 | 120.2 | 0 | 0 | 107.7 | T32 | E30-T32 WeakPolarHBondContact OE1-CB 3.37Å; E30-T32 PolarHBondContact OE1-OG1 3.39Å; E30-T32 PolarHBondContact O-N 3.29Å |
| 31 | P | 53.6 | Low | 53.9 | Low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | trans | -81.7 | 101.3 | 158.6 | 29.8 | -25 | 0 | 0 | 0 | 107.7 | | |
| 32 | T | 48.4 | Very low | 53.4 | Low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 120.8 | 161.6 | -102 | 0 | 0 | 0 | 0 | 108.4 | E30 | E30-T32 WeakPolarHBondContact OE1-CB 3.37Å; E30-T32 PolarHBondContact OE1-OG1 3.39Å; E30-T32 PolarHBondContact O-N 3.29Å |
| 33 | G | 46.3 | Very low | 52.8 | Low | 53 Ų | 53 | 136.5 Ų | 136.5 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | | | trans | 73.9 | 114.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 34 | E | 44.8 | Very low | 52.4 | Low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | 71 | 132.3 | 134.7 | 70.7 | -163.8 | 80.2 | 0 | 0 | 121.7 | | |
| 35 | E | 52.5 | Low | 51.7 | Low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -79.5 | 124.9 | -176 | -52.2 | 167.3 | 98.4 | 0 | 0 | 109.9 | | |
| 36 | E | 48.6 | Very low | 51.3 | Low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -137.3 | 115.2 | 155.7 | -72 | -159.8 | 109 | 0 | 0 | 111 | T38 | E36-T38 PolarHBondContact O-N 2.88Š|
| 37 | E | 47.6 | Very low | 50.8 | Low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -65.7 | 118.7 | 171.5 | -177 | -176 | 114.1 | 0 | 0 | 109.8 | | |
| 38 | T | 44.5 | Very low | 50.4 | Low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -137.1 | 123.1 | 156 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | E36 S40 | E36-T38 PolarHBondContact O-N 2.88Å; T38-S40 PolarHBondContact O-N 2.87Å |
| 39 | T | 56.5 | Low | 50.1 | Low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -62.4 | 123.4 | 172 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 40 | S | 41.3 | Very low | 49.7 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -158.1 | 138.9 | 149.1 | -157.7 | 0 | 0 | 0 | 0 | 112.1 | T38 | T38-S40 PolarHBondContact O-N 2.87Š|
| 41 | S | 44.3 | Very low | 49.8 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -87.3 | 154.6 | -170.4 | -173 | 0 | 0 | 0 | 0 | 112.1 | | |
| 42 | S | 47.8 | Very low | 50 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | 89.8 | 145.8 | 146.8 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 43 | D | 50.9 | Low | 50.4 | Low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | 88 | 88.1 | 157.7 | -73.5 | -75.5 | 0 | 0 | 0 | 117.6 | K45 | D43-K45 PolarHBondContact O-N 2.84Š|
| 44 | S | 52.9 | Low | 51.2 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -23.2 | 116.5 | 142.2 | -46 | 0 | 0 | 0 | 0 | 112.5 | | |
| 45 | K | 50.9 | Low | 52.1 | Low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -127.9 | 85.2 | 150.3 | -159.5 | 175.4 | -174.7 | -176.4 | 0 | 107.5 | D43 E47 | D43-K45 PolarHBondContact O-N 2.84Å; K45-E47 PolarHBondContact O-N 2.83Å; K45-E47 VanDerWaalsContact O-N 3.14Å |
| 46 | E | 52.3 | Low | 53.1 | Low | 160 Ų | 160 | 129.6 Ų | 129.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -47.6 | 113.5 | 152.8 | 56.5 | -150.3 | 138.4 | 0 | 0 | 107.8 | E48 | E46-E48 PolarHBondContact O-N 3.34Š|
| 47 | E | 46.3 | Very low | 54.3 | Low | 200 Ų | 200 | 126 Ų | 126 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | | | trans | -73.6 | 82.9 | 169.9 | -169.5 | 165.6 | 94.5 | 0 | 0 | 107 | K45 | K45-E47 PolarHBondContact O-N 2.83Å; K45-E47 VanDerWaalsContact O-N 3.14Å |
