| 1 | M | 40.8 | Very low | 46.5 | Very low | 238 Ų | 238 | 171 Ų | 171 | 100% | 1.172 | 83% | 0.827 | S | S | * | * | | | | 0 | 154 | 0 | -71.2 | 68.2 | 176.1 | 0 | 0 | 108.3 | | |
| 2 | N | 38.3 | Very low | 45.8 | Very low | 164 Ų | 164 | 168.1 Ų | 168.1 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | | | trans | -82.7 | 157.3 | -165.3 | -62.8 | -29.7 | 0 | 0 | 0 | 113.8 | | |
| 3 | N | 43.3 | Very low | 45.4 | Very low | 159 Ų | 159 | 166 Ų | 166 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | trans | -67 | 141.8 | 165.5 | -69.1 | -64.4 | 0 | 0 | 0 | 111 | | |
| 4 | I | 51.4 | Low | 44.9 | Very low | 150 Ų | 150 | 166.3 Ų | 166.3 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | | | trans | -156.7 | 118.3 | 147.8 | -91.7 | 136.7 | 0 | 0 | 0 | 105.6 | | |
| 5 | M | 48.5 | Very low | 44 | Very low | 193 Ų | 193 | 161.2 Ų | 161.2 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -117.9 | 120.2 | 153.6 | -90.9 | -163.9 | -65.1 | 0 | 0 | 105.9 | | |
| 6 | E | 59.4 | Low | 43.2 | Very low | 180 Ų | 180 | 157.8 Ų | 157.8 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | | | trans | -77.7 | 138.3 | -166.9 | -155.2 | 169.5 | 115.9 | 0 | 0 | 110.9 | | |
| 7 | E | 51.7 | Low | 42.7 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | | | trans | -66.9 | 145.4 | 173.3 | -67.8 | 176.7 | 113.1 | 0 | 0 | 110.6 | | |
| 8 | Q | 42.6 | Very low | 42.7 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 65% | 0.654 | 82% | 0.817 | S | S | * | * | | | trans | -126 | 73.6 | 165.8 | -175.2 | 149.8 | 108.2 | 0 | 0 | 109.9 | R10 | Q8-R10 VanDerWaalsContact CD-CZ 3.44Å; Q8-R10 HydrophobicContact CG-CG 4.12Å |
| 9 | E | 45.4 | Very low | 41.9 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | | | trans | -66.6 | 128.7 | 159.4 | -158.9 | 175.3 | 170.6 | 0 | 0 | 108.5 | | |
| 10 | R | 49 | Very low | 41.6 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | | | trans | -131.9 | 85.6 | 167.7 | -74.2 | -151.6 | -172.2 | 102.3 | 4.6 | 109.6 | Q8 | Q8-R10 VanDerWaalsContact CD-CZ 3.44Å; Q8-R10 HydrophobicContact CG-CG 4.12Å |
| 11 | D | 41 | Very low | 41.2 | Very low | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 82% | 0.815 | S | S | * | * | | | trans | -66.2 | 133.4 | 162.2 | -169.6 | 2.5 | 0 | 0 | 0 | 109.6 | | |
| 12 | T | 38.6 | Very low | 40.9 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -160.8 | 93.9 | 157.4 | -3.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 13 | L | 40.5 | Very low | 40.7 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -30.8 | 149.9 | 158.6 | -57.5 | 168.9 | 0 | 0 | 0 | 117 | | |
| 14 | L | 38.2 | Very low | 40.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | 173.6 | 103.5 | 138.9 | -93.1 | 158.5 | 0 | 0 | 0 | 106.7 | | |
| 15 | A | 31.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | | 67.5 | 97.4 | 54.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 16 | A | 31.2 | Very low | 39 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | 177.8 | 138 | 137.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 17 | V | 34.8 | Very low | 38.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -105.5 | 160.6 | 165.4 | 160 | 0 | 0 | 0 | 0 | 105.7 | | |
| 18 | P | 42.8 | Very low | 37.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | cis | -125.7 | -148.8 | 24.1 | 33.7 | -8.1 | 0 | 0 | 0 | 112.2 | | |
| 19 | E | 27.9 | Very low | 37.3 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | -154.9 | 176.4 | 4.1 | -151.6 | 163.7 | 138.4 | 0 | 0 | 113.5 | | |
| 20 | S | 35 | Very low | 36.8 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -67.7 | 146.9 | 173 | -50.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 21 | Q | 33.7 | Very low | 36.2 | Very low | 192 Ų | 192 | 126 Ų | 126 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -142.1 | 134.2 | 137 | -72.6 | -157.4 | 3.3 | 0 | 0 | 112.1 | | |
| 22 | V | 34.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -82.4 | 149.9 | 171.3 | 168.8 | 0 | 0 | 0 | 0 | 109 | | |
| 23 | L | 33.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | 177.7 | 115.4 | 140.4 | -95 | 157.2 | 0 | 0 | 0 | 112 | | |
| 24 | T | 36.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -89 | 161.7 | 146.5 | 55.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 25 | P | 41.1 | Very low | 36.8 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | cis | -124.5 | -175.8 | 31.2 | 38.9 | -20.5 | 0 | 0 | 0 | 112.1 | | |
| 26 | G | 30.3 | Very low | 37.3 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | | | cis | 172 | 158.3 | 11.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 27 | P | 48.8 | Very low | 37.6 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -84.5 | 136.9 | -173.2 | 32.8 | -33 | 0 | 0 | 0 | 112.2 | | |
| 28 | G | 34.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | -131.6 | 118.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 29 | N | 33.5 | Very low | 38.5 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | -22.1 | 143.3 | 171.4 | -52.1 | 1.7 | 0 | 0 | 0 | 116.3 | | |
| 30 | G | 35.4 | Very low | 39.3 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | cis | 95.6 | 82.8 | 13.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 31 | S | 36.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -162.3 | 96 | 157.3 | 54.1 | 0 | 0 | 0 | 0 | 113 | | |
| 32 | S | 38.7 | Very low | 41.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -129.3 | 94.6 | 146.4 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 33 | S | 40.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | -88.8 | 117.7 | -174.3 | 53.9 | 0 | 0 | 0 | 0 | 111 | | |
| 34 | R | 45.7 | Very low | 43.1 | Very low | 247 Ų | 247 | 131.2 Ų | 131.2 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -156.9 | 114.6 | 144.5 | -116.4 | 174 | -173.4 | -149.1 | 0.3 | 111.5 | | |
| 35 | P | 46.9 | Very low | 44 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -94.1 | 140.8 | 176.9 | 35.3 | -31.3 | 0 | 0 | 0 | 111.3 | | |
| 36 | R | 41.5 | Very low | 45 | Very low | 249 Ų | 249 | 133.2 Ų | 133.2 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | 173.7 | 106.6 | 138.8 | -103.7 | 174.9 | 168 | -94 | -1.1 | 111.2 | | |
| 37 | A | 37.4 | Very low | 46.5 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | | -165 | 124.3 | 110.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | D39 | A37-D39 PolarHBondContact O-N 2.97Š|
| 38 | T | 54.1 | Low | 47.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -74.3 | 113.1 | 159.8 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 39 | D | 42.5 | Very low | 48.6 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -124.3 | 150.7 | 163.7 | -169.1 | 24.4 | 0 | 0 | 0 | 109.7 | A37 G41 | A37-D39 PolarHBondContact O-N 2.97Å; D39-G41 PolarHBondContact O-N 3.44Å |
| 40 | G | 44.9 | Very low | 50.2 | Low | 58 Ų | 58 | 138.9 Ų | 138.9 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | | | trans | -58.8 | 128.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I42 | G40-I42 VanDerWaalsContact C-N 3.29Å; G40-I42 PolarHBondContact O-N 3.2Å |
