| 1 | G | 42.4 | Very low | 54.7 | Low | 133 Ų | 133 | 147.2 Ų | 147.2 | 100% | 1.371 | 86% | 0.863 | S | S | * | * | | | | 0 | 94 | 0 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 2 | D | 42.9 | Very low | 54.1 | Low | 149 Ų | 149 | 156.4 Ų | 156.4 | 80% | 0.797 | 87% | 0.872 | S | S | * | * | | | trans | -83.5 | 125.4 | -169.6 | -150.6 | -9.4 | 0 | 0 | 0 | 108.8 | F4 | D2-F4 WeakPolarHBondContact O-CE2 3.19Š|
| 3 | Q | 56.5 | Low | 53.2 | Low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 87% | 0.865 | S | S | * | * | | | trans | -98.8 | 102 | 174.2 | -78.2 | -164.5 | 96.7 | 0 | 0 | 108.9 | | |
| 4 | F | 60.9 | Low | 53.3 | Low | 182 Ų | 182 | 150.1 Ų | 150.1 | 80% | 0.798 | 87% | 0.868 | S | S | * | * | | | trans | -29.5 | 137.7 | 157.7 | -52.4 | -96.8 | 0 | 0 | 0 | 114.2 | D2 | D2-F4 WeakPolarHBondContact O-CE2 3.19Š|
| 5 | L | 58 | Low | 53 | Low | 171 Ų | 171 | 152.4 Ų | 152.4 | 90% | 0.895 | 87% | 0.868 | S | S | * | * | | | | -165.1 | 96.8 | 126.1 | -112.4 | 109.1 | 0 | 0 | 0 | 108.1 | | |
| 6 | V | 57.7 | Low | 52.8 | Low | 135 Ų | 135 | 148.7 Ų | 148.7 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | | | trans | -96.8 | 122.3 | 170.2 | 171.6 | 0 | 0 | 0 | 0 | 107.6 | A8 | V6-A8 PolarHBondContact O-N 3.44Š|
| 7 | P | 57.8 | Low | 52.5 | Low | 120 Ų | 120 | 151.5 Ų | 151.5 | 78% | 0.779 | 86% | 0.858 | S | S | * | * | | | trans | -79.3 | 113.7 | 160 | -17.3 | 32.8 | 0 | 0 | 0 | 109.8 | H9 | P7-H9 PolarHBondContact O-N 2.98Š|
| 8 | A | 59 | Low | 52.1 | Low | 97 Ų | 97 | 151.1 Ų | 151.1 | 80% | 0.802 | 85% | 0.853 | S | S | * | * | | | trans | -69.3 | 120.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | V6 | V6-A8 PolarHBondContact O-N 3.44Š|
| 9 | H | 57.7 | Low | 52.3 | Low | 167 Ų | 167 | 152.3 Ų | 152.3 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | | | trans | -142.4 | 85.8 | 160.1 | 152.9 | -90.2 | 0 | 0 | 0 | 106.1 | P7 | P7-H9 PolarHBondContact O-N 2.98Š|
| 10 | E | 57.8 | Low | 52.6 | Low | 197 Ų | 197 | 155.9 Ų | 155.9 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | | | trans | -93.9 | 120.9 | 158.3 | -74.8 | -170.9 | 121 | 0 | 0 | 107.6 | | |
| 11 | A | 51.3 | Low | 52.4 | Low | 80 Ų | 80 | 155.1 Ų | 155.1 | 66% | 0.661 | 85% | 0.854 | S | S | * | * | | | trans | -158.2 | 92.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 12 | R | 46.8 | Very low | 52.8 | Low | 258 Ų | 258 | 153.3 Ų | 153.3 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | | | trans | 19.3 | 124.5 | 141.9 | -82.9 | 177.9 | 163.7 | -118.9 | -0.7 | 118.1 | | |
| 13 | G | 42.4 | Very low | 52.8 | Low | 75 Ų | 75 | 149.8 Ų | 149.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | | | trans | 172 | 82 | 152 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q15 | G13-Q15 PolarHBondContact O-N 3.01Š|
| 14 | T | 54.5 | Low | 52.5 | Low | 149 Ų | 149 | 146 Ų | 146 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | | | trans | -56.8 | 102.4 | 159.6 | 42.9 | 0 | 0 | 0 | 0 | 109 | | |
| 15 | Q | 49.7 | Very low | 51.6 | Low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | trans | -159.1 | 132.6 | 153.4 | -156.1 | 168.6 | 6.4 | 0 | 0 | 111.8 | G13 | G13-Q15 PolarHBondContact O-N 3.01Š|
| 16 | S | 48.9 | Very low | 51.4 | Low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | | | trans | 83.9 | 90.5 | 162.1 | -155.8 | 0 | 0 | 0 | 0 | 115.2 | D18 | S16-D18 PolarHBondContact O-N 3.15Š|
| 17 | E | 48.3 | Very low | 50.8 | Low | 196 Ų | 196 | 141.6 Ų | 141.6 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -49.9 | 92.9 | 140.5 | -87.9 | 167.6 | 70.2 | 0 | 0 | 107.8 | Q19 | E17-Q19 PolarHBondContact O-N 2.8Å; E17-Q19 VanDerWaalsContact O-N 3.16Å |
| 18 | D | 45.7 | Very low | 50.3 | Low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | | | trans | -64.1 | 112 | 169.2 | -172.7 | 48.3 | 0 | 0 | 0 | 107.2 | S16 R20 | S16-D18 PolarHBondContact O-N 3.15Å; D18-R20 PolarHBondContact O-N 3.18Å |
| 19 | Q | 54.9 | Low | 49.8 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | | | trans | -59.8 | 123 | -179.2 | -65.3 | -179.7 | 44.1 | 0 | 0 | 109 | E17 | E17-Q19 PolarHBondContact O-N 2.8Å; E17-Q19 VanDerWaalsContact O-N 3.16Å |
| 20 | R | 58.5 | Low | 49.2 | Very low | 224 Ų | 224 | 145.2 Ų | 145.2 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | trans | 15.4 | 124.7 | 155.7 | -47.8 | -169.3 | -155.5 | 168.8 | 6.6 | 116.8 | D18 A22 | D18-R20 PolarHBondContact O-N 3.18Å; R20-A22 PolarHBondContact O-N 3.42Å |
| 21 | P | 49.5 | Very low | 48.7 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -77.3 | 93.5 | 162.8 | 31.5 | -28.5 | 0 | 0 | 0 | 109 | | |
| 22 | A | 50 | Low | 48.7 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 118.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | R20 | R20-A22 PolarHBondContact O-N 3.42Š|
