| 1 | K | 43.9 | Very low | 57.4 | Low | 272 Ų | 272 | 159 Ų | 159 | 100% | 1.183 | 84% | 0.84 | S | S | * | * | | | | 0 | 135.9 | 0 | -80.5 | 178 | 173.7 | -177.3 | 0 | 107.8 | | |
| 2 | S | 54.8 | Low | 58 | Low | 120 Ų | 120 | 156.2 Ų | 156.2 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -65.8 | 142.4 | -156.4 | -178.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 3 | V | 52.9 | Low | 58.1 | Low | 125 Ų | 125 | 150.7 Ų | 150.7 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | | | trans | -57.7 | 134.4 | 168.2 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 4 | Q | 58.5 | Low | 57.7 | Low | 200 Ų | 200 | 148.5 Ų | 148.5 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | | | trans | -117.7 | 100.1 | 163.3 | -146.1 | 165.2 | 0.8 | 0 | 0 | 109.3 | G6 | Q4-G6 PolarHBondContact O-N 3.31Š|
| 5 | K | 61.3 | Low | 57.8 | Low | 184 Ų | 184 | 149.1 Ų | 149.1 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -63.5 | 112.8 | -179.4 | -160.6 | 174.5 | -178.4 | -178.6 | 0 | 107.9 | E7 | K5-E7 PolarHBondContact O-N 3.38Š|
| 6 | G | 58 | Low | 57.8 | Low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q4 | Q4-G6 PolarHBondContact O-N 3.31Š|
| 7 | E | 59.2 | Low | 57.6 | Low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 140.6 | -165.9 | -156.7 | 170.4 | 173.4 | 0 | 0 | 111.6 | K5 | K5-E7 PolarHBondContact O-N 3.38Š|
| 8 | L | 56.3 | Low | 57.8 | Low | 143 Ų | 143 | 145.7 Ų | 145.7 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50 | 141.9 | -176.3 | -95.7 | 115.9 | 0 | 0 | 0 | 113.6 | R10 | L8-R10 PolarHBondContact O-N 3.33Š|
| 9 | S | 62.4 | Low | 58.1 | Low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -12.4 | 109.9 | 146.8 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 10 | R | 60.7 | Low | 58.3 | Low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | trans | -115.2 | 98 | 159.3 | -95.7 | -175.8 | 175.9 | -170 | 0.2 | 108.6 | L8 | L8-R10 PolarHBondContact O-N 3.33Š|
| 11 | S | 63.7 | Low | 58.4 | Low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56 | 145.6 | 163.1 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | S13 | S11-S13 PolarHBondContact O-N 3.45Š|
| 12 | P | 64.1 | Low | 59.2 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.1 | 176.9 | 23.3 | -31.7 | 0 | 0 | 0 | 110.6 | | |
| 13 | S | 58.8 | Low | 59.4 | Low | 85 Ų | 85 | 139.1 Ų | 139.1 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 139.7 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | S11 F15 | S11-S13 PolarHBondContact O-N 3.45Å; S13-F15 PolarHBondContact O-N 3.48Å; S13-F15 WeakPolarHBondContact OG-CD2 3.48Å |
| 14 | P | 53.1 | Low | 59.9 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -81.1 | 64.6 | 179.2 | 36.6 | -33.9 | 0 | 0 | 0 | 109.8 | | |
| 15 | F | 58.7 | Low | 60.1 | Low | 158 Ų | 158 | 144.9 Ų | 144.9 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | | | trans | -119.7 | 60.9 | 167 | -82.6 | -81.8 | 0 | 0 | 0 | 109.6 | S13 H17 | S13-F15 PolarHBondContact O-N 3.48Å; S13-F15 WeakPolarHBondContact OG-CD2 3.48Å; F15-H17 AromaticContact CD1-NE2 3.81Å |