| 41 | G | 53 | Low | 51.5 | Low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | -67 | 87 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D39 | D39-G41 PolarHBondContact O-N 3.44Š|
| 42 | I | 54.3 | Low | 53.1 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | -110.3 | 87 | 156.3 | -53.7 | -65.7 | 0 | 0 | 0 | 107 | G40 P44 | G40-I42 VanDerWaalsContact C-N 3.29Å; G40-I42 PolarHBondContact O-N 3.2Å; I42-P44 WeakPolarHBondContact O-CD 3.4Å |
| 43 | R | 56.6 | Low | 54.7 | Low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | trans | -77.6 | 118.7 | 152.8 | -70.6 | -80.5 | -72.9 | -138.8 | -4.6 | 105.1 | L45 | R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.19Å |
| 44 | P | 51.5 | Low | 56.1 | Low | 102 Ų | 102 | 141.6 Ų | 141.6 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | trans | -57.4 | 106 | 158.3 | -19.2 | 32.7 | 0 | 0 | 0 | 106.2 | I42 E46 | I42-P44 WeakPolarHBondContact O-CD 3.4Å; P44-E46 HydrophobicContact CB-CG 4.3Å; P44-E46 PolarHBondContact O-N 2.9Å |
| 45 | L | 57.2 | Low | 57.4 | Low | 166 Ų | 166 | 137.9 Ų | 137.9 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | | | trans | -74 | 73.5 | 164.7 | -175.2 | 67.4 | 0 | 0 | 0 | 105.5 | R43 K47 | R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.19Å; L45-K47 PolarHBondContact O-N 3.42Å; L45-K47 VanDerWaalsContact O-N 3.11Å |
| 46 | E | 60.5 | Low | 58.7 | Low | 133 Ų | 133 | 135.7 Ų | 135.7 | 62% | 0.621 | 73% | 0.732 | S | S | * | * | | | trans | -49.3 | 124 | 171.4 | -65.6 | -166.6 | 123.8 | 0 | 0 | 106.7 | P44 R48 | P44-E46 HydrophobicContact CB-CG 4.3Å; P44-E46 PolarHBondContact O-N 2.9Å; E46-R48 HydrophobicContact CB-CG 4.28Å; E46-R48 PolarHBondContact O-N 3.23Å |
| 47 | K | 62.9 | Low | 60.6 | Low | 212 Ų | 212 | 127 Ų | 127 | 92% | 0.922 | 71% | 0.708 | S | S | * | * | | | trans | -65.9 | 78.3 | 178 | -77.2 | -179.9 | 175.2 | 176.6 | 0 | 108.6 | L45 G49 | L45-K47 PolarHBondContact O-N 3.42Å; L45-K47 VanDerWaalsContact O-N 3.11Å; K47-G49 PolarHBondContact O-N 3.04Å |
| 48 | R | 63.6 | Low | 62.6 | Low | 151 Ų | 151 | 126 Ų | 126 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | | | trans | -73.1 | 98 | -179.2 | -84.5 | -167.6 | 156.7 | -145.7 | -3.7 | 107.3 | E46 I52 | E46-R48 HydrophobicContact CB-CG 4.28Å; E46-R48 PolarHBondContact O-N 3.23Å; R48-I52 HydrophobicContact CB-CB 4.14Å; R48-I52 HydrophobicContact CB-CD1 3.89Å; R48-I52 HydrophobicContact CB-CG1 3.87Å; R48-I52 HydrophobicContact CB-CG2 3.51Å; R48-I52 HydrophobicContact CG-CB 4.42Å; R48-I52 HydrophobicContact CG-CG2 3.65Å |
| 49 | G | 63.4 | Low | 64.1 | Low | 42 Ų | 42 | 124.5 Ų | 124.5 | 43% | 0.433 | 69% | 0.685 | S | S | . | * | | | trans | -58.7 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K47 Y51 | K47-G49 PolarHBondContact O-N 3.04Å; G49-Y51 PolarHBondContact O-N 3.07Å |
| 50 | P | 66.8 | Low | 66.2 | Low | 148 Ų | 148 | 121.1 Ų | 121.1 | 96% | 0.961 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -56.4 | -12.7 | -165.8 | -28.4 | 36 | 0 | 0 | 0 | 117 | | |
| 51 | Y | 62.1 | Low | 68.3 | Low | 190 Ų | 190 | 123.7 Ų | 123.7 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | | | trans | -109.8 | 69.2 | -179.4 | -165.4 | -102.8 | 0 | 0 | 0 | 112.7 | G49 M53 | G49-Y51 PolarHBondContact O-N 3.07Å; Y51-M53 HydrophobicContact CE1-SD 4.39Å; Y51-M53 HydrophobicContact CE2-SD 4.47Å; Y51-M53 PolarHBondContact OH-SD 3.3Å |
| 52 | I | 70.6 | Confident | 70.3 | Confident | 85 Ų | 85 | 127 Ų | 127 | 44% | 0.436 | 65% | 0.654 | S | S | . | * | | | trans | -121.2 | 85.6 | 170.3 | 56.2 | 128.4 | 0 | 0 | 0 | 111.8 | R48 S54 | R48-I52 HydrophobicContact CB-CB 4.14Å; R48-I52 HydrophobicContact CB-CD1 3.89Å; R48-I52 HydrophobicContact CB-CG1 3.87Å; R48-I52 HydrophobicContact CB-CG2 3.51Å; R48-I52 HydrophobicContact CG-CB 4.42Å; R48-I52 HydrophobicContact CG-CG2 3.65Å; I52-S54 PolarHBondContact O-N 3.32Å |
| 53 | M | 72.4 | Confident | 72.2 | Confident | 95 Ų | 95 | 124.2 Ų | 124.2 | 47% | 0.468 | 64% | 0.64 | S | S | . | * | | | trans | -55 | 112.4 | 171 | -68 | 175.3 | 57.1 | 0 | 0 | 110 | Y51 K55 P57 | Y51-M53 HydrophobicContact CE1-SD 4.39Å; Y51-M53 HydrophobicContact CE2-SD 4.47Å; Y51-M53 PolarHBondContact OH-SD 3.3Å; M53-K55 PolarHBondContact O-N 3.4Å; M53-K55 VanDerWaalsContact O-N 3.17Å; M53-P57 HydrophobicContact CE-CB 4.45Å; M53-P57 HydrophobicContact CE-CG 3.92Å; M53-P57 HydrophobicContact SD-CG 4.46Å |
| 54 | S | 69.3 | Low | 73.8 | Confident | 119 Ų | 119 | 116.8 Ų | 116.8 | 83% | 0.832 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -69.3 | -6.7 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | I52 | I52-S54 PolarHBondContact O-N 3.32Š|
| 55 | K | 74.4 | Confident | 75.9 | Confident | 168 Ų | 168 | 118.4 Ų | 118.4 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -122.9 | 133.2 | 176.2 | -62 | -179.5 | -178.4 | 178.1 | 0 | 109 | M53 | M53-K55 PolarHBondContact O-N 3.4Å; M53-K55 VanDerWaalsContact O-N 3.17Å |
| 56 | A | 74.4 | Confident | 77.7 | Confident | 73 Ų | 73 | 116.5 Ų | 116.5 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | | | trans | -59.2 | 132.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H60 | A56-H60 HydrophobicContact CB-CB 4.33Š|
| 57 | P | 80.3 | Confident | 79.3 | Confident | 66 Ų | 66 | 117.7 Ų | 117.7 | 43% | 0.429 | 60% | 0.597 | S | S | . | * | | | trans | -56.1 | 145.6 | 177.4 | -25.4 | 33.2 | 0 | 0 | 0 | 111.8 | M53 I59 H60 | M53-P57 HydrophobicContact CE-CB 4.45Å; M53-P57 HydrophobicContact CE-CG 3.92Å; M53-P57 HydrophobicContact SD-CG 4.46Å; P57-I59 PolarHBondContact O-N 3.16Å; P57-H60 VanDerWaalsContact O-CB 3.26Å; P57-H60 WeakPolarHBondContact O-CB 3.43Å; P57-H60 PolarHBondContact O-N 2.92Å |
| 58 | A | 79.4 | Confident | 80.8 | Confident | 76 Ų | 76 | 112.4 Ų | 112.4 | 63% | 0.628 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.6 | -23.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H60 M61 K62 | A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 3.32Å; A58-M61 PolarHBondContact O-N 2.94Å; A58-K62 PolarHBondContact O-N 2.94Å |
| 59 | I | 85.4 | Confident | 82.1 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 61% | 0.605 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.8 | -42.4 | 170.7 | -60.5 | 171.8 | 0 | 0 | 0 | 111.3 | P57 M61 K62 L63 | P57-I59 PolarHBondContact O-N 3.16Å; I59-M61 PolarHBondContact O-N 3.44Å; I59-K62 PolarHBondContact O-N 2.91Å; I59-L63 HydrophobicContact CG2-CD1 3.85Å; I59-L63 HydrophobicContact CG2-CG 4.18Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 WeakPolarHBondContact O-CG 3.3Å; I59-L63 PolarHBondContact O-N 3.04Å |
| 60 | H | 87.6 | Confident | 83.4 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 41% | 0.407 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -56.8 | -41.4 | 177.9 | -174.4 | -85.5 | 0 | 0 | 0 | 111.4 | A56 P57 A58 L63 Q64 | A56-H60 HydrophobicContact CB-CB 4.33Å; P57-H60 VanDerWaalsContact O-CB 3.26Å; P57-H60 WeakPolarHBondContact O-CB 3.43Å; P57-H60 PolarHBondContact O-N 2.92Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 3.32Å; H60-L63 PolarHBondContact O-N 3.38Å; H60-Q64 VanDerWaalsContact O-CB 3.31Å; H60-Q64 WeakPolarHBondContact O-CB 3.45Å; H60-Q64 PolarHBondContact O-N 3.34Å |