| 23 | G | 43.5 | Very low | 48.8 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 153.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 24 | A | 48.5 | Very low | 49 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 135.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 25 | A | 42.3 | Very low | 48.6 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | -151.5 | 98.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | E27 | A25-E27 PolarHBondContact O-N 2.84Š|
| 26 | S | 53.8 | Low | 48.8 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -65.3 | 105.2 | 157.6 | -69.8 | 0 | 0 | 0 | 0 | 107.6 | S28 | S26-S28 PolarHBondContact O-N 3.05Š|
| 27 | E | 45.6 | Very low | 49.1 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -67.4 | 121.2 | 164.6 | -71.9 | -178.8 | 103.3 | 0 | 0 | 107.8 | A25 E29 | A25-E27 PolarHBondContact O-N 2.84Å; E27-E29 PolarHBondContact O-N 2.79Å |
| 28 | S | 46.7 | Very low | 49 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | -70.8 | 117.6 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 109 | S26 L30 | S26-S28 PolarHBondContact O-N 3.05Å; S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 2.73Å |
| 29 | E | 48.8 | Very low | 49.5 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -59.2 | 87.5 | 165.1 | -173.7 | -176.5 | 99 | 0 | 0 | 109.1 | E27 Q31 | E27-E29 PolarHBondContact O-N 2.79Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 2.97Å |
| 30 | L | 46.5 | Very low | 49.4 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | -83.2 | 85.4 | 167.6 | -80.6 | 175.4 | 0 | 0 | 0 | 108.5 | S28 E32 | S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 2.73Å; L30-E32 PolarHBondContact O-N 2.85Å; L30-E32 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 45.5 | Very low | 49.4 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | trans | 16 | 85.5 | 145.9 | -144.5 | 178.2 | -12.3 | 0 | 0 | 115.3 | E29 E33 | E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 2.97Å; Q31-E33 PolarHBondContact O-N 2.82Å |
| 32 | E | 51.8 | Low | 49.5 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | -76.6 | 77.8 | 163.5 | -168.4 | -175.5 | 107.9 | 0 | 0 | 108.4 | L30 | L30-E32 PolarHBondContact O-N 2.85Å; L30-E32 VanDerWaalsContact O-N 3.14Å |
| 33 | E | 49.4 | Very low | 49.9 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -100.1 | 101.3 | 162.5 | -162.7 | 177.4 | 135 | 0 | 0 | 107.3 | Q31 | Q31-E33 PolarHBondContact O-N 2.82Š|
| 34 | G | 47.3 | Very low | 50.5 | Low | 53 Ų | 53 | 149.2 Ų | 149.2 | 55% | 0.546 | 82% | 0.815 | S | S | . | * | | | trans | -64.9 | 164.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K36 | G34-K36 PolarHBondContact O-N 3.13Š|
| 35 | P | 45.5 | Very low | 50.3 | Low | 135 Ų | 135 | 152.7 Ų | 152.7 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -82.1 | 107.1 | 167.1 | 22.5 | -14.6 | 0 | 0 | 0 | 110.2 | L37 | P35-L37 PolarHBondContact O-N 3.34Š|
| 36 | K | 54 | Low | 50.9 | Low | 200 Ų | 200 | 152.7 Ų | 152.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | | | trans | -54.5 | 128.2 | 165.6 | -66.3 | -177.7 | 179.6 | -177.2 | 0 | 109.9 | G34 G38 | G34-K36 PolarHBondContact O-N 3.13Å; K36-G38 PolarHBondContact O-N 2.81Å |
| 37 | L | 55 | Low | 50.6 | Low | 179 Ų | 179 | 150.5 Ų | 150.5 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | | | trans | -49.9 | 101.2 | 158.4 | -175.6 | 76 | 0 | 0 | 0 | 108.8 | P35 | P35-L37 PolarHBondContact O-N 3.34Š|
| 38 | G | 46.8 | Very low | 50.8 | Low | 65 Ų | 65 | 146.6 Ų | 146.6 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | -130.9 | 102.9 | 175 | 0 | 0 | 0 | 0 | 0 | 108.7 | K36 E40 | K36-G38 PolarHBondContact O-N 2.81Å; G38-E40 PolarHBondContact O-N 3.27Å |
| 39 | E | 55.4 | Low | 51.1 | Low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -53.6 | 106.6 | 168 | -78.5 | 169.6 | 69 | 0 | 0 | 110.4 | | |
| 40 | E | 52.8 | Low | 51.4 | Low | 173 Ų | 173 | 147.7 Ų | 147.7 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -109.3 | 105.1 | 153.6 | -167.5 | 176.8 | 122.8 | 0 | 0 | 108.3 | G38 | G38-E40 PolarHBondContact O-N 3.27Š|
| 41 | R | 58.3 | Low | 51.8 | Low | 220 Ų | 220 | 148.2 Ų | 148.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | | | trans | -44.4 | 133.9 | 175.8 | -84.3 | 172.5 | 159.4 | 177.4 | -5.5 | 112.3 | K43 | R41-K43 PolarHBondContact O-N 2.83Š|
| 42 | P | 52.3 | Low | 52.7 | Low | 126 Ų | 126 | 148.3 Ų | 148.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -68.8 | 124.7 | 165.7 | 26.2 | -29.7 | 0 | 0 | 0 | 110.2 | | |
| 43 | K | 58.1 | Low | 53.7 | Low | 179 Ų | 179 | 140.9 Ų | 140.9 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | -63.7 | 127.7 | 167.8 | -77.1 | 148.8 | 179.6 | 155.2 | 0 | 109.1 | R41 H45 | R41-K43 PolarHBondContact O-N 2.83Å; K43-H45 PolarHBondContact O-N 2.83Å; K43-H45 VanDerWaalsContact O-N 3.13Å |