| 16 | T | 58.3 | Low | 60.3 | Low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -91.2 | 91 | 151.1 | 54.6 | 0 | 0 | 0 | 0 | 106.4 | T18 | T16-T18 PolarHBondContact O-N 3.38Š|
| 17 | H | 55.3 | Low | 60.5 | Low | 143 Ų | 143 | 145.3 Ų | 145.3 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | trans | -55.9 | 108.6 | 164.5 | -89.3 | -83.3 | 0 | 0 | 0 | 107.5 | F15 H19 | F15-H17 AromaticContact CD1-NE2 3.81Å; H17-H19 PolarHBondContact O-N 3.32Å |
| 18 | T | 60.5 | Low | 60.9 | Low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -52.1 | 109.7 | 165.1 | 42.8 | 0 | 0 | 0 | 0 | 108 | T16 L20 | T16-T18 PolarHBondContact O-N 3.38Å; T18-L20 PolarHBondContact O-N 2.83Å |
| 19 | H | 63.1 | Low | 61.6 | Low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | trans | -69.9 | 84.8 | 166.1 | -73.5 | -82.4 | 0 | 0 | 0 | 107.4 | H17 A21 | H17-H19 PolarHBondContact O-N 3.32Å; H19-A21 PolarHBondContact O-N 3.26Å |
| 20 | L | 61.5 | Low | 62.2 | Low | 151 Ų | 151 | 147.5 Ų | 147.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -59 | 121.2 | 173 | -76.2 | 168.8 | 0 | 0 | 0 | 108.7 | T18 | T18-L20 PolarHBondContact O-N 2.83Š|
| 21 | A | 60.7 | Low | 62.6 | Low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 39.7 | 108.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116 | H19 G23 | H19-A21 PolarHBondContact O-N 3.26Å; A21-G23 PolarHBondContact O-N 3.43Å |
| 22 | Q | 60.6 | Low | 62.5 | Low | 207 Ų | 207 | 147.1 Ų | 147.1 | 97% | 0.967 | 77% | 0.771 | S | S | * | * | | | trans | -60.1 | 81.9 | 154.2 | -174 | 173.3 | -5 | 0 | 0 | 108.2 | Y24 | Q22-Y24 PolarHBondContact O-N 3.33Å; Q22-Y24 VanDerWaalsContact O-N 3.14Å |
| 23 | G | 59.8 | Low | 62.4 | Low | 57 Ų | 57 | 147 Ų | 147 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | trans | -59.7 | 116 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A21 R25 | A21-G23 PolarHBondContact O-N 3.43Å; G23-R25 PolarHBondContact O-N 3.25Å |
| 24 | Y | 62.9 | Low | 62.6 | Low | 197 Ų | 197 | 148.2 Ų | 148.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -51.9 | 104.3 | 169.4 | -160.3 | -90.8 | 0 | 0 | 0 | 107.5 | Q22 R26 | Q22-Y24 PolarHBondContact O-N 3.33Å; Q22-Y24 VanDerWaalsContact O-N 3.14Å; Y24-R26 HydrophobicContact CD1-CB 3.99Å; Y24-R26 HydrophobicContact CE1-CB 4.4Å; Y24-R26 PolarHBondContact O-N 3.45Å |
| 25 | R | 62.2 | Low | 63.3 | Low | 249 Ų | 249 | 151.3 Ų | 151.3 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | | | trans | -67.9 | 82.2 | 168.1 | -81.4 | -159.3 | -172.6 | -123.7 | 6 | 107.1 | G23 G27 | G23-R25 PolarHBondContact O-N 3.25Å; R25-G27 PolarHBondContact O-N 3.3Å |
| 26 | R | 65.5 | Low | 63.4 | Low | 207 Ų | 207 | 152 Ų | 152 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -70.2 | 91.5 | 162.5 | -161.1 | 175.9 | -71.9 | -159.1 | -0.8 | 105 | Y24 A28 | Y24-R26 HydrophobicContact CD1-CB 3.99Å; Y24-R26 HydrophobicContact CE1-CB 4.4Å; Y24-R26 PolarHBondContact O-N 3.45Å; R26-A28 PolarHBondContact O-N 3.36Å |