| 48 | E | 50.6 | Low | 55.5 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -71.4 | 131.6 | 169.8 | 179.3 | 175.5 | 83.8 | 0 | 0 | 109.7 | E46 | E46-E48 PolarHBondContact O-N 3.34Š|
| 49 | V | 56.2 | Low | 56.9 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 62% | 0.618 | 77% | 0.77 | S | S | * | * | | | trans | 68.2 | 98.2 | 155.1 | 172.5 | 0 | 0 | 0 | 0 | 116 | A51 | V49-A51 HydrophobicContact CG1-CB 4.14Š|
| 50 | S | 51.1 | Low | 57.6 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | | -115.2 | 81.2 | 124.6 | -75.1 | 0 | 0 | 0 | 0 | 108.5 | A52 | S50-A52 PolarHBondContact O-N 3.34Š|
| 51 | A | 59.5 | Low | 58.9 | Low | 83 Ų | 83 | 124.5 Ų | 124.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | -66.4 | 75.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | V49 G53 | V49-A51 HydrophobicContact CG1-CB 4.14Å; A51-G53 PolarHBondContact O-N 2.93Å |
| 52 | A | 56.4 | Low | 60.1 | Low | 92 Ų | 92 | 129.2 Ų | 129.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -63.1 | 95.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | S50 S54 | S50-A52 PolarHBondContact O-N 3.34Å; A52-S54 PolarHBondContact O-N 3.27Å |
| 53 | G | 56.6 | Low | 60.6 | Low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -47.8 | 112 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | A51 S55 | A51-G53 PolarHBondContact O-N 2.93Å; G53-S55 VanDerWaalsContact C-N 3.31Å; G53-S55 PolarHBondContact O-N 3.01Å |
| 54 | S | 63.2 | Low | 61.3 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -60.4 | 101.6 | 169.2 | -178 | 0 | 0 | 0 | 0 | 106.1 | A52 S56 | A52-S54 PolarHBondContact O-N 3.27Å; S54-S56 PolarHBondContact O-N 3.11Å |
| 55 | S | 64.7 | Low | 61.8 | Low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 103.4 | 169.9 | -175.4 | 0 | 0 | 0 | 0 | 105.4 | G53 | G53-S55 VanDerWaalsContact C-N 3.31Å; G53-S55 PolarHBondContact O-N 3.01Å |
| 56 | S | 72.8 | Confident | 62.3 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 136.3 | 172.3 | -61.9 | 0 | 0 | 0 | 0 | 108.8 | S54 | S54-S56 PolarHBondContact O-N 3.11Š|
| 57 | P | 74.7 | Confident | 62.8 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143 | 178.6 | 23.7 | -32.8 | 0 | 0 | 0 | 109.2 | Q59 | P57-Q59 PolarHBondContact O-N 3.08Å; P57-Q59 VanDerWaalsContact O-N 3.08Å |
| 58 | P | 71.4 | Confident | 63.4 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123.3 | 176.1 | 23.3 | -32.2 | 0 | 0 | 0 | 107.9 | S60 | P58-S60 PolarHBondContact O-N 3.03Å; P58-S60 VanDerWaalsContact O-N 3.11Å |
| 59 | Q | 74.6 | Confident | 64.1 | Low | 192 Ų | 192 | 109.1 Ų | 109.1 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.4 | 177.5 | -73.7 | -161.6 | -94.6 | 0 | 0 | 108.1 | P57 | P57-Q59 PolarHBondContact O-N 3.08Å; P57-Q59 VanDerWaalsContact O-N 3.08Å |
| 60 | S | 71.3 | Confident | 64.6 | Low | 104 Ų | 104 | 107.6 Ų | 107.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 145.1 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | P58 Q62 | P58-S60 PolarHBondContact O-N 3.03Å; P58-S60 VanDerWaalsContact O-N 3.11Å; S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 2.76Å |
| 61 | P | 68.4 | Low | 65.6 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | | | trans | -59.2 | 102.8 | 168.8 | -12.1 | 25 | 0 | 0 | 0 | 106.5 | G63 | P61-G63 PolarHBondContact O-N 2.77Š|
| 62 | Q | 70.4 | Confident | 66 | Low | 199 Ų | 199 | 110.8 Ų | 110.8 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | | | trans | -73.8 | 62.1 | 162.4 | -164.3 | 169.6 | -55.9 | 0 | 0 | 106.1 | S60 G64 | S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 2.76Å; Q62-G64 PolarHBondContact O-N 2.99Å |