| 44 | P | 56.4 | Low | 54.4 | Low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -78.1 | 97.8 | 171.2 | 30.2 | -29.5 | 0 | 0 | 0 | 108.3 | | |
| 45 | H | 44.4 | Very low | 55.2 | Low | 182 Ų | 182 | 144.3 Ų | 144.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -88.8 | 115.9 | 168.9 | -154.8 | -81.3 | 0 | 0 | 0 | 109.5 | K43 | K43-H45 PolarHBondContact O-N 2.83Å; K43-H45 VanDerWaalsContact O-N 3.13Å |
| 46 | A | 53.8 | Low | 56.2 | Low | 88 Ų | 88 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -46.4 | 144.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 47 | G | 48.8 | Very low | 56.5 | Low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | 121.8 | 42.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L49 | G47-L49 PolarHBondContact O-N 2.74Š|
| 48 | A | 48.9 | Very low | 56.7 | Low | 106 Ų | 106 | 136.7 Ų | 136.7 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | | | trans | -66.9 | 85.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E50 | A48-E50 PolarHBondContact O-N 2.86Š|
| 49 | L | 53.5 | Low | 57.6 | Low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | 11.8 | 100.2 | 138.7 | -165 | 93 | 0 | 0 | 0 | 112 | G47 E51 | G47-L49 PolarHBondContact O-N 2.74Å; L49-E51 PolarHBondContact O-N 2.9Å |
| 50 | E | 54.2 | Low | 57.9 | Low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -45.3 | 107.9 | 169.9 | -84.7 | -177.7 | 77.4 | 0 | 0 | 108.8 | A48 R52 | A48-E50 PolarHBondContact O-N 2.86Å; E50-R52 PolarHBondContact O-N 3.06Å |
| 51 | E | 55.7 | Low | 58.7 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -65.6 | 88.5 | 170.3 | -178.7 | -107 | 119.3 | 0 | 0 | 106.8 | L49 | L49-E51 PolarHBondContact O-N 2.9Š|
| 52 | R | 65.1 | Low | 59.3 | Low | 159 Ų | 159 | 132.8 Ų | 132.8 | 60% | 0.6 | 75% | 0.745 | S | S | * | * | | | trans | -97.1 | 104.1 | 164.5 | -77.4 | -84.9 | -168.8 | 155.5 | -4.3 | 105.4 | E50 R55 | E50-R52 PolarHBondContact O-N 3.06Å; R52-R55 HydrophobicContact CB-CG 4.21Å |
| 53 | G | 72.4 | Confident | 60.2 | Low | 42 Ų | 42 | 132.9 Ų | 132.9 | 43% | 0.433 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -43 | 164.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R55 | G53-R55 PolarHBondContact O-N 2.85Š|
| 54 | P | 63.5 | Low | 60.7 | Low | 134 Ų | 134 | 135.4 Ų | 135.4 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.4 | 96.1 | -155.4 | 17.5 | -31.3 | 0 | 0 | 0 | 111.8 | P56 | P54-P56 WeakPolarHBondContact O-CD 3.33Š|
| 55 | R | 65.1 | Low | 61.2 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | | | trans | -77.3 | 113.9 | 171.8 | -70.8 | -167.9 | 179.3 | -139 | 12.5 | 105.1 | R52 G53 V57 | R52-R55 HydrophobicContact CB-CG 4.21Å; G53-R55 PolarHBondContact O-N 2.85Å; R55-V57 PolarHBondContact O-N 3.1Å |
| 56 | P | 64.6 | Low | 62.7 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | trans | -60.8 | 107.9 | 173.1 | 24.3 | -30.7 | 0 | 0 | 0 | 107.1 | P54 V58 | P54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-V58 HydrophobicContact CB-CG1 4.45Å; P56-V58 PolarHBondContact O-N 2.89Å |
| 57 | V | 60.3 | Low | 63.7 | Low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -74.6 | 70.4 | 167.9 | -175.2 | 0 | 0 | 0 | 0 | 106 | R55 S59 | R55-V57 PolarHBondContact O-N 3.1Å; V57-S59 PolarHBondContact O-N 3.11Å |
| 58 | V | 60.7 | Low | 64.7 | Low | 109 Ų | 109 | 135.9 Ų | 135.9 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | trans | -70.1 | 93 | 161.4 | -73.2 | 0 | 0 | 0 | 0 | 105.5 | P56 I60 | P56-V58 HydrophobicContact CB-CG1 4.45Å; P56-V58 PolarHBondContact O-N 2.89Å; V58-I60 PolarHBondContact O-N 2.96Å |
| 59 | S | 64.6 | Low | 65.9 | Low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | -64 | 96.6 | 156.8 | 68.8 | 0 | 0 | 0 | 0 | 105.4 | V57 V61 | V57-S59 PolarHBondContact O-N 3.11Å; S59-V61 PolarHBondContact O-N 3.11Å |
| 60 | I | 61.5 | Low | 66.8 | Low | 156 Ų | 156 | 143.2 Ų | 143.2 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | | | trans | -64.2 | 75.8 | 161 | 29.4 | 168.8 | 0 | 0 | 0 | 106.7 | V58 R62 | V58-I60 PolarHBondContact O-N 2.96Å; I60-R62 PolarHBondContact O-N 3.3Å |
| 61 | V | 69.6 | Low | 67.5 | Low | 117 Ų | 117 | 141.2 Ų | 141.2 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | | | trans | -57.1 | 99.4 | 155.4 | 172.3 | 0 | 0 | 0 | 0 | 103.9 | S59 P63 | S59-V61 PolarHBondContact O-N 3.11Å; V61-P63 WeakPolarHBondContact O-CD 3.19Å; V61-P63 VanDerWaalsContact O-N 3.14Å |
| 62 | R | 71.6 | Confident | 67.8 | Low | 203 Ų | 203 | 139.6 Ų | 139.6 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | -47.9 | 122.6 | 166.7 | -83.6 | 173.5 | 134.3 | 161.4 | -4.7 | 106.2 | I60 R64 | I60-R62 PolarHBondContact O-N 3.3Å; R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 2.86Å |
| 63 | P | 70.9 | Confident | 67.7 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -56.2 | 104.4 | 170.9 | -22.7 | 32.7 | 0 | 0 | 0 | 107.4 | V61 H65 | V61-P63 WeakPolarHBondContact O-CD 3.19Å; V61-P63 VanDerWaalsContact O-N 3.14Å; P63-H65 PolarHBondContact O-N 2.89Å |