| 27 | G | 63.7 | Low | 63.8 | Low | 62 Ų | 62 | 153.3 Ų | 153.3 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | trans | -53.3 | 114.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R25 K29 | R25-G27 PolarHBondContact O-N 3.3Å; G27-K29 PolarHBondContact O-N 3.46Å |
| 28 | A | 67.4 | Low | 63.9 | Low | 97 Ų | 97 | 154.6 Ų | 154.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -62.6 | 111 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | R26 K30 | R26-A28 PolarHBondContact O-N 3.36Å; A28-K30 PolarHBondContact O-N 3.34Å |
| 29 | K | 71.5 | Confident | 63.9 | Low | 187 Ų | 187 | 154 Ų | 154 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.2 | 166.3 | -69.5 | -179.7 | 176.6 | -178 | 0 | 105.8 | G27 L31 | G27-K29 PolarHBondContact O-N 3.46Å; K29-L31 PolarHBondContact O-N 3.43Å; K29-L31 VanDerWaalsContact O-N 3.1Å |
| 30 | K | 74.2 | Confident | 64 | Low | 194 Ų | 194 | 149.4 Ų | 149.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 117.6 | 168.8 | -89.8 | -172.1 | 164.2 | -165.4 | 0 | 106.5 | A28 | A28-K30 PolarHBondContact O-N 3.34Š|
| 31 | L | 69.4 | Low | 63.8 | Low | 154 Ų | 154 | 150.8 Ų | 150.8 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 121.5 | 168.4 | -62.6 | 173.8 | 0 | 0 | 0 | 105.6 | K29 S33 | K29-L31 PolarHBondContact O-N 3.43Å; K29-L31 VanDerWaalsContact O-N 3.1Å; L31-S33 PolarHBondContact O-N 3.23Å |
| 32 | E | 61.9 | Low | 64 | Low | 179 Ų | 179 | 153.9 Ų | 153.9 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118 | 166.9 | -68.5 | 93.3 | -165.8 | 0 | 0 | 107.8 | S34 | E32-S34 PolarHBondContact O-N 3.3Å; E32-S34 VanDerWaalsContact O-N 3.08Å |
| 33 | S | 61.4 | Low | 64.3 | Low | 121 Ų | 121 | 151.7 Ų | 151.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -62.7 | 109.9 | 173.2 | -48.9 | 0 | 0 | 0 | 0 | 108.2 | L31 E35 | L31-S33 PolarHBondContact O-N 3.23Å; S33-E35 PolarHBondContact O-N 3.1Å |
| 34 | S | 63.3 | Low | 65 | Low | 112 Ų | 112 | 157.9 Ų | 157.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.3 | 166.8 | 52 | 0 | 0 | 0 | 0 | 108.6 | E32 E36 | E32-S34 PolarHBondContact O-N 3.3Å; E32-S34 VanDerWaalsContact O-N 3.08Å; S34-E36 PolarHBondContact O-N 3.44Å |
| 35 | E | 66.9 | Low | 65.6 | Low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 124.9 | 176.5 | -174.4 | 154.7 | 116.4 | 0 | 0 | 110.9 | S33 N37 | S33-E35 PolarHBondContact O-N 3.1Å; E35-N37 PolarHBondContact O-N 3.48Å |
| 36 | E | 61.4 | Low | 66 | Low | 173 Ų | 173 | 148 Ų | 148 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.4 | 171.9 | 52.4 | -159.6 | 139.5 | 0 | 0 | 108.5 | S34 L38 | S34-E36 PolarHBondContact O-N 3.44Å; E36-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact O-N 3.15Å |
| 37 | N | 65.9 | Low | 66.4 | Low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51 | 122.9 | 170.9 | -70.3 | -82.9 | 0 | 0 | 0 | 107.9 | E35 S39 | E35-N37 PolarHBondContact O-N 3.48Å; N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.48Å |