| 61 | M | 89.4 | Confident | 84.3 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.7 | -35.4 | -178.2 | -156.6 | 49.9 | 49.6 | 0 | 0 | 112.6 | A58 I59 K65 | A58-M61 PolarHBondContact O-N 2.94Å; I59-M61 PolarHBondContact O-N 3.44Å; M61-K65 WeakPolarHBondContact O-CB 3.32Å; M61-K65 PolarHBondContact O-N 3.19Å |
| 62 | K | 93.9 | Very high | 85.3 | Confident | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.2 | -46.2 | 170.1 | -66.2 | -177.4 | -178.5 | -177.8 | 0 | 111.4 | A58 I59 K65 H66 | A58-K62 PolarHBondContact O-N 2.94Å; I59-K62 PolarHBondContact O-N 2.91Å; K62-K65 PolarHBondContact O-N 3.28Å; K62-H66 PolarHBondContact O-N 3.31Å; K62-H66 VanDerWaalsContact O-N 3.07Å |
| 63 | L | 94 | Very high | 85.8 | Confident | 90 Ų | 90 | 111.4 Ų | 111.4 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -42.7 | 177.5 | -71.3 | 175.1 | 0 | 0 | 0 | 112.2 | I59 H60 H66 R67 | I59-L63 HydrophobicContact CG2-CD1 3.85Å; I59-L63 HydrophobicContact CG2-CG 4.18Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 WeakPolarHBondContact O-CG 3.3Å; I59-L63 PolarHBondContact O-N 3.04Å; H60-L63 PolarHBondContact O-N 3.38Å; L63-H66 PolarHBondContact O-N 3.35Å; L63-R67 WeakPolarHBondContact O-CG 3.49Å; L63-R67 PolarHBondContact O-N 3.41Å |
| 64 | Q | 91.7 | Very high | 85.7 | Confident | 71 Ų | 71 | 111.4 Ų | 111.4 | 33% | 0.332 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.8 | -47.9 | 175.8 | 179.9 | 172.1 | -13.2 | 0 | 0 | 111.3 | H60 H66 R67 E68 | H60-Q64 VanDerWaalsContact O-CB 3.31Å; H60-Q64 WeakPolarHBondContact O-CB 3.45Å; H60-Q64 PolarHBondContact O-N 3.34Å; Q64-H66 VanDerWaalsContact C-N 3.29Å; Q64-H66 PolarHBondContact O-N 3.44Å; Q64-R67 WeakPolarHBondContact O-CB 3.31Å; Q64-R67 PolarHBondContact O-N 3Å; Q64-R67 VanDerWaalsContact O-N 3.16Å; Q64-E68 VanDerWaalsContact CG-OE1 3.22Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.26Å; Q64-E68 PolarHBondContact NE2-OE1 3.21Å; Q64-E68 WeakPolarHBondContact O-CG 3.22Å; Q64-E68 PolarHBondContact O-N 2.95Å |
| 65 | K | 94.6 | Very high | 85.6 | Confident | 136 Ų | 136 | 112.9 Ų | 112.9 | 59% | 0.591 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.4 | -41.4 | 175.3 | -174.4 | -178.2 | 179.3 | -178.3 | 0 | 112.3 | M61 K62 M69 | M61-K65 WeakPolarHBondContact O-CB 3.32Å; M61-K65 PolarHBondContact O-N 3.19Å; K62-K65 PolarHBondContact O-N 3.28Å; K65-M69 WeakPolarHBondContact O-CB 3.35Å; K65-M69 PolarHBondContact O-N 3.5Å |
| 66 | H | 94.8 | Very high | 85 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.7 | -42.8 | 176.6 | -75.4 | -163.1 | 0 | 0 | 0 | 112.3 | K62 L63 Q64 E68 M69 A70 | K62-H66 PolarHBondContact O-N 3.31Å; K62-H66 VanDerWaalsContact O-N 3.07Å; L63-H66 PolarHBondContact O-N 3.35Å; Q64-H66 VanDerWaalsContact C-N 3.29Å; Q64-H66 PolarHBondContact O-N 3.44Å; H66-E68 VanDerWaalsContact C-N 3.33Å; H66-E68 PolarHBondContact O-N 2.97Å; H66-M69 PolarHBondContact O-N 3.29Å; H66-A70 WeakPolarHBondContact O-CB 3.46Å; H66-A70 PolarHBondContact O-N 2.93Å |
| 67 | R | 94.6 | Very high | 84.3 | Confident | 158 Ų | 158 | 119.2 Ų | 119.2 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.9 | -43.4 | 174.7 | -73 | 168.8 | 172.3 | 178.1 | -3.5 | 111.8 | L63 Q64 R71 | L63-R67 WeakPolarHBondContact O-CG 3.49Å; L63-R67 PolarHBondContact O-N 3.41Å; Q64-R67 WeakPolarHBondContact O-CB 3.31Å; Q64-R67 PolarHBondContact O-N 3Å; Q64-R67 VanDerWaalsContact O-N 3.16Å; R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.28Å |
| 68 | E | 93.3 | Very high | 83.2 | Confident | 100 Ų | 100 | 118.7 Ų | 118.7 | 47% | 0.467 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.6 | -41.2 | 177.3 | -71.6 | 171.8 | -164 | 0 | 0 | 112.3 | Q64 H66 R71 K72 | Q64-E68 VanDerWaalsContact CG-OE1 3.22Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.26Å; Q64-E68 PolarHBondContact NE2-OE1 3.21Å; Q64-E68 WeakPolarHBondContact O-CG 3.22Å; Q64-E68 PolarHBondContact O-N 2.95Å; H66-E68 VanDerWaalsContact C-N 3.33Å; H66-E68 PolarHBondContact O-N 2.97Å; E68-R71 PolarHBondContact O-N 2.85Å; E68-K72 WeakPolarHBondContact O-CB 3.31Å; E68-K72 PolarHBondContact O-N 3.48Å |
| 69 | M | 91.8 | Very high | 82.3 | Confident | 116 Ų | 116 | 119.4 Ų | 119.4 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -44.9 | 175 | -172.3 | -176.2 | -63.6 | 0 | 0 | 111.8 | K65 H66 K72 A73 | K65-M69 WeakPolarHBondContact O-CB 3.35Å; K65-M69 PolarHBondContact O-N 3.5Å; H66-M69 PolarHBondContact O-N 3.29Å; M69-K72 PolarHBondContact O-N 2.88Å; M69-A73 WeakPolarHBondContact O-CB 3.49Å; M69-A73 PolarHBondContact O-N 3.08Å |
| 70 | A | 89.7 | Confident | 80.9 | Confident | 56 Ų | 56 | 117.6 Ų | 117.6 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.2 | -48.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H66 K72 A73 M74 | H66-A70 WeakPolarHBondContact O-CB 3.46Å; H66-A70 PolarHBondContact O-N 2.93Å; A70-K72 VanDerWaalsContact C-N 3.3Å; A70-K72 PolarHBondContact O-N 2.9Å; A70-A73 PolarHBondContact O-N 3.17Å; A70-M74 VanDerWaalsContact O-CG 3.3Å; A70-M74 WeakPolarHBondContact O-CG 3.48Å; A70-M74 PolarHBondContact O-N 2.83Å |
| 71 | R | 85.9 | Confident | 78.9 | Confident | 193 Ų | 193 | 118.4 Ų | 118.4 | 73% | 0.728 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.3 | -42.3 | 174.3 | -75.2 | 172.2 | 175.1 | 177.3 | -2.8 | 112.1 | R67 E68 M74 K75 | R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.28Å; E68-R71 PolarHBondContact O-N 2.85Å; R71-M74 PolarHBondContact O-N 3.03Å; R71-K75 WeakPolarHBondContact O-CB 3.33Å; R71-K75 PolarHBondContact O-N 2.83Å |
| 72 | K | 84.3 | Confident | 77.2 | Confident | 168 Ų | 168 | 116.8 Ų | 116.8 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 177.7 | -169.9 | 175.8 | -178 | 178.1 | 0 | 112.4 | E68 M69 A70 K76 | E68-K72 WeakPolarHBondContact O-CB 3.31Å; E68-K72 PolarHBondContact O-N 3.48Å; M69-K72 PolarHBondContact O-N 2.88Å; A70-K72 VanDerWaalsContact C-N 3.3Å; A70-K72 PolarHBondContact O-N 2.9Å; K72-K76 PolarHBondContact O-N 2.88Å |
| 73 | A | 80.9 | Confident | 75.4 | Confident | 62 Ų | 62 | 112.4 Ų | 112.4 | 51% | 0.512 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.7 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M69 A70 K76 | M69-A73 WeakPolarHBondContact O-CB 3.49Å; M69-A73 PolarHBondContact O-N 3.08Å; A70-A73 PolarHBondContact O-N 3.17Å; A73-K76 PolarHBondContact O-N 2.83Å |
| 74 | M | 68.9 | Low | 73.1 | Confident | 96 Ų | 96 | 113.9 Ų | 113.9 | 47% | 0.473 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.1 | -36 | 178.5 | -63.5 | -62.4 | -84.3 | 0 | 0 | 112.4 | A70 R71 K76 K77 L79 | A70-M74 VanDerWaalsContact O-CG 3.3Å; A70-M74 WeakPolarHBondContact O-CG 3.48Å; A70-M74 PolarHBondContact O-N 2.83Å; R71-M74 PolarHBondContact O-N 3.03Å; M74-K76 VanDerWaalsContact C-N 3.28Å; M74-K76 PolarHBondContact O-N 2.77Å; M74-K77 PolarHBondContact O-N 3.43Å; M74-L79 HydrophobicContact CE-CD2 3.81Å; M74-L79 PolarHBondContact O-N 3.01Å |