| 64 | R | 68.6 | Low | 67.1 | Low | 233 Ų | 233 | 144.2 Ų | 144.2 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | | | trans | -82.8 | 118.2 | 174.6 | -72.9 | -154.9 | -178.3 | -121.5 | 5.6 | 106.8 | R62 | R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 2.86Å |
| 65 | H | 68 | Low | 66.8 | Low | 141 Ų | 141 | 145.9 Ų | 145.9 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | | | trans | 81.7 | 93.3 | 169.1 | -134.9 | -22.2 | 0 | 0 | 0 | 115.6 | P63 | P63-H65 PolarHBondContact O-N 2.89Š|
| 66 | G | 75.6 | Confident | 66.3 | Low | 52 Ų | 52 | 143.7 Ų | 143.7 | 54% | 0.536 | 76% | 0.764 | S | S | . | * | | | trans | -63.4 | 167.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K68 | G66-K68 PolarHBondContact O-N 2.75Š|
| 67 | P | 74 | Confident | 65.9 | Low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -50.9 | 117.4 | -173.8 | -23.8 | 31.6 | 0 | 0 | 0 | 110.8 | R69 | P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 2.86Å |
| 68 | K | 70.1 | Confident | 65.7 | Low | 167 Ų | 167 | 144.4 Ų | 144.4 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 88.2 | 176.2 | -167.8 | 168 | -177.7 | 166.8 | 0 | 108 | G66 K70 | G66-K68 PolarHBondContact O-N 2.75Å; K68-K70 PolarHBondContact O-N 3.41Å |
| 69 | R | 74.1 | Confident | 65.4 | Low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.2 | 175.8 | -62 | -179.2 | 85 | 155.7 | 3.9 | 107.5 | P67 | P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 2.86Å |
| 70 | K | 73.6 | Confident | 64.7 | Low | 185 Ų | 185 | 145.1 Ų | 145.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.9 | 168.5 | -49.1 | -154.9 | -177 | -172.2 | 0 | 107.1 | K68 V72 | K68-K70 PolarHBondContact O-N 3.41Å; K70-V72 PolarHBondContact O-N 2.96Å; K70-V72 VanDerWaalsContact O-N 3.15Å |
| 71 | P | 67.3 | Low | 64.4 | Low | 118 Ų | 118 | 149.8 Ų | 149.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.9 | 176.5 | 22.1 | -30.1 | 0 | 0 | 0 | 108.7 | K73 | P71-K73 PolarHBondContact O-N 3.13Š|
| 72 | V | 63.3 | Low | 63.8 | Low | 139 Ų | 139 | 148.6 Ų | 148.6 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | -59.5 | 109.6 | 167 | 179.9 | 0 | 0 | 0 | 0 | 105 | K70 S74 | K70-V72 PolarHBondContact O-N 2.96Å; K70-V72 VanDerWaalsContact O-N 3.15Å; V72-S74 PolarHBondContact O-N 3.42Å |
| 73 | K | 62.1 | Low | 62.9 | Low | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | trans | -58.9 | 113.2 | 170.9 | -72.8 | 158.1 | 177.2 | 178.9 | 0 | 106.1 | P71 | P71-K73 PolarHBondContact O-N 3.13Š|
| 74 | S | 59.7 | Low | 61.9 | Low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -27.6 | 134.3 | 168.7 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | V72 S76 | V72-S74 PolarHBondContact O-N 3.42Å; S74-S76 PolarHBondContact O-N 3.21Å |
| 75 | L | 57.9 | Low | 60.8 | Low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | 25.4 | 94.8 | 139.1 | -62.2 | 168.3 | 0 | 0 | 0 | 116.4 | | |
| 76 | S | 53.8 | Low | 60.1 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -136 | 78.5 | 143.7 | 62.7 | 0 | 0 | 0 | 0 | 108.8 | S74 P78 | S74-S76 PolarHBondContact O-N 3.21Å; S76-P78 WeakPolarHBondContact O-CD 3.46Å |
| 77 | L | 57.4 | Low | 58.7 | Low | 140 Ų | 140 | 150.2 Ų | 150.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -98.9 | 76.9 | 153.3 | -91.7 | 157 | 0 | 0 | 0 | 108.6 | L80 | L77-L80 HydrophobicContact CD2-CD1 4.25Š|
| 78 | P | 55.1 | Low | 57.6 | Low | 119 Ų | 119 | 148.2 Ų | 148.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -90.4 | 92 | 153.2 | 33.1 | -24.8 | 0 | 0 | 0 | 106.7 | S76 | S76-P78 WeakPolarHBondContact O-CD 3.46Š|
| 79 | G | 54.7 | Low | 56.7 | Low | 61 Ų | 61 | 148.4 Ų | 148.4 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 169.1 | -9.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 80 | L | 50.5 | Low | 55.7 | Low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -121.1 | 39.6 | 179.7 | -66 | 176.4 | 0 | 0 | 0 | 113 | L77 | L77-L80 HydrophobicContact CD2-CD1 4.25Š|
| 81 | R | 55.4 | Low | 55.1 | Low | 253 Ų | 253 | 141.2 Ų | 141.2 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -132.4 | 24.4 | 170.1 | -54.7 | -163.4 | -160 | -104.9 | 6.5 | 114 | | |
| 82 | A | 55.8 | Low | 54.3 | Low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -143.4 | 9.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 83 | H | 53.1 | Low | 53.5 | Low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -154.3 | 68.4 | 173.3 | -144.6 | -89.5 | 0 | 0 | 0 | 114 | | |
| 84 | L | 49.2 | Very low | 53 | Low | 183 Ų | 183 | 142.7 Ų | 142.7 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | | | trans | -132.6 | 47.2 | 153.5 | -139.7 | 133.8 | 0 | 0 | 0 | 108.4 | | |