| 38 | L | 58.5 | Low | 67 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | -52.1 | 101 | 174.3 | -59.4 | 175.4 | 0 | 0 | 0 | 108.2 | E36 S40 | E36-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact O-N 3.15Å; L38-S40 PolarHBondContact O-N 3.3Å; L38-S40 VanDerWaalsContact O-N 3.11Å |
| 39 | S | 60.5 | Low | 67.7 | Low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -57.7 | 117.2 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | N37 E41 | N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.48Å; S39-E41 PolarHBondContact O-N 3.09Å |
| 40 | S | 64.1 | Low | 68 | Low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | trans | -71.3 | 67.6 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | L38 D42 | L38-S40 PolarHBondContact O-N 3.3Å; L38-S40 VanDerWaalsContact O-N 3.11Å; S40-D42 PolarHBondContact O-N 3.15Å; S40-D42 VanDerWaalsContact O-N 3.11Å |
| 41 | E | 58.7 | Low | 68.2 | Low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 45.6 | 174.2 | -161.9 | 168.9 | 106.9 | 0 | 0 | 110.3 | S39 | S39-E41 PolarHBondContact O-N 3.09Š|
| 42 | D | 64.1 | Low | 68.5 | Low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 25.5 | 173.9 | -165.4 | 37.1 | 0 | 0 | 0 | 111.5 | S40 E44 | S40-D42 PolarHBondContact O-N 3.15Å; S40-D42 VanDerWaalsContact O-N 3.11Å; D42-E44 PolarHBondContact O-N 3.33Å |
| 43 | E | 67.1 | Low | 69.3 | Low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | -78.8 | 96.3 | 163.9 | -67.5 | -105.3 | 154.1 | 0 | 0 | 107 | L45 | E43-L45 PolarHBondContact O-N 3.02Š|
| 44 | E | 73.5 | Confident | 69.8 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | | | trans | -58.1 | 103 | 177.8 | -172.6 | 176.2 | 178.3 | 0 | 0 | 109.7 | D42 | D42-E44 PolarHBondContact O-N 3.33Š|
| 45 | L | 76 | Confident | 70.2 | Confident | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.8 | -179.2 | -67.3 | 177.8 | 0 | 0 | 0 | 109.7 | E43 C47 | E43-L45 PolarHBondContact O-N 3.02Å; L45-C47 PolarHBondContact O-N 3.32Å |
| 46 | P | 71.4 | Confident | 70.1 | Confident | 95 Ų | 95 | 135.1 Ų | 135.1 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.8 | 179 | 23.3 | -32.4 | 0 | 0 | 0 | 108.8 | H50 | P46-H50 HydrophobicContact CB-CB 4.2Š|
| 47 | C | 74.4 | Confident | 69.8 | Low | 54 Ų | 54 | 131.3 Ų | 131.3 | 37% | 0.365 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -56 | 150.7 | 179.7 | 83.9 | 0 | 0 | 0 | 0 | 109.9 | L45 Q49 H50 L51 | L45-C47 PolarHBondContact O-N 3.32Å; C47-Q49 PolarHBondContact O-N 3.06Å; C47-H50 WeakPolarHBondContact O-CA 3.44Å; C47-H50 WeakPolarHBondContact O-CB 3.4Å; C47-H50 PolarHBondContact O-N 2.79Å; C47-H50 VanDerWaalsContact SG-CE1 3.5Å; C47-H50 PolarHBondContact SG-ND1 3.06Å; C47-L51 PolarHBondContact O-N 3.48Å |
| 48 | F | 75.8 | Confident | 69.2 | Low | 161 Ų | 161 | 130.8 Ų | 130.8 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -54.4 | -26.7 | -176.4 | -91.6 | -86.4 | 0 | 0 | 0 | 113.4 | L51 L52 | F48-L51 PolarHBondContact O-N 2.95Å; F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.5Å |