| 75 | K | 68.3 | Low | 71 | Confident | 149 Ų | 149 | 115.6 Ų | 115.6 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.3 | -34.9 | 174.8 | -177.3 | 164.8 | -176.2 | 175.9 | 0 | 112.9 | R71 K77 G78 T80 | R71-K75 WeakPolarHBondContact O-CB 3.33Å; R71-K75 PolarHBondContact O-N 2.83Å; K75-K77 PolarHBondContact O-N 3.43Å; K75-G78 PolarHBondContact O-N 3.43Å; K75-T80 HydrophobicContact CB-CG2 4.19Å; K75-T80 HydrophobicContact CD-CG2 4.1Å; K75-T80 HydrophobicContact CG-CG2 3.75Å |
| 76 | K | 62.3 | Low | 68.9 | Low | 198 Ų | 198 | 116.9 Ų | 116.9 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -16.6 | 176 | -167.5 | 176.1 | 177 | -175.8 | 0 | 113.3 | K72 A73 M74 | K72-K76 PolarHBondContact O-N 2.88Å; A73-K76 PolarHBondContact O-N 2.83Å; M74-K76 VanDerWaalsContact C-N 3.28Å; M74-K76 PolarHBondContact O-N 2.77Å |
| 77 | K | 58.5 | Low | 66.8 | Low | 176 Ų | 176 | 116.6 Ų | 116.6 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 8.2 | 174.5 | -78.6 | -175.2 | 169.3 | -174.6 | 0 | 114 | M74 K75 L79 | M74-K77 PolarHBondContact O-N 3.43Å; K75-K77 PolarHBondContact O-N 3.43Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 HydrophobicContact CB-CD1 4.34Å; K77-L79 WeakPolarHBondContact O-CD1 2.89Å; K77-L79 PolarHBondContact O-N 2.92Å |
| 78 | G | 58.3 | Low | 64.6 | Low | 55 Ų | 55 | 115.8 Ų | 115.8 | 57% | 0.567 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.8 | 6.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K75 T80 | K75-G78 PolarHBondContact O-N 3.43Å; G78-T80 VanDerWaalsContact C-N 3.25Å; G78-T80 PolarHBondContact O-N 2.97Å; G78-T80 VanDerWaalsContact O-N 3.08Å |
| 79 | L | 60.5 | Low | 62.7 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | | | trans | -86.7 | 64.7 | 175.3 | -79.1 | 75.9 | 0 | 0 | 0 | 110.9 | M74 K77 | M74-L79 HydrophobicContact CE-CD2 3.81Å; M74-L79 PolarHBondContact O-N 3.01Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 HydrophobicContact CB-CD1 4.34Å; K77-L79 WeakPolarHBondContact O-CD1 2.89Å; K77-L79 PolarHBondContact O-N 2.92Å |
| 80 | T | 55.3 | Low | 60.8 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 49% | 0.491 | 66% | 0.659 | S | S | . | * | | | trans | -106.9 | 133.4 | 157 | 60.8 | 0 | 0 | 0 | 0 | 106.3 | K75 G78 | K75-T80 HydrophobicContact CB-CG2 4.19Å; K75-T80 HydrophobicContact CD-CG2 4.1Å; K75-T80 HydrophobicContact CG-CG2 3.75Å; G78-T80 VanDerWaalsContact C-N 3.25Å; G78-T80 PolarHBondContact O-N 2.97Å; G78-T80 VanDerWaalsContact O-N 3.08Å |
| 81 | S | 46.5 | Very low | 59.3 | Low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | | | | -155.6 | -179.1 | 51.7 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 82 | G | 53.4 | Low | 57.9 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 67% | 0.669 | S | S | * | * | | | trans | -64.9 | 157.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 83 | G | 55.4 | Low | 56.5 | Low | 55 Ų | 55 | 115 Ų | 115 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 120.6 | 155.8 | -166 | 0 | 0 | 0 | 0 | 0 | 109.9 | V85 | G83-V85 PolarHBondContact O-N 2.91Š|
| 84 | P | 46.4 | Very low | 55.5 | Low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | | | trans | -58.3 | 124 | 170.6 | 25.9 | -32.7 | 0 | 0 | 0 | 108.1 | M86 | P84-M86 PolarHBondContact O-N 3.06Š|
| 85 | V | 46.4 | Very low | 55.1 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 65% | 0.648 | 70% | 0.702 | S | S | * | * | | | trans | -76 | 82.5 | -172.1 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | G83 Q87 | G83-V85 PolarHBondContact O-N 2.91Å; V85-Q87 HydrophobicContact CG1-CB 3.72Å; V85-Q87 HydrophobicContact CG1-CG 4.01Å; V85-Q87 PolarHBondContact O-N 2.85Å |
| 86 | M | 51.5 | Low | 54.9 | Low | 164 Ų | 164 | 126.3 Ų | 126.3 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | | | trans | -70.1 | 56.5 | 159.3 | -72.7 | -65.4 | 151.9 | 0 | 0 | 109.9 | P84 | P84-M86 PolarHBondContact O-N 3.06Š|
| 87 | Q | 50.3 | Low | 55.4 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | | | trans | -113.2 | 75 | 161.8 | -64.4 | -166.4 | 5.8 | 0 | 0 | 107.7 | V85 | V85-Q87 HydrophobicContact CG1-CB 3.72Å; V85-Q87 HydrophobicContact CG1-CG 4.01Å; V85-Q87 PolarHBondContact O-N 2.85Å |
| 88 | Q | 47.8 | Very low | 56.4 | Low | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | | | trans | -39.1 | 130.2 | 146.5 | -171 | -159.6 | 56.2 | 0 | 0 | 107.5 | R90 | Q88-R90 PolarHBondContact O-N 3.2Š|
| 89 | P | 54.8 | Low | 57.4 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | | | trans | -55.3 | 113.2 | 178.1 | -23.9 | 33.1 | 0 | 0 | 0 | 108.5 | Q91 | P89-Q91 PolarHBondContact O-N 2.77Š|
| 90 | R | 51.7 | Low | 58.4 | Low | 226 Ų | 226 | 128.2 Ų | 128.2 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | | | trans | -46.8 | 112.2 | -172 | -78.6 | -179 | 173.3 | -102.5 | 0.8 | 109.7 | Q88 G92 | Q88-R90 PolarHBondContact O-N 3.2Å; R90-G92 PolarHBondContact O-N 2.78Å |
| 91 | Q | 58.2 | Low | 59.8 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | trans | -65.7 | 77.1 | 171.1 | -73.3 | -84.1 | 11.1 | 0 | 0 | 107.8 | P89 | P89-Q91 PolarHBondContact O-N 2.77Š|
| 92 | G | 56.3 | Low | 61.4 | Low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | -147.4 | 84.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R90 | R90-G92 PolarHBondContact O-N 2.78Š|
| 93 | G | 53.8 | Low | 62.5 | Low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 112.3 | 116.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R95 | G93-R95 VanDerWaalsContact C-N 3.33Å; G93-R95 PolarHBondContact O-N 3.01Å |
| 94 | K | 60.1 | Low | 63.6 | Low | 215 Ų | 215 | 139.9 Ų | 139.9 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | | | trans | -63.9 | 91.2 | 175.6 | -60.5 | -171 | -178.8 | -170.4 | 0 | 109.3 | S96 | K94-S96 VanDerWaalsContact C-N 3.25Å; K94-S96 PolarHBondContact O-N 3.41Å |
| 95 | R | 61.3 | Low | 64.9 | Low | 211 Ų | 211 | 138.5 Ų | 138.5 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | -67.5 | 91.3 | 166.1 | -66.3 | -163.9 | -57.2 | -93.8 | -0.7 | 107.1 | G93 V97 | G93-R95 VanDerWaalsContact C-N 3.33Å; G93-R95 PolarHBondContact O-N 3.01Å; R95-V97 VanDerWaalsContact C-N 3.26Å; R95-V97 PolarHBondContact O-N 2.66Å |
| 96 | S | 65 | Low | 66.2 | Low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -65.1 | 90.1 | 172.9 | -173 | 0 | 0 | 0 | 0 | 108.6 | K94 K98 | K94-S96 VanDerWaalsContact C-N 3.25Å; K94-S96 PolarHBondContact O-N 3.41Å; S96-K98 PolarHBondContact O-N 2.91Å |
| 97 | V | 70.9 | Confident | 67 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | trans | -76.7 | 115.7 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | R95 F99 | R95-V97 VanDerWaalsContact C-N 3.26Å; R95-V97 PolarHBondContact O-N 2.66Å; V97-F99 PolarHBondContact O-N 3.47Å |
| 98 | K | 80.2 | Confident | 67.9 | Low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -64.5 | 106.8 | 172.6 | 180 | -178.1 | 175.8 | -176 | 0 | 108.2 | S96 | S96-K98 PolarHBondContact O-N 2.91Š|
| 99 | F | 78.9 | Confident | 68.7 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 58% | 0.575 | 74% | 0.739 | S | S | * | * | | | trans | -72.4 | 151.2 | 173.9 | 55.6 | -101.5 | 0 | 0 | 0 | 111.2 | V97 Y103 | V97-F99 PolarHBondContact O-N 3.47Å; F99-Y103 VanDerWaalsContact CB-O 3.27Å; F99-Y103 WeakPolarHBondContact CB-O 3.27Å; F99-Y103 WeakPolarHBondContact CD2-O 3.15Å; F99-Y103 WeakPolarHBondContact CG-O 3.35Å |