| 85 | K | 47.2 | Very low | 52.5 | Low | 171 Ų | 171 | 143.3 Ų | 143.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -91.6 | 118.9 | 160.2 | -114.8 | -152.8 | 175.8 | -164.1 | 0 | 107 | | |
| 86 | A | 52.9 | Low | 51.9 | Low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -61.2 | 126.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 87 | E | 44.9 | Very low | 51.7 | Low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -170.7 | 103.4 | 150.5 | -113.1 | 176.5 | 88.4 | 0 | 0 | 104.6 | | |
| 88 | A | 51.6 | Low | 51.5 | Low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | | | | 69.4 | 115.6 | 90.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 89 | E | 51.4 | Low | 51.4 | Low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | 75.4 | 109.3 | 150 | -84 | 177.6 | 103.7 | 0 | 0 | 122.4 | | |
| 90 | L | 53.1 | Low | 51.2 | Low | 152 Ų | 152 | 154.6 Ų | 154.6 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | trans | 96.4 | 134.9 | 137.8 | -58.7 | 174.1 | 0 | 0 | 0 | 120.6 | | |
| 91 | P | 60.7 | Low | 51.6 | Low | 117 Ų | 117 | 152.8 Ų | 152.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -96.6 | 153.1 | 177.2 | 38.3 | -31.3 | 0 | 0 | 0 | 112.4 | | |
| 92 | P | 50.5 | Low | 51.4 | Low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -140.1 | 119.2 | 144.9 | 28 | -8.1 | 0 | 0 | 0 | 114.7 | | |
| 93 | K | 46.8 | Very low | 51.1 | Low | 199 Ų | 199 | 150.7 Ų | 150.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | 50.9 | 108.5 | 130.9 | -65.5 | 168 | 178.1 | 154.3 | 0 | 119.4 | | |
| 94 | L | 50.7 | Low | 51.1 | Low | 170 Ų | 170 | 147.3 Ų | 147.3 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -58.7 | 144 | 144.1 | -59 | 172.7 | 0 | 0 | 0 | 108.7 | | |
| 95 | P | 50.7 | Low | 51.4 | Low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -155.1 | 149 | 79 | 38.2 | -18.7 | 0 | 0 | 0 | 115.6 | | |
| 96 | L | 45 | Very low | 52.1 | Low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -163.6 | 128.7 | 138.1 | -148.1 | 75.5 | 0 | 0 | 0 | 110.5 | E98 | L96-E98 HydrophobicContact CD2-CG 4.49Š|
| 97 | Q | 49.6 | Very low | 52.4 | Low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -116.6 | 114.8 | -177 | 171.2 | -167.5 | -14.1 | 0 | 0 | 105.3 | | |
| 98 | E | 52.7 | Low | 53.2 | Low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -148.9 | 93 | 166.1 | -63.2 | -171.6 | 125.7 | 0 | 0 | 104.9 | L96 | L96-E98 HydrophobicContact CD2-CG 4.49Š|
| 99 | E | 52.1 | Low | 53.7 | Low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | | 52.4 | 96.6 | 88.9 | -164.9 | 174 | 118.3 | 0 | 0 | 113.7 | | |
| 100 | E | 50.5 | Low | 54.1 | Low | 145 Ų | 145 | 145.3 Ų | 145.3 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -166.1 | 118.1 | 130.1 | -165.6 | -177.9 | 93.6 | 0 | 0 | 109.1 | E102 | E100-E102 HydrophobicContact CG-CB 4.4Å; E100-E102 HydrophobicContact CG-CG 4.37Å |
| 101 | P | 60 | Low | 54.4 | Low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -104.5 | 89.2 | 163.6 | 34 | -21.1 | 0 | 0 | 0 | 108.6 | | |
| 102 | E | 49.9 | Very low | 54.5 | Low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -97.8 | 97 | 167.4 | -98.6 | 169.8 | 71.1 | 0 | 0 | 110 | E100 | E100-E102 HydrophobicContact CG-CB 4.4Å; E100-E102 HydrophobicContact CG-CG 4.37Å |
| 103 | D | 49.4 | Very low | 55.3 | Low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | 0.9 | 120.4 | 130.7 | -103.1 | -82 | 0 | 0 | 0 | 113.7 | | |
| 104 | S | 53.3 | Low | 56.6 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | | 178.7 | 129.5 | 120.4 | -84.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 105 | Q | 56.6 | Low | 57.4 | Low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 73.7 | 74.4 | 159.3 | -62 | -172.7 | -87.4 | 0 | 0 | 115.7 | E107 | Q105-E107 VanDerWaalsContact C-N 3.31Å; Q105-E107 PolarHBondContact O-N 3.19Å |
| 106 | S | 62.5 | Low | 58.5 | Low | 122 Ų | 122 | 149.5 Ų | 149.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -36.3 | 97.8 | 135.3 | -173 | 0 | 0 | 0 | 0 | 110.4 | P108 | S106-P108 WeakPolarHBondContact O-CD 3.36Š|
| 107 | E | 58.7 | Low | 59.8 | Low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -75.8 | 119.6 | 165.9 | -136 | -171.1 | 136.5 | 0 | 0 | 106.7 | Q105 S109 | Q105-E107 VanDerWaalsContact C-N 3.31Å; Q105-E107 PolarHBondContact O-N 3.19Å; E107-S109 PolarHBondContact O-N 3.14Å; E107-S109 VanDerWaalsContact O-N 3.1Å |
| 108 | P | 61.6 | Low | 61.1 | Low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -66.4 | 119.2 | 179.9 | 25.5 | -31.2 | 0 | 0 | 0 | 108.9 | S106 | S106-P108 WeakPolarHBondContact O-CD 3.36Š|
| 109 | S | 61.9 | Low | 62.3 | Low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -34.3 | 137.7 | 168.4 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | E107 S111 | E107-S109 PolarHBondContact O-N 3.14Å; E107-S109 VanDerWaalsContact O-N 3.1Å; S109-S111 PolarHBondContact O-N 2.89Å |