| 63 | G | 58.2 | Low | 66.7 | Low | 61 Ų | 61 | 114.2 Ų | 114.2 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | -66.6 | 116.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P61 A65 | P61-G63 PolarHBondContact O-N 2.77Å; G63-A65 PolarHBondContact O-N 2.93Å |
| 64 | G | 64.3 | Low | 67.6 | Low | 74 Ų | 74 | 115.5 Ų | 115.5 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | | | trans | -55 | 103.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q62 S66 | Q62-G64 PolarHBondContact O-N 2.99Å; G64-S66 PolarHBondContact O-N 3.26Å |
| 65 | A | 63.3 | Low | 68 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 92% | 0.917 | 71% | 0.71 | S | S | * | * | | | trans | -76.7 | 68 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G63 | G63-A65 PolarHBondContact O-N 2.93Š|
| 66 | S | 62 | Low | 68.4 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -144.5 | 65.1 | 179.2 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | G64 | G64-S66 PolarHBondContact O-N 3.26Š|
| 67 | S | 61.9 | Low | 68.1 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -157.7 | -24.9 | 163.5 | -154.3 | 0 | 0 | 0 | 0 | 114.2 | I69 S70 | S67-I69 PolarHBondContact O-N 3.47Å; S67-S70 PolarHBondContact O-OG 3.49Å |
| 68 | S | 60.8 | Low | 67.8 | Low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.2 | -29 | -174.4 | -43.5 | 0 | 0 | 0 | 0 | 113.7 | S70 V71 Y72 | S68-S70 PolarHBondContact O-N 3.44Å; S68-V71 PolarHBondContact O-N 3.46Å; S68-Y72 WeakPolarHBondContact O-CD2 3.09Å; S68-Y72 PolarHBondContact O-N 3.35Å |
| 69 | I | 65.3 | Low | 67.4 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 64% | 0.641 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.6 | -31 | -170.7 | -160.7 | 146.5 | 0 | 0 | 0 | 113.6 | S67 Y73 | S67-I69 PolarHBondContact O-N 3.47Å; I69-Y73 PolarHBondContact O-N 3.46Å; I69-Y73 HydrophobicContact CG1-CE2 4.2Å; I69-Y73 HydrophobicContact CG1-CD2 4.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å |
| 70 | S | 65.1 | Low | 66.8 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -69.9 | -39.3 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | S67 S68 Y72 Y73 T74 | S67-S70 PolarHBondContact O-OG 3.49Å; S68-S70 PolarHBondContact O-N 3.44Å; S70-Y72 PolarHBondContact O-N 3.44Å; S70-Y72 VanDerWaalsContact C-N 3.32Å; S70-Y73 PolarHBondContact O-N 3.15Å; S70-T74 PolarHBondContact O-N 3.14Å; S70-T74 VanDerWaalsContact O-N 3.14Å; S70-T74 PolarHBondContact O-OG1 3.48Å |
| 71 | V | 71.8 | Confident | 66.3 | Low | 97 Ų | 97 | 122.8 Ų | 122.8 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.4 | -38.4 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 111 | S68 L75 | S68-V71 PolarHBondContact O-N 3.46Å; V71-L75 PolarHBondContact O-N 3.43Å; V71-L75 VanDerWaalsContact O-N 3.14Å |
| 72 | Y | 69.3 | Low | 65.7 | Low | 174 Ų | 174 | 119.5 Ų | 119.5 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.5 | -40.8 | 175.8 | -78.4 | -70 | 0 | 0 | 0 | 112.7 | S68 S70 L75 W76 | S68-Y72 WeakPolarHBondContact O-CD2 3.09Å; S68-Y72 PolarHBondContact O-N 3.35Å; S70-Y72 PolarHBondContact O-N 3.44Å; S70-Y72 VanDerWaalsContact C-N 3.32Å; Y72-L75 PolarHBondContact O-N 3.11Å; Y72-W76 PolarHBondContact O-N 3.41Å; Y72-W76 WeakPolarHBondContact O-CB 3.42Å |