| 100 | N | 82.6 | Confident | 69 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | | | trans | -74.3 | 145.6 | 172.3 | -73.4 | -6.7 | 0 | 0 | 0 | 109.8 | G102 Y103 | N100-G102 PolarHBondContact O-N 3.11Å; N100-Y103 PolarHBondContact O-N 2.85Å |
| 101 | K | 83.8 | Confident | 69.4 | Low | 220 Ų | 220 | 132 Ų | 132 | 96% | 0.957 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 114.3 | -177.2 | -166.9 | 174.2 | -177 | -179 | 0 | 110 | | |
| 102 | G | 81.6 | Confident | 69.5 | Low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.6 | -19.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | N100 | N100-G102 PolarHBondContact O-N 3.11Š|
| 103 | Y | 75.4 | Confident | 69.8 | Low | 181 Ų | 181 | 132 Ų | 132 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | | | trans | -107.2 | 126.3 | 174.1 | -71.4 | -90.9 | 0 | 0 | 0 | 110.1 | F99 N100 | F99-Y103 VanDerWaalsContact CB-O 3.27Å; F99-Y103 WeakPolarHBondContact CB-O 3.27Å; F99-Y103 WeakPolarHBondContact CD2-O 3.15Å; F99-Y103 WeakPolarHBondContact CG-O 3.35Å; N100-Y103 PolarHBondContact O-N 2.85Å |
| 104 | A | 79.4 | Confident | 70.5 | Confident | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | | | trans | -108.6 | 140.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L106 | A104-L106 PolarHBondContact O-N 2.86Š|
| 105 | A | 74 | Confident | 70.4 | Confident | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | | | trans | -72.8 | 125.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 106 | L | 72.4 | Confident | 70.7 | Confident | 160 Ų | 160 | 124.2 Ų | 124.2 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | | | trans | -64.3 | 148.6 | 171.6 | -65.5 | 172.6 | 0 | 0 | 0 | 110 | A104 Q108 | A104-L106 PolarHBondContact O-N 2.86Å; L106-Q108 PolarHBondContact O-N 2.84Å |
| 107 | S | 69.5 | Low | 70.5 | Confident | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | | | trans | -74.2 | 84.4 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | H109 | S107-H109 VanDerWaalsContact C-N 3.32Å; S107-H109 PolarHBondContact O-N 3.49Å |
| 108 | Q | 67.9 | Low | 70 | Confident | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | | | trans | -67.4 | 90.1 | 170.5 | -66.1 | -172.3 | -51.3 | 0 | 0 | 110.2 | L106 | L106-Q108 PolarHBondContact O-N 2.84Š|
| 109 | H | 65.6 | Low | 68.7 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 34% | 0.343 | 70% | 0.696 | S | S | . | * | | | trans | -95.3 | 144.7 | 172.1 | 62.2 | 25.8 | 0 | 0 | 0 | 110.7 | S107 E111 E112 | S107-H109 VanDerWaalsContact C-N 3.32Å; S107-H109 PolarHBondContact O-N 3.49Å; H109-E111 HydrophobicContact CB-CG 4.22Å; H109-E111 IonicContact CD2-OE1 3.81Å; H109-E111 IonicContact CG-OE1 3.66Å; H109-E111 PolarHBondContact O-N 3.1Å; H109-E112 IonicContact CE1-OE1 2.72Å; H109-E112 PolarHBondContact CE1-OE1 3.34Å; H109-E112 WeakPolarHBondContact ND1-CB 3.45Å; H109-E112 IonicContact ND1-OE1 2.7Å; H109-E112 IonicContact NE2-OE1 3.16Å; H109-E112 WeakPolarHBondContact O-CB 3.41Å; H109-E112 PolarHBondContact O-N 2.88Å; H109-E112 VanDerWaalsContact O-N 3.09Å |
| 110 | A | 60.2 | Low | 67.8 | Low | 81 Ų | 81 | 123.9 Ų | 123.9 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -23.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E112 T113 | A110-E112 PolarHBondContact O-N 2.92Å; A110-T113 PolarHBondContact O-OG1 2.91Å |
| 111 | E | 60.7 | Low | 66.5 | Low | 148 Ų | 148 | 122.1 Ų | 122.1 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -9.6 | 174.1 | 54.7 | -88.1 | -145.4 | 0 | 0 | 113.5 | H109 T113 | H109-E111 HydrophobicContact CB-CG 4.22Å; H109-E111 IonicContact CD2-OE1 3.81Å; H109-E111 IonicContact CG-OE1 3.66Å; H109-E111 PolarHBondContact O-N 3.1Å; E111-T113 PolarHBondContact O-N 3.25Å; E111-T113 VanDerWaalsContact O-N 3.11Å |
| 112 | E | 58.9 | Low | 65 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 54% | 0.537 | 70% | 0.699 | S | S | . | * | | | trans | -83 | 45.6 | 167.3 | -120.1 | 162.7 | -137.4 | 0 | 0 | 111.7 | H109 A110 L114 | H109-E112 IonicContact CE1-OE1 2.72Å; H109-E112 PolarHBondContact CE1-OE1 3.34Å; H109-E112 WeakPolarHBondContact ND1-CB 3.45Å; H109-E112 IonicContact ND1-OE1 2.7Å; H109-E112 IonicContact NE2-OE1 3.16Å; H109-E112 WeakPolarHBondContact O-CB 3.41Å; H109-E112 PolarHBondContact O-N 2.88Å; H109-E112 VanDerWaalsContact O-N 3.09Å; A110-E112 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.09Å |
| 113 | T | 64.2 | Low | 63.7 | Low | 103 Ų | 103 | 120.8 Ų | 120.8 | 63% | 0.632 | 69% | 0.69 | S | S | * | * | | | trans | -75.3 | 89 | 177.3 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | A110 E111 V115 | A110-T113 PolarHBondContact O-OG1 2.91Å; E111-T113 PolarHBondContact O-N 3.25Å; E111-T113 VanDerWaalsContact O-N 3.11Å; T113-V115 WeakPolarHBondContact CG2-O 3.36Å; T113-V115 PolarHBondContact O-N 3.11Å |
| 114 | L | 68.1 | Low | 62.8 | Low | 162 Ų | 162 | 121.3 Ų | 121.3 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -61.3 | -9.2 | -176.4 | -61.8 | 177.9 | 0 | 0 | 0 | 115 | E112 | E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.09Å |
| 115 | V | 57.5 | Low | 61.4 | Low | 93 Ų | 93 | 124 Ų | 124 | 56% | 0.564 | 70% | 0.701 | S | S | * | * | | | trans | -140.4 | 105.9 | 178.8 | -167.8 | 0 | 0 | 0 | 0 | 109 | T113 L117 | T113-V115 WeakPolarHBondContact CG2-O 3.36Å; T113-V115 PolarHBondContact O-N 3.11Å; V115-L117 HydrophobicContact CG1-CD2 3.55Å; V115-L117 HydrophobicContact CG1-CG 3.98Å |
| 116 | A | 68.4 | Low | 60 | Low | 73 Ų | 73 | 125.2 Ų | 125.2 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | | | trans | -72 | 125.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 117 | L | 60.8 | Low | 59.1 | Low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | | | trans | -110.7 | 17.2 | -175.1 | -69 | 174.5 | 0 | 0 | 0 | 112.4 | V115 | V115-L117 HydrophobicContact CG1-CD2 3.55Å; V115-L117 HydrophobicContact CG1-CG 3.98Å |
| 118 | D | 60.5 | Low | 58.4 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | | | trans | -106.1 | 13.5 | -176.1 | 62.9 | -34.8 | 0 | 0 | 0 | 114.3 | D120 | D118-D120 VanDerWaalsContact C-N 3.3Å; D118-D120 PolarHBondContact O-N 3.15Å |
| 119 | S | 53 | Low | 57.5 | Low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | | | trans | -71.9 | 83.8 | 163.5 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | S121 | S119-S121 PolarHBondContact O-N 3.34Š|
| 120 | D | 59.7 | Low | 56.6 | Low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | | | trans | -84 | 89.9 | 160.4 | -172.2 | 5.5 | 0 | 0 | 0 | 108.6 | D118 | D118-D120 VanDerWaalsContact C-N 3.3Å; D118-D120 PolarHBondContact O-N 3.15Å |
| 121 | S | 54.5 | Low | 56.1 | Low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | | | trans | -123.1 | 101.2 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | S119 D123 | S119-S121 PolarHBondContact O-N 3.34Å; S121-D123 PolarHBondContact O-N 3.01Å |