| 110 | P | 59.3 | Low | 63.4 | Low | 131 Ų | 131 | 148.3 Ų | 148.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -58.6 | 109 | -178.7 | 23.3 | -32.6 | 0 | 0 | 0 | 109.6 | A112 | P110-A112 PolarHBondContact O-N 3Å; P110-A112 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 60.1 | Low | 64.6 | Low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -52.7 | 117.3 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | S109 K113 | S109-S111 PolarHBondContact O-N 2.89Å; S111-K113 PolarHBondContact O-N 3.2Å |
| 112 | A | 63.2 | Low | 65.2 | Low | 86 Ų | 86 | 156 Ų | 156 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -53.7 | 108.5 | 178 | 0 | 0 | 0 | 0 | 0 | 108.3 | P110 Q114 | P110-A112 PolarHBondContact O-N 3Å; P110-A112 VanDerWaalsContact O-N 3.11Å; A112-Q114 VanDerWaalsContact C-N 3.33Å; A112-Q114 PolarHBondContact O-N 3.38Å |
| 113 | K | 66.2 | Low | 66.2 | Low | 204 Ų | 204 | 153.9 Ų | 153.9 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -50.1 | 98.1 | 175.6 | -162 | 172.9 | -170.5 | 173.6 | 0 | 107.8 | S111 H115 | S111-K113 PolarHBondContact O-N 3.2Å; K113-H115 PolarHBondContact O-N 2.89Å |
| 114 | Q | 74.4 | Confident | 66.8 | Low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -58.7 | 106.4 | 177.1 | -92.8 | -175.2 | -40.9 | 0 | 0 | 107.3 | A112 K116 | A112-Q114 VanDerWaalsContact C-N 3.33Å; A112-Q114 PolarHBondContact O-N 3.38Å; Q114-K116 PolarHBondContact O-N 3.29Å |
| 115 | H | 67 | Low | 67.2 | Low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 82 | 170.1 | -144.7 | 158.7 | 0 | 0 | 0 | 106.8 | K113 K117 | K113-H115 PolarHBondContact O-N 2.89Å; H115-K117 PolarHBondContact O-N 3.44Å |
| 116 | K | 74.3 | Confident | 67.7 | Low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -69.9 | 87.7 | 171.4 | -174.3 | 166.5 | 179.2 | 174.2 | 0 | 107.8 | Q114 A118 | Q114-K116 PolarHBondContact O-N 3.29Å; K116-A118 PolarHBondContact O-N 3.24Å; K116-A118 VanDerWaalsContact O-N 3.11Å |
| 117 | K | 73.2 | Confident | 67.7 | Low | 183 Ų | 183 | 148.6 Ų | 148.6 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | -63.8 | 110.7 | 164.4 | -88.8 | -173.7 | 174.1 | 178.6 | 0 | 107.6 | H115 K119 | H115-K117 PolarHBondContact O-N 3.44Å; K117-K119 PolarHBondContact O-N 3.18Å |
| 118 | A | 76.1 | Confident | 67.8 | Low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -62.9 | 117.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K116 K120 | K116-A118 PolarHBondContact O-N 3.24Å; K116-A118 VanDerWaalsContact O-N 3.11Å; A118-K120 PolarHBondContact O-N 3.37Å; A118-K120 VanDerWaalsContact O-N 3.13Å |
| 119 | K | 78.1 | Confident | 67.6 | Low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -69.4 | 108 | 171.6 | -179.4 | 149.8 | -179.9 | 167.2 | 0 | 108.1 | K117 R121 | K117-K119 PolarHBondContact O-N 3.18Å; K119-R121 PolarHBondContact O-N 3.27Å |
| 120 | K | 75.7 | Confident | 67.5 | Low | 190 Ų | 190 | 153.3 Ų | 153.3 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -63.3 | 101.6 | 169.8 | -147.6 | -178.5 | -170.9 | -179.1 | 0 | 107.6 | A118 K122 | A118-K120 PolarHBondContact O-N 3.37Å; A118-K120 VanDerWaalsContact O-N 3.13Å; K120-K122 PolarHBondContact O-N 3.19Å |
| 121 | R | 75 | Confident | 67.3 | Low | 229 Ų | 229 | 151.4 Ų | 151.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -75.1 | 112.2 | 164.9 | -75.9 | 178.4 | 151.7 | -177.5 | -6.9 | 106.4 | K119 S123 | K119-R121 PolarHBondContact O-N 3.27Å; R121-S123 PolarHBondContact O-N 3.08Å |
| 122 | K | 73.5 | Confident | 66.8 | Low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -75.8 | 112.3 | 160.8 | -70.5 | -174.3 | 177.3 | -173.5 | 0 | 105.9 | K120 L124 | K120-K122 PolarHBondContact O-N 3.19Å; K122-L124 PolarHBondContact O-N 3.12Å |
| 123 | S | 70.1 | Confident | 66 | Low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -67.3 | 123.5 | 174.6 | 47.1 | 0 | 0 | 0 | 0 | 110 | R121 G125 | R121-S123 PolarHBondContact O-N 3.08Å; S123-G125 PolarHBondContact O-N 3.5Å |
| 124 | L | 62.8 | Low | 65.1 | Low | 171 Ų | 171 | 148.7 Ų | 148.7 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | 12.9 | 86.4 | 144 | -55.1 | 171.7 | 0 | 0 | 0 | 115.9 | K122 | K122-L124 PolarHBondContact O-N 3.12Š|
| 125 | G | 61.5 | Low | 63.9 | Low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -76.3 | 112.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S123 | S123-G125 PolarHBondContact O-N 3.5Š|
| 126 | A | 66 | Low | 62.9 | Low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V128 | A126-V128 PolarHBondContact O-N 2.97Š|
| 127 | P | 62.8 | Low | 61.5 | Low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.5 | 160.6 | 27.5 | -29.5 | 0 | 0 | 0 | 106.7 | L129 | P127-L129 PolarHBondContact O-N 3.29Å; P127-L129 VanDerWaalsContact O-N 3.08Å |