| 73 | Y | 70.9 | Confident | 65.2 | Low | 165 Ų | 165 | 114.7 Ų | 114.7 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.2 | -43.7 | 177.3 | -93.5 | -80.5 | 0 | 0 | 0 | 112.5 | I69 S70 L75 W76 S77 | I69-Y73 PolarHBondContact O-N 3.46Å; I69-Y73 HydrophobicContact CG1-CE2 4.2Å; I69-Y73 HydrophobicContact CG1-CD2 4.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; S70-Y73 PolarHBondContact O-N 3.15Å; Y73-L75 VanDerWaalsContact C-N 3.32Å; Y73-L75 PolarHBondContact O-N 3.37Å; Y73-W76 PolarHBondContact O-N 3.27Å; Y73-S77 PolarHBondContact O-N 3.14Å; Y73-S77 VanDerWaalsContact O-N 3.15Å; Y73-S77 PolarHBondContact O-OG 3.36Å |
| 74 | T | 74.6 | Confident | 65.4 | Low | 96 Ų | 96 | 116.9 Ų | 116.9 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -62.2 | -40.6 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | S70 Q78 | S70-T74 PolarHBondContact O-N 3.14Å; S70-T74 VanDerWaalsContact O-N 3.14Å; S70-T74 PolarHBondContact O-OG1 3.48Å; T74-Q78 WeakPolarHBondContact O-CG 3.39Å; T74-Q78 PolarHBondContact O-N 3.43Å |
| 75 | L | 71.3 | Confident | 65.3 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 67% | 0.665 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.2 | -33.9 | -179.2 | -159.5 | 66.8 | 0 | 0 | 0 | 112.5 | V71 Y72 Y73 F79 | V71-L75 PolarHBondContact O-N 3.43Å; V71-L75 VanDerWaalsContact O-N 3.14Å; Y72-L75 PolarHBondContact O-N 3.11Å; Y73-L75 VanDerWaalsContact C-N 3.32Å; Y73-L75 PolarHBondContact O-N 3.37Å; L75-F79 PolarHBondContact O-N 3.04Å |
| 76 | W | 73.6 | Confident | 65.3 | Low | 190 Ų | 190 | 120.7 Ų | 120.7 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.1 | -46.8 | 175 | -175.3 | -87.5 | 0 | 0 | 0 | 112.1 | Y72 Y73 Q78 F79 D80 | Y72-W76 PolarHBondContact O-N 3.41Å; Y72-W76 WeakPolarHBondContact O-CB 3.42Å; Y73-W76 PolarHBondContact O-N 3.27Å; W76-Q78 PolarHBondContact O-N 3.34Å; W76-Q78 VanDerWaalsContact C-N 3.3Å; W76-F79 PolarHBondContact O-N 3.26Å; W76-F79 VanDerWaalsContact O-N 3.11Å; W76-D80 PolarHBondContact O-N 3.12Å |
| 77 | S | 66.3 | Low | 65.2 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 51% | 0.51 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -62.5 | -35 | 179 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | Y73 F79 D80 E81 | Y73-S77 PolarHBondContact O-N 3.14Å; Y73-S77 VanDerWaalsContact O-N 3.15Å; Y73-S77 PolarHBondContact O-OG 3.36Å; S77-F79 PolarHBondContact O-N 3.46Å; S77-D80 PolarHBondContact O-N 2.97Å; S77-E81 PolarHBondContact O-N 2.88Å |
| 78 | Q | 68.2 | Low | 65.1 | Low | 133 Ų | 133 | 127.6 Ų | 127.6 | 62% | 0.621 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66 | -26.6 | 176.1 | -72.6 | -71.2 | 92.2 | 0 | 0 | 113.3 | T74 W76 G82 | T74-Q78 WeakPolarHBondContact O-CG 3.39Å; T74-Q78 PolarHBondContact O-N 3.43Å; W76-Q78 PolarHBondContact O-N 3.34Å; W76-Q78 VanDerWaalsContact C-N 3.3Å; Q78-G82 PolarHBondContact O-N 3.18Å |
| 79 | F | 63 | Low | 65.2 | Low | 171 Ų | 171 | 132.8 Ų | 132.8 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -78.5 | -34.1 | -179 | -157 | -91.5 | 0 | 0 | 0 | 112.1 | L75 W76 S77 | L75-F79 PolarHBondContact O-N 3.04Å; W76-F79 PolarHBondContact O-N 3.26Å; W76-F79 VanDerWaalsContact O-N 3.11Å; S77-F79 PolarHBondContact O-N 3.46Å |
| 80 | D | 62.3 | Low | 65 | Low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -73.6 | -37.9 | 179 | -145.2 | -99.3 | 0 | 0 | 0 | 111.5 | W76 S77 G82 | W76-D80 PolarHBondContact O-N 3.12Å; S77-D80 PolarHBondContact O-N 2.97Å; D80-G82 VanDerWaalsContact C-N 3.31Å; D80-G82 PolarHBondContact O-N 3.04Å |
| 81 | E | 61.1 | Low | 64.6 | Low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -12.1 | -179.3 | -158.3 | 156.9 | 115.7 | 0 | 0 | 113.7 | S77 | S77-E81 PolarHBondContact O-N 2.88Š|