| 122 | D | 53.5 | Low | 55.5 | Low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | | | trans | -78.3 | 68.9 | 175.8 | -156.7 | -40.5 | 0 | 0 | 0 | 110 | | |
| 123 | D | 52.9 | Low | 55.2 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | | | trans | -98.4 | 118.1 | 167.8 | -87.4 | -72.3 | 0 | 0 | 0 | 108.7 | S121 L125 | S121-D123 PolarHBondContact O-N 3.01Å; D123-L125 VanDerWaalsContact C-N 3.35Å; D123-L125 HydrophobicContact CB-CD2 3.89Å; D123-L125 WeakPolarHBondContact O-CD2 3.49Å; D123-L125 WeakPolarHBondContact O-CG 3.39Å; D123-L125 PolarHBondContact O-N 2.97Å |
| 124 | E | 56.1 | Low | 54.5 | Low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | | | trans | -67.8 | 93.7 | 169.6 | -70.3 | -154.4 | 105.9 | 0 | 0 | 109.4 | D126 | E124-D126 PolarHBondContact O-N 3.43Š|
| 125 | L | 50.1 | Low | 53.6 | Low | 141 Ų | 141 | 131.1 Ų | 131.1 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | -69.9 | 110.6 | 177.4 | -41.7 | -176.6 | 0 | 0 | 0 | 109 | D123 V127 | D123-L125 VanDerWaalsContact C-N 3.35Å; D123-L125 HydrophobicContact CB-CD2 3.89Å; D123-L125 WeakPolarHBondContact O-CD2 3.49Å; D123-L125 WeakPolarHBondContact O-CG 3.39Å; D123-L125 PolarHBondContact O-N 2.97Å; L125-V127 WeakPolarHBondContact O-CG2 3.43Å; L125-V127 PolarHBondContact O-N 2.95Å |
| 126 | D | 45.4 | Very low | 53.5 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | | | trans | -60 | 103.7 | 176 | -166.3 | -74.6 | 0 | 0 | 0 | 110.6 | E124 E128 | E124-D126 PolarHBondContact O-N 3.43Å; D126-E128 PolarHBondContact O-N 2.82Å; D126-E128 WeakPolarHBondContact OD1-CB 3.29Å; D126-E128 PolarHBondContact OD1-N 2.81Å |
| 127 | V | 53.1 | Low | 52.9 | Low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -72.3 | -13.1 | -173.1 | -178.4 | 0 | 0 | 0 | 0 | 112 | L125 Q129 Y130 | L125-V127 WeakPolarHBondContact O-CG2 3.43Å; L125-V127 PolarHBondContact O-N 2.95Å; V127-Q129 VanDerWaalsContact C-N 3.35Å; V127-Q129 PolarHBondContact O-N 2.91Å; V127-Y130 PolarHBondContact O-N 3.01Å |
| 128 | E | 54.6 | Low | 52.8 | Low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -79.2 | -14.8 | -175.4 | -60.9 | -71.9 | 137.4 | 0 | 0 | 113 | D126 | D126-E128 PolarHBondContact O-N 2.82Å; D126-E128 WeakPolarHBondContact OD1-CB 3.29Å; D126-E128 PolarHBondContact OD1-N 2.81Å |
| 129 | Q | 50 | Low | 53 | Low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -87.5 | -6.2 | 175.5 | -152.8 | 100.9 | 111.5 | 0 | 0 | 114 | V127 S131 | V127-Q129 VanDerWaalsContact C-N 3.35Å; V127-Q129 PolarHBondContact O-N 2.91Å; Q129-S131 VanDerWaalsContact C-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.64Å |
| 130 | Y | 46.8 | Very low | 54 | Low | 202 Ų | 202 | 130.4 Ų | 130.4 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | | | trans | -93.9 | 34.1 | 175 | -84.3 | -82.5 | 0 | 0 | 0 | 113.9 | V127 S132 | V127-Y130 PolarHBondContact O-N 3.01Å; Y130-S132 PolarHBondContact O-N 3.07Å |
| 131 | S | 49.1 | Very low | 54.8 | Low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | | | trans | -72.5 | 48.4 | 158 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | Q129 G133 | Q129-S131 VanDerWaalsContact C-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.64Å; S131-G133 PolarHBondContact O-N 3.08Å |
| 132 | S | 48.5 | Very low | 56.3 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 57% | 0.573 | 69% | 0.691 | S | S | * | * | | | trans | -100.8 | 63.7 | 174.5 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | Y130 Y134 | Y130-S132 PolarHBondContact O-N 3.07Å; S132-Y134 PolarHBondContact O-N 3.02Å |
| 133 | G | 52 | Low | 57.8 | Low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | | | trans | -59.6 | 130 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S131 | S131-G133 PolarHBondContact O-N 3.08Š|
| 134 | Y | 50.8 | Low | 59.2 | Low | 217 Ų | 217 | 120.9 Ų | 120.9 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | | | trans | 70.6 | 62.4 | 178.4 | -48.9 | -77.3 | 0 | 0 | 0 | 116.9 | S132 S136 | S132-Y134 PolarHBondContact O-N 3.02Å; Y134-S136 PolarHBondContact O-N 2.74Å |
| 135 | S | 49.1 | Very low | 60.7 | Low | 100 Ų | 100 | 118.7 Ų | 118.7 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | | | trans | -74.6 | 79.3 | 149.9 | -168.8 | 0 | 0 | 0 | 0 | 110 | | |
| 136 | S | 54.1 | Low | 62.7 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | | | trans | -117.9 | 4 | 174.6 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | Y134 | Y134-S136 PolarHBondContact O-N 2.74Š|
| 137 | A | 56.8 | Low | 64.8 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 80% | 0.802 | 61% | 0.613 | S | S | * | * | | | trans | -95.2 | -7.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V139 | A137-V139 PolarHBondContact O-N 3.36Š|
| 138 | E | 58.8 | Low | 66.3 | Low | 181 Ų | 181 | 112.4 Ų | 112.4 | 85% | 0.846 | 61% | 0.606 | S | S | * | * | | | trans | -101.7 | 43.7 | -177.7 | -66.3 | -170.9 | -152 | 0 | 0 | 113.2 | H140 | E138-H140 PolarHBondContact O-N 2.86Š|
| 139 | V | 63.2 | Low | 68 | Low | 57 Ų | 57 | 112 Ų | 112 | 35% | 0.345 | 60% | 0.604 | S | S | . | * | | | trans | -71.8 | 117.6 | 164 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | A137 L143 L154 | A137-V139 PolarHBondContact O-N 3.36Å; V139-L143 HydrophobicContact CG1-CB 4.18Å; V139-L143 HydrophobicContact CG1-CD2 4.26Å; V139-L143 HydrophobicContact CG1-CG 4.37Å; V139-L154 HydrophobicContact CG2-CD1 4.44Å |
| 140 | H | 74.7 | Confident | 70 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | | | trans | -52 | 132 | 178.8 | -168.8 | -99.9 | 0 | 0 | 0 | 110.6 | E138 D142 L143 S144 | E138-H140 PolarHBondContact O-N 2.86Å; H140-D142 IonicContact CE1-OD2 3.16Å; H140-D142 PolarHBondContact CE1-OD2 3.46Å; H140-D142 IonicContact ND1-OD2 3.56Å; H140-D142 PolarHBondContact O-N 3.49Å; H140-L143 WeakPolarHBondContact O-CA 3.4Å; H140-L143 WeakPolarHBondContact O-CB 3.36Å; H140-L143 PolarHBondContact O-N 3.32Å; H140-S144 PolarHBondContact O-N 3.27Å |
| 141 | P | 77.4 | Confident | 71.9 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -13 | -168.8 | 24.9 | -35.6 | 0 | 0 | 0 | 114.5 | S144 R145 | P141-S144 PolarHBondContact O-OG 2.97Å; P141-R145 WeakPolarHBondContact O-CG 3.32Å; P141-R145 PolarHBondContact O-NH1 3.25Å |
| 142 | D | 85.6 | Confident | 73.7 | Confident | 82 Ų | 82 | 104.1 Ų | 104.1 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -76.6 | -35.7 | 167.6 | -66.5 | -38.7 | 0 | 0 | 0 | 112.9 | H140 R145 Q146 | H140-D142 IonicContact CE1-OD2 3.16Å; H140-D142 PolarHBondContact CE1-OD2 3.46Å; H140-D142 IonicContact ND1-OD2 3.56Å; H140-D142 PolarHBondContact O-N 3.49Å; D142-R145 IonicContact OD1-CZ 3.8Å; D142-R145 IonicContact OD1-NH1 3.85Å; D142-R145 PolarHBondContact OD1-NH1 3.43Å; D142-R145 IonicContact OD1-NH2 3.15Å; D142-R145 PolarHBondContact OD1-NH2 3.27Å; D142-Q146 PolarHBondContact O-N 3.12Å |