| 128 | V | 61 | Low | 60.4 | Low | 142 Ų | 142 | 137.5 Ų | 137.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 118.2 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 106.7 | A126 H130 | A126-V128 PolarHBondContact O-N 2.97Å; V128-H130 PolarHBondContact O-N 2.98Å |
| 129 | L | 58.7 | Low | 59.1 | Low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135.2 | -177.9 | -71.5 | 168.3 | 0 | 0 | 0 | 110.2 | P127 | P127-L129 PolarHBondContact O-N 3.29Å; P127-L129 VanDerWaalsContact O-N 3.08Å |
| 130 | H | 58.3 | Low | 57.9 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -47 | 133.4 | 165.4 | -87.4 | -103.8 | 0 | 0 | 0 | 112.1 | V128 | V128-H130 PolarHBondContact O-N 2.98Š|
| 131 | A | 55.5 | Low | 56.9 | Low | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -122.5 | 102.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 132 | V | 50.1 | Low | 55.9 | Low | 138 Ų | 138 | 130.3 Ų | 130.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | | 59.9 | 119.1 | 99.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 133 | A | 46.6 | Very low | 54.8 | Low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | cis | -161.5 | 145.5 | 7.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 134 | S | 47.7 | Very low | 54.1 | Low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -136.6 | 110.2 | 148.5 | -170.3 | 0 | 0 | 0 | 0 | 107 | | |
| 135 | M | 49 | Very low | 53.4 | Low | 158 Ų | 158 | 133.1 Ų | 133.1 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | | | trans | -65.9 | 164.2 | 179.3 | -67.9 | 168.6 | 37.1 | 0 | 0 | 111.3 | | |
| 136 | V | 45.4 | Very low | 53.2 | Low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | 88.9 | 116.2 | 169.9 | -168.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 137 | S | 45 | Very low | 52.8 | Low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | cis | -155.6 | 155.6 | 23.5 | -99.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 138 | A | 49.7 | Very low | 52.4 | Low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -70.8 | -167.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 139 | P | 48.3 | Very low | 51.8 | Low | 107 Ų | 107 | 152.4 Ų | 152.4 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | | | | -127.3 | 153 | -51.3 | 31.6 | -14.9 | 0 | 0 | 0 | 113.7 | | |
| 140 | L | 54.3 | Low | 51.7 | Low | 135 Ų | 135 | 153.6 Ų | 153.6 | 71% | 0.707 | 81% | 0.808 | S | S | * | * | | | trans | 43.5 | 85 | 134.5 | -164.2 | 69.3 | 0 | 0 | 0 | 119.2 | T142 | L140-T142 WeakPolarHBondContact CD1-OG1 3.45Š|
| 141 | E | 52.9 | Low | 51.4 | Low | 191 Ų | 191 | 149.8 Ų | 149.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -105.4 | 15.2 | 168 | -67.5 | 159.8 | 116.3 | 0 | 0 | 113.2 | L143 | E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.27Å |
| 142 | T | 54 | Low | 51.1 | Low | 122 Ų | 122 | 153.1 Ų | 153.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 39 | 179.6 | 45.9 | 0 | 0 | 0 | 0 | 114.4 | L140 | L140-T142 WeakPolarHBondContact CD1-OG1 3.45Š|
| 143 | L | 51.7 | Low | 50.7 | Low | 147 Ų | 147 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.5 | 21.3 | -178 | -111.7 | 165.8 | 0 | 0 | 0 | 117 | E141 | E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.27Å |
| 144 | R | 55.8 | Low | 50.8 | Low | 235 Ų | 235 | 154 Ų | 154 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -149.8 | 82.3 | 174.8 | -68.3 | -169.3 | -179.1 | -179.3 | 1.1 | 113.6 | | |
| 145 | L | 48 | Very low | 50.8 | Low | 153 Ų | 153 | 154.2 Ų | 154.2 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | | | trans | 173.1 | 24.8 | 134 | -122.7 | 88.5 | 0 | 0 | 0 | 113.4 | R147 | L145-R147 PolarHBondContact O-N 3.16Š|
| 146 | E | 56.4 | Low | 50.7 | Low | 197 Ų | 197 | 155 Ų | 155 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -78 | 76 | 165.6 | -134.2 | -89.3 | 120.4 | 0 | 0 | 107.5 | | |
| 147 | R | 57.3 | Low | 50.4 | Low | 233 Ų | 233 | 153.5 Ų | 153.5 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | 165.6 | 80.1 | 164 | -175.6 | 177.9 | -61.9 | -179.8 | -0.1 | 111.3 | L145 | L145-R147 PolarHBondContact O-N 3.16Š|
| 148 | E | 55.2 | Low | 50.9 | Low | 139 Ų | 139 | 151.9 Ų | 151.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -157.8 | 41.2 | 163.7 | -143.6 | -100.9 | 120.3 | 0 | 0 | 113.3 | | |
| 149 | W | 48 | Very low | 51 | Low | 249 Ų | 249 | 152 Ų | 152 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -140.2 | 15.5 | 166.8 | -69.6 | 105.2 | 0 | 0 | 0 | 113.2 | | |
| 150 | Q | 55.8 | Low | 50.8 | Low | 186 Ų | 186 | 155.1 Ų | 155.1 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -112.5 | 115.1 | 172.2 | -77.9 | 174.7 | 28.3 | 0 | 0 | 108.2 | | |
| 151 | S | 53.5 | Low | 50.5 | Low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | 86.8 | 91.6 | 175.3 | -155.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 152 | L | 49 | Very low | 49.8 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | | -169.1 | 90.3 | 109.8 | -84.2 | 171.1 | 0 | 0 | 0 | 105.7 | | |