| 82 | G | 56.5 | Low | 64.1 | Low | 58 Ų | 58 | 138.5 Ų | 138.5 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q78 D80 S84 | Q78-G82 PolarHBondContact O-N 3.18Å; D80-G82 VanDerWaalsContact C-N 3.31Å; D80-G82 PolarHBondContact O-N 3.04Å; G82-S84 PolarHBondContact O-N 3.49Å |
| 83 | S | 59.3 | Low | 63.3 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | trans | -86.2 | 54.2 | 179.6 | -67 | 0 | 0 | 0 | 0 | 112.1 | S85 | S83-S85 PolarHBondContact O-N 3.42Š|
| 84 | S | 62.5 | Low | 63 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | -75.3 | 101.1 | 160.1 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | G82 Q86 | G82-S84 PolarHBondContact O-N 3.49Å; S84-Q86 VanDerWaalsContact C-N 3.35Å; S84-Q86 PolarHBondContact O-N 3.35Å |
| 85 | S | 62.8 | Low | 62 | Low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 102.8 | 166.7 | -61.3 | 0 | 0 | 0 | 0 | 106.3 | S83 E87 | S83-S85 PolarHBondContact O-N 3.42Å; S85-E87 PolarHBondContact O-N 3.31Å |
| 86 | Q | 62.6 | Low | 61.2 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -63.9 | 95.4 | 165.2 | -174.3 | 176.6 | -26.8 | 0 | 0 | 105.7 | S84 E88 | S84-Q86 VanDerWaalsContact C-N 3.35Å; S84-Q86 PolarHBondContact O-N 3.35Å; Q86-E88 PolarHBondContact O-N 3.35Å; Q86-E88 VanDerWaalsContact O-N 3.12Å |
| 87 | E | 60.5 | Low | 60.6 | Low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -57.1 | 113.7 | 162.4 | 52.5 | -164.8 | 89.5 | 0 | 0 | 106.8 | S85 E89 | S85-E87 PolarHBondContact O-N 3.31Å; E87-E89 PolarHBondContact O-N 3.12Å |
| 88 | E | 60 | Low | 60.3 | Low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -70.6 | 98.9 | 178.4 | -52.8 | -131.9 | 108.6 | 0 | 0 | 107 | Q86 E90 | Q86-E88 PolarHBondContact O-N 3.35Å; Q86-E88 VanDerWaalsContact O-N 3.12Å; E88-E90 PolarHBondContact O-N 3.01Å; E88-E90 VanDerWaalsContact O-N 3.12Å |
| 89 | E | 62.8 | Low | 59.9 | Low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 107.4 | 160.2 | -171.2 | 177.1 | 90.2 | 0 | 0 | 106.4 | E87 | E87-E89 PolarHBondContact O-N 3.12Š|
| 90 | E | 60.8 | Low | 59.7 | Low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -51.6 | 141 | -178.7 | -63.9 | -174.8 | 103.5 | 0 | 0 | 111 | E88 S92 | E88-E90 PolarHBondContact O-N 3.01Å; E88-E90 VanDerWaalsContact O-N 3.12Å; E90-S92 PolarHBondContact O-N 2.99Å |
| 91 | P | 56.4 | Low | 59.5 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -68.1 | 97.9 | 176 | 27.4 | -30.5 | 0 | 0 | 0 | 108.5 | S93 | P91-S93 PolarHBondContact O-N 2.83Š|
| 92 | S | 60.7 | Low | 59.4 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -63 | 112.2 | 173.7 | -76.8 | 0 | 0 | 0 | 0 | 109 | E90 | E90-S92 PolarHBondContact O-N 2.99Š|
| 93 | S | 53.1 | Low | 59.6 | Low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -29.6 | 133.7 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 114.6 | P91 V95 | P91-S93 PolarHBondContact O-N 2.83Å; S93-V95 PolarHBondContact O-N 3.45Å |
| 94 | S | 65.8 | Low | 59.7 | Low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -37.5 | 129 | 158.4 | -31.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 95 | V | 53 | Low | 59.4 | Low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -143.7 | 108 | 142.3 | 168.2 | 0 | 0 | 0 | 0 | 107.2 | S93 | S93-V95 PolarHBondContact O-N 3.45Š|
| 96 | D | 53.5 | Low | 59.2 | Low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | | | trans | -93.9 | 132.8 | 160.2 | -175.6 | -101.5 | 0 | 0 | 0 | 107.3 | | |
| 97 | P | 60.8 | Low | 58.8 | Low | 172 Ų | 172 | 147.4 Ų | 147.4 | 100% | 1.117 | 84% | 0.836 | S | S | * | * | | | | -135.2 | 0 | 115.7 | 38.6 | -31.2 | 0 | 0 | 0 | 115.5 | | |