| 143 | L | 85.2 | Confident | 75.2 | Confident | 96 Ų | 96 | 109.1 Ų | 109.1 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.5 | -40.7 | -179.1 | -173.1 | 63.4 | 0 | 0 | 0 | 111 | V139 H140 R145 Q146 L147 | V139-L143 HydrophobicContact CG1-CB 4.18Å; V139-L143 HydrophobicContact CG1-CD2 4.26Å; V139-L143 HydrophobicContact CG1-CG 4.37Å; H140-L143 WeakPolarHBondContact O-CA 3.4Å; H140-L143 WeakPolarHBondContact O-CB 3.36Å; H140-L143 PolarHBondContact O-N 3.32Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.18Å; L143-Q146 PolarHBondContact O-N 3.18Å; L143-L147 HydrophobicContact CG-CD1 4.2Å; L143-L147 WeakPolarHBondContact O-CB 3.48Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 2.88Å |
| 144 | S | 82.6 | Confident | 76.5 | Confident | 51 Ų | 51 | 110.9 Ų | 110.9 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -39.1 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | H140 P141 L148 | H140-S144 PolarHBondContact O-N 3.27Å; P141-S144 PolarHBondContact O-OG 2.97Å; S144-L148 WeakPolarHBondContact O-CB 3.48Å; S144-L148 PolarHBondContact O-N 3.36Å |
| 145 | R | 86.6 | Confident | 77.5 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 172.2 | -71.9 | -163.5 | -32.5 | -80.9 | -1.6 | 113 | P141 D142 L143 L148 Q149 | P141-R145 WeakPolarHBondContact O-CG 3.32Å; P141-R145 PolarHBondContact O-NH1 3.25Å; D142-R145 IonicContact OD1-CZ 3.8Å; D142-R145 IonicContact OD1-NH1 3.85Å; D142-R145 PolarHBondContact OD1-NH1 3.43Å; D142-R145 IonicContact OD1-NH2 3.15Å; D142-R145 PolarHBondContact OD1-NH2 3.27Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.18Å; R145-L148 PolarHBondContact O-N 3.13Å; R145-Q149 VanDerWaalsContact O-CB 3.32Å; R145-Q149 WeakPolarHBondContact O-CB 3.4Å; R145-Q149 PolarHBondContact O-N 3.42Å |
| 146 | Q | 91.8 | Very high | 78.3 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 41% | 0.411 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -46.5 | 178.2 | -178.5 | 61.3 | 48.5 | 0 | 0 | 110.9 | D142 L143 L148 Q149 D150 | D142-Q146 PolarHBondContact O-N 3.12Å; L143-Q146 PolarHBondContact O-N 3.18Å; Q146-L148 PolarHBondContact O-N 2.92Å; Q146-Q149 WeakPolarHBondContact O-CB 3.49Å; Q146-Q149 PolarHBondContact O-N 3.44Å; Q146-Q149 VanDerWaalsContact O-N 3.13Å; Q146-D150 PolarHBondContact NE2-OD1 2.92Å; Q146-D150 PolarHBondContact NE2-OD2 3.46Å; Q146-D150 PolarHBondContact O-N 3.42Å |
| 147 | L | 89 | Confident | 79.1 | Confident | 47 Ų | 47 | 112.3 Ų | 112.3 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -58.9 | -47 | 176.5 | -70.6 | 169.5 | 0 | 0 | 0 | 111.5 | L143 Q149 D150 G151 Y152 L154 | L143-L147 HydrophobicContact CG-CD1 4.2Å; L143-L147 WeakPolarHBondContact O-CB 3.48Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 2.88Å; L147-Q149 VanDerWaalsContact C-N 3.29Å; L147-Q149 PolarHBondContact O-N 3.46Å; L147-D150 CarbonylContact O-C 3.17Å; L147-D150 PolarHBondContact O-N 3.02Å; L147-G151 PolarHBondContact O-N 3.02Å; L147-G151 VanDerWaalsContact O-N 3.12Å; L147-Y152 CarbonylContact C-O 3.52Å; L147-Y152 CarbonylContact O-C 3.55Å; L147-Y152 WeakPolarHBondContact O-CA 3.26Å; L147-Y152 PolarHBondContact O-N 3.28Å; L147-L154 HydrophobicContact CD1-CD1 4.32Å |
| 148 | L | 84.9 | Confident | 79.5 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.9 | -37.2 | 175.8 | -177.5 | 62.2 | 0 | 0 | 0 | 112.4 | S144 R145 Q146 G151 Y152 R153 | S144-L148 WeakPolarHBondContact O-CB 3.48Å; S144-L148 PolarHBondContact O-N 3.36Å; R145-L148 PolarHBondContact O-N 3.13Å; Q146-L148 PolarHBondContact O-N 2.92Å; L148-G151 PolarHBondContact O-N 3.25Å; L148-Y152 PolarHBondContact N-O 2.81Å; L148-R153 HydrophobicContact CD1-CG 3.83Å |
| 149 | Q | 91.4 | Very high | 79.8 | Confident | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.2 | -33.5 | 176.8 | -175.7 | 159.6 | 34.4 | 0 | 0 | 112.7 | R145 Q146 L147 G151 | R145-Q149 VanDerWaalsContact O-CB 3.32Å; R145-Q149 WeakPolarHBondContact O-CB 3.4Å; R145-Q149 PolarHBondContact O-N 3.42Å; Q146-Q149 WeakPolarHBondContact O-CB 3.49Å; Q146-Q149 PolarHBondContact O-N 3.44Å; Q146-Q149 VanDerWaalsContact O-N 3.13Å; L147-Q149 VanDerWaalsContact C-N 3.29Å; L147-Q149 PolarHBondContact O-N 3.46Å; Q149-G151 PolarHBondContact O-N 3.02Å |
| 150 | D | 90.9 | Very high | 79.8 | Confident | 96 Ų | 96 | 112 Ų | 112 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | 1.5 | 173.6 | -65.7 | -29.1 | 0 | 0 | 0 | 113 | Q146 L147 Y152 | Q146-D150 PolarHBondContact NE2-OD1 2.92Å; Q146-D150 PolarHBondContact NE2-OD2 3.46Å; Q146-D150 PolarHBondContact O-N 3.42Å; L147-D150 CarbonylContact O-C 3.17Å; L147-D150 PolarHBondContact O-N 3.02Å; D150-Y152 HydrophobicContact CB-CD2 3.98Å; D150-Y152 HydrophobicContact CB-CE2 4.42Å |
| 151 | G | 88.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 114.4 Ų | 114.4 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.5 | 0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L147 L148 Q149 R153 | L147-G151 PolarHBondContact O-N 3.02Å; L147-G151 VanDerWaalsContact O-N 3.12Å; L148-G151 PolarHBondContact O-N 3.25Å; Q149-G151 PolarHBondContact O-N 3.02Å; G151-R153 PolarHBondContact O-N 3.29Å |
| 152 | Y | 85 | Confident | 78.9 | Confident | 164 Ų | 164 | 117.4 Ų | 117.4 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | | | trans | -82.8 | 95.2 | 173.2 | -66.4 | -83.4 | 0 | 0 | 0 | 110 | L147 L148 D150 | L147-Y152 CarbonylContact C-O 3.52Å; L147-Y152 CarbonylContact O-C 3.55Å; L147-Y152 WeakPolarHBondContact O-CA 3.26Å; L147-Y152 PolarHBondContact O-N 3.28Å; L148-Y152 PolarHBondContact N-O 2.81Å; D150-Y152 HydrophobicContact CB-CD2 3.98Å; D150-Y152 HydrophobicContact CB-CE2 4.42Å |
| 153 | R | 81.5 | Confident | 78.4 | Confident | 187 Ų | 187 | 118.6 Ų | 118.6 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | | | trans | -79.7 | 123.6 | 165.4 | -63.4 | 176.2 | 63.7 | -175.3 | -4.2 | 107.3 | L148 G151 D155 | L148-R153 HydrophobicContact CD1-CG 3.83Å; G151-R153 PolarHBondContact O-N 3.29Å; R153-D155 PolarHBondContact O-N 3Å |
| 154 | L | 78.9 | Confident | 77.9 | Confident | 98 Ų | 98 | 120.5 Ų | 120.5 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | | | trans | -75.8 | 116.6 | 163.9 | -59 | -179.7 | 0 | 0 | 0 | 105.7 | V139 L147 E156 | V139-L154 HydrophobicContact CG2-CD1 4.44Å; L147-L154 HydrophobicContact CD1-CD1 4.32Å; L154-E156 PolarHBondContact O-N 2.73Å |
| 155 | D | 71.9 | Confident | 77.7 | Confident | 131 Ų | 131 | 124.9 Ų | 124.9 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | | | trans | -74 | 97.6 | 174.8 | -66.5 | -43.7 | 0 | 0 | 0 | 107.4 | R153 I157 | R153-D155 PolarHBondContact O-N 3Å; D155-I157 PolarHBondContact O-N 3.09Å |
| 156 | E | 66.8 | Low | 77 | Confident | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | | | trans | -72.8 | -3.6 | 179.6 | -69.3 | 171.5 | -158.9 | 0 | 0 | 112.9 | L154 P158 | L154-E156 PolarHBondContact O-N 2.73Å; E156-P158 WeakPolarHBondContact O-CD 3.34Å |
| 157 | I | 69.5 | Low | 76.5 | Confident | 126 Ų | 126 | 124.7 Ų | 124.7 | 65% | 0.646 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -73.8 | 117.9 | 169.7 | -53.9 | 176.4 | 0 | 0 | 0 | 106.5 | D155 | D155-I157 PolarHBondContact O-N 3.09Š|
| 158 | P | 65.1 | Low | 75.8 | Confident | 81 Ų | 81 | 128.5 Ų | 128.5 | 53% | 0.526 | 67% | 0.672 | S | S | . | * | | | trans | -61.7 | 143.8 | 175.2 | 20.5 | -24.6 | 0 | 0 | 0 | 110.4 | E156 D160 | E156-P158 WeakPolarHBondContact O-CD 3.34Å; P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 VanDerWaalsContact CG-OD1 3.26Å; P158-D160 WeakPolarHBondContact CG-OD1 3.46Å; P158-D160 PolarHBondContact O-N 2.88Å |