| 153 | D | 41.9 | Very low | 49.5 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | | 77.4 | 118.9 | 96 | -138.1 | -35.2 | 0 | 0 | 0 | 113.7 | | |
| 154 | C | 48.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | trans | 47.6 | 79.6 | 160.8 | -72.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 155 | S | 46.6 | Very low | 49.8 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -133.5 | 57.4 | 134.1 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | S157 | S155-S157 PolarHBondContact O-N 2.82Å; S155-S157 VanDerWaalsContact O-N 3.12Å |
| 156 | F | 47.8 | Very low | 50 | Low | 174 Ų | 174 | 150.1 Ų | 150.1 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -64.6 | 102.2 | 162.4 | -178.6 | -95.1 | 0 | 0 | 0 | 108 | P158 | F156-P158 VanDerWaalsContact CD1-CD 3.5Å; F156-P158 HydrophobicContact CD1-CG 4.17Å; F156-P158 HydrophobicContact CD2-CG 4.12Å; F156-P158 VanDerWaalsContact CE1-CD 3.46Å; F156-P158 HydrophobicContact CE1-CG 3.65Å; F156-P158 HydrophobicContact CE2-CG 3.6Å; F156-P158 HydrophobicContact CG-CG 4.39Å; F156-P158 HydrophobicContact CZ-CG 3.35Å |
| 157 | S | 38.8 | Very low | 49.6 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -134.9 | 84.8 | 155.7 | -99.2 | 0 | 0 | 0 | 0 | 109.6 | S155 C159 | S155-S157 PolarHBondContact O-N 2.82Å; S155-S157 VanDerWaalsContact O-N 3.12Å; S157-C159 PolarHBondContact O-N 3.47Å |
| 158 | P | 54.8 | Low | 49.2 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 54% | 0.539 | 77% | 0.769 | S | S | . | * | | | trans | -87.9 | 56.4 | 162.2 | 38 | -30.2 | 0 | 0 | 0 | 108.6 | F156 | F156-P158 VanDerWaalsContact CD1-CD 3.5Å; F156-P158 HydrophobicContact CD1-CG 4.17Å; F156-P158 HydrophobicContact CD2-CG 4.12Å; F156-P158 VanDerWaalsContact CE1-CD 3.46Å; F156-P158 HydrophobicContact CE1-CG 3.65Å; F156-P158 HydrophobicContact CE2-CG 3.6Å; F156-P158 HydrophobicContact CG-CG 4.39Å; F156-P158 HydrophobicContact CZ-CG 3.35Å |
| 159 | C | 52.4 | Low | 48.6 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 64% | 0.635 | 77% | 0.773 | S | S | * | * | | | trans | -140.8 | 75 | -177.3 | -68 | 0 | 0 | 0 | 0 | 109.4 | S157 | S157-C159 PolarHBondContact O-N 3.47Š|
| 160 | L | 43.5 | Very low | 48.3 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | -176 | 60.6 | 141.4 | -93 | 146.9 | 0 | 0 | 0 | 108.4 | G162 | L160-G162 PolarHBondContact O-N 3Š|
| 161 | W | 48.3 | Very low | 48 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | | | trans | 17.2 | 93.5 | 132.1 | -138.5 | -68.9 | 0 | 0 | 0 | 115.1 | W165 | W161-W165 AromaticContact CD1-CD1 3.93Å; W161-W165 AromaticContact CE2-NE1 3.46Å; W161-W165 AromaticContact CZ2-CE2 3.99Å; W161-W165 HydrophobicContact CZ2-CZ2 4.14Å; W161-W165 AromaticContact CZ2-NE1 3.51Å; W161-W165 AromaticContact NE1-CD1 3.04Å; W161-W165 AromaticContact NE1-NE1 2.87Å |
| 162 | G | 37.9 | Very low | 47.7 | Very low | 46 Ų | 46 | 142.4 Ų | 142.4 | 47% | 0.474 | 79% | 0.788 | S | S | . | * | | | trans | -63.2 | 153.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L160 T164 | L160-G162 PolarHBondContact O-N 3Å; G162-T164 PolarHBondContact O-N 3.47Å |
| 163 | P | 49.4 | Very low | 47.6 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -80.2 | 84 | -169.8 | 33.9 | -33.4 | 0 | 0 | 0 | 110.2 | | |
| 164 | T | 56.3 | Low | 47.9 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -127.9 | 65 | 164.4 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | G162 | G162-T164 PolarHBondContact O-N 3.47Š|
| 165 | W | 57.4 | Low | 47.9 | Very low | 192 Ų | 192 | 144 Ų | 144 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -135.6 | 61.9 | 160.3 | -70.7 | 82 | 0 | 0 | 0 | 109.6 | W161 | W161-W165 AromaticContact CD1-CD1 3.93Å; W161-W165 AromaticContact CE2-NE1 3.46Å; W161-W165 AromaticContact CZ2-CE2 3.99Å; W161-W165 HydrophobicContact CZ2-CZ2 4.14Å; W161-W165 AromaticContact CZ2-NE1 3.51Å; W161-W165 AromaticContact NE1-CD1 3.04Å; W161-W165 AromaticContact NE1-NE1 2.87Å |
| 166 | H | 51.4 | Low | 48 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | -127.9 | 88.1 | 149.2 | -89.6 | -72.9 | 0 | 0 | 0 | 106.7 | | |
| 167 | N | 48.7 | Very low | 48 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | 174 | 87.9 | 138.7 | -98.8 | -70.9 | 0 | 0 | 0 | 108.9 | | |
| 168 | L | 48.6 | Very low | 48.7 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -153.4 | 135.3 | 145.3 | -146.6 | 70.9 | 0 | 0 | 0 | 109.7 | | |
| 169 | A | 42.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 151 Ų | 151 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | 83.9 | 87.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 170 | L | 42.2 | Very low | 47.9 | Very low | 252 Ų | 252 | 156.2 Ų | 156.2 | 100% | 1.319 | 83% | 0.829 | S | S | * | * | | | | 156 | 0 | 113.9 | -85.3 | 157.9 | 0 | 0 | 0 | 111.5 | | |