| 159 | D | 65.2 | Low | 75.1 | Confident | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 28.6 | -177.8 | -145 | 24.7 | 0 | 0 | 0 | 111.5 | | |
| 160 | D | 63.6 | Low | 74.3 | Confident | 94 Ų | 94 | 128.9 Ų | 128.9 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | -15.5 | -175.5 | 65.4 | -11.5 | 0 | 0 | 0 | 113.6 | P158 | P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 VanDerWaalsContact CG-OD1 3.26Å; P158-D160 WeakPolarHBondContact CG-OD1 3.46Å; P158-D160 PolarHBondContact O-N 2.88Å |
| 161 | E | 62.7 | Low | 73.1 | Confident | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -20.5 | 176.8 | -71.4 | -121.6 | 103.3 | 0 | 0 | 114.2 | | |
| 162 | D | 70.6 | Confident | 72 | Confident | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -1.2 | 177.2 | -86.5 | 8.9 | 0 | 0 | 0 | 113.2 | D164 | D162-D164 PolarHBondContact O-N 3.36Å; D162-D164 VanDerWaalsContact O-N 3.09Å |
| 163 | L | 75.8 | Confident | 70.6 | Confident | 106 Ų | 106 | 131.5 Ų | 131.5 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | | | trans | -75.6 | 98.6 | 171 | -62.4 | -179.1 | 0 | 0 | 0 | 109 | L165 | L163-L165 HydrophobicContact CB-CD2 3.94Å; L163-L165 HydrophobicContact CB-CG 4.34Å; L163-L165 HydrophobicContact CD1-CD2 4.49Å; L163-L165 PolarHBondContact O-N 3.48Å |
| 164 | D | 74.4 | Confident | 69.5 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -66.7 | 76.9 | 167.2 | 71.4 | -43.2 | 0 | 0 | 0 | 109.4 | D162 I166 | D162-D164 PolarHBondContact O-N 3.36Å; D162-D164 VanDerWaalsContact O-N 3.09Å; D164-I166 VanDerWaalsContact C-N 3.27Å; D164-I166 WeakPolarHBondContact O-CG1 3.4Å; D164-I166 PolarHBondContact O-N 3Å |
| 165 | L | 76.8 | Confident | 68.5 | Low | 143 Ų | 143 | 127.7 Ų | 127.7 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | trans | -58 | 87.5 | -172.5 | -67.8 | -178.5 | 0 | 0 | 0 | 110.7 | L163 P167 | L163-L165 HydrophobicContact CB-CD2 3.94Å; L163-L165 HydrophobicContact CB-CG 4.34Å; L163-L165 HydrophobicContact CD1-CD2 4.49Å; L163-L165 PolarHBondContact O-N 3.48Å; L165-P167 WeakPolarHBondContact O-CD 3.36Å |
| 166 | I | 72.9 | Confident | 67.5 | Low | 126 Ų | 126 | 126.4 Ų | 126.4 | 65% | 0.646 | 73% | 0.728 | S | S | * | * | | | trans | -55.5 | 115 | -179.9 | -59.1 | 179.7 | 0 | 0 | 0 | 106 | D164 | D164-I166 VanDerWaalsContact C-N 3.27Å; D164-I166 WeakPolarHBondContact O-CG1 3.4Å; D164-I166 PolarHBondContact O-N 3Å |
| 167 | P | 81.6 | Confident | 66.8 | Low | 103 Ų | 103 | 123.7 Ų | 123.7 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131 | -177.6 | -28.5 | 36.1 | 0 | 0 | 0 | 109.1 | L165 K169 | L165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-K169 PolarHBondContact O-N 3.41Å |
| 168 | P | 74.8 | Confident | 66.2 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 120.4 | -171.5 | 20.4 | -32.7 | 0 | 0 | 0 | 108.9 | A170 | P168-A170 PolarHBondContact O-N 3.5Å; P168-A170 VanDerWaalsContact O-N 3.08Å |
| 169 | K | 70.2 | Confident | 65.7 | Low | 187 Ų | 187 | 123.6 Ų | 123.6 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.5 | -173.3 | -84 | 176.2 | 172.6 | 167.6 | 0 | 109.4 | P167 M171 | P167-K169 PolarHBondContact O-N 3.41Å; K169-M171 PolarHBondContact O-N 3.42Å |
| 170 | A | 74.6 | Confident | 64.8 | Low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 136.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | P168 G172 | P168-A170 PolarHBondContact O-N 3.5Å; P168-A170 VanDerWaalsContact O-N 3.08Å; A170-G172 PolarHBondContact O-N 2.72Å |
| 171 | M | 64.4 | Low | 64.4 | Low | 204 Ų | 204 | 125.1 Ų | 125.1 | 100% | 1.005 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -74 | 69.7 | -171.6 | -47.6 | 177.5 | 87 | 0 | 0 | 110.6 | K169 | K169-M171 PolarHBondContact O-N 3.42Š|
| 172 | G | 66.8 | Low | 64 | Low | 60 Ų | 60 | 122.7 Ų | 122.7 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | | | trans | -161.4 | 122.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A170 | A170-G172 PolarHBondContact O-N 2.72Š|
| 173 | S | 55 | Low | 63.5 | Low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 66 | 97.5 | -178.6 | -163.6 | 0 | 0 | 0 | 0 | 116.2 | A175 | S173-A175 PolarHBondContact O-N 3.31Š|
| 174 | S | 58.3 | Low | 62.2 | Low | 126 Ų | 126 | 122.1 Ų | 122.1 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | | | trans | -69.3 | 78.5 | 156.8 | 166.8 | 0 | 0 | 0 | 0 | 109.8 | C176 | S174-C176 PolarHBondContact O-N 3.01Š|
| 175 | A | 57.1 | Low | 61.5 | Low | 79 Ų | 79 | 120.8 Ų | 120.8 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | | | trans | -72.2 | 114.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S173 | S173-A175 PolarHBondContact O-N 3.31Š|
| 176 | C | 50.6 | Low | 60.4 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 123.4 | -176.4 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | S174 C178 | S174-C176 PolarHBondContact O-N 3.01Å; C176-C178 PolarHBondContact O-N 2.7Å; C176-C178 VanDerWaalsContact O-N 3.1Å |
| 177 | C | 53.3 | Low | 59.1 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -82.9 | 37.2 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 114 | | |
| 178 | C | 56.6 | Low | 58 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | -126.9 | 40.3 | -177.4 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | C176 | C176-C178 PolarHBondContact O-N 2.7Å; C176-C178 VanDerWaalsContact O-N 3.1Å |
| 179 | A | 55.5 | Low | 57.1 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -145 | 133.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 180 | E | 44.6 | Very low | 56.3 | Low | 183 Ų | 183 | 125.1 Ų | 125.1 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | cis | -151.2 | 138.4 | 13.1 | -168.1 | 164.6 | 143 | 0 | 0 | 108.3 | | |
| 181 | A | 56.5 | Low | 55.3 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -92 | 136.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 182 | P | 54.4 | Low | 54.7 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -133.8 | 114.9 | 137.7 | 32.1 | -18.5 | 0 | 0 | 0 | 113.2 | | |
| 183 | S | 58.8 | Low | 53.9 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | 37.1 | 94 | 134.1 | -178.5 | 0 | 0 | 0 | 0 | 118.9 | S185 | S183-S185 PolarHBondContact O-N 3.16Š|
| 184 | C | 48.6 | Very low | 53.8 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | | | trans | -82.1 | 107.9 | 155.3 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 185 | S | 59.8 | Low | 53.5 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -82.8 | 116.3 | 167.2 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | S183 | S183-S185 PolarHBondContact O-N 3.16Š|
| 186 | V | 53.3 | Low | 53.2 | Low | 144 Ų | 144 | 131.9 Ų | 131.9 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | | | trans | -76.2 | 140 | 169.1 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 187 | Q | 46 | Very low | 53.4 | Low | 258 Ų | 258 | 134.5 Ų | 134.5 | 100% | 1.206 | 84% | 0.843 | S | S | * | * | | | trans | -120.9 | 0 | 171.4 | -172.8 | 174.2 | 49.7 | 0 | 0 | 109.3 | | |