| 49 | Q | 80.7 | Confident | 68.9 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.5 | -35.8 | 175.1 | -58 | 166.4 | 20.7 | 0 | 0 | 111.5 | C47 L51 F53 | C47-Q49 PolarHBondContact O-N 3.06Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-F53 WeakPolarHBondContact O-CA 3.31Å; Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.48Å; Q49-F53 PolarHBondContact O-N 3.5Å |
| 50 | H | 78.1 | Confident | 68.3 | Low | 123 Ų | 123 | 130 Ų | 130 | 57% | 0.569 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.2 | -26.1 | 171.2 | -62 | 122.4 | 0 | 0 | 0 | 113 | P46 C47 G54 | P46-H50 HydrophobicContact CB-CB 4.2Å; C47-H50 WeakPolarHBondContact O-CA 3.44Å; C47-H50 WeakPolarHBondContact O-CB 3.4Å; C47-H50 PolarHBondContact O-N 2.79Å; C47-H50 VanDerWaalsContact SG-CE1 3.5Å; C47-H50 PolarHBondContact SG-ND1 3.06Å; H50-G54 WeakPolarHBondContact O-CA 3.3Å; H50-G54 PolarHBondContact O-N 3.39Å |
| 51 | L | 78.3 | Confident | 67.6 | Low | 129 Ų | 129 | 130.3 Ų | 130.3 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.6 | -41.5 | 174.5 | -176.4 | 59.6 | 0 | 0 | 0 | 111.6 | C47 F48 Q49 | C47-L51 PolarHBondContact O-N 3.48Å; F48-L51 PolarHBondContact O-N 2.95Å; Q49-L51 VanDerWaalsContact C-N 3.32Å |
| 52 | L | 77.4 | Confident | 67.2 | Low | 126 Ų | 126 | 131 Ų | 131 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -81.2 | -35.4 | -177.4 | -65.3 | 174.7 | 0 | 0 | 0 | 112.8 | F48 | F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.5Å |
| 53 | F | 78.7 | Confident | 66.4 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -124.3 | 12.3 | -174.2 | -52.8 | -71 | 0 | 0 | 0 | 112.9 | Q49 K55 | Q49-F53 WeakPolarHBondContact O-CA 3.31Å; Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.48Å; Q49-F53 PolarHBondContact O-N 3.5Å; F53-K55 PolarHBondContact O-N 3.29Å |
| 54 | G | 70.2 | Confident | 65.4 | Low | 38 Ų | 38 | 126.5 Ų | 126.5 | 39% | 0.392 | 68% | 0.677 | S | S | . | * | | | trans | -55.5 | 114.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | H50 V56 | H50-G54 WeakPolarHBondContact O-CA 3.3Å; H50-G54 PolarHBondContact O-N 3.39Å; G54-V56 PolarHBondContact O-N 3.19Å |
| 55 | K | 71.6 | Confident | 64.3 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | | | trans | -69.8 | 113.6 | -178.9 | -159.8 | 178.1 | 175.6 | 171.6 | 0 | 108.8 | F53 N57 | F53-K55 PolarHBondContact O-N 3.29Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 WeakPolarHBondContact CD-OD1 3.43Å; K55-N57 VanDerWaalsContact CG-OD1 3.29Å; K55-N57 WeakPolarHBondContact CG-OD1 2.92Å; K55-N57 PolarHBondContact O-N 2.92Å |
| 56 | V | 65.5 | Low | 62.5 | Low | 112 Ų | 112 | 129.2 Ų | 129.2 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | | | trans | -74.4 | 89.5 | 175 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | G54 N58 | G54-V56 PolarHBondContact O-N 3.19Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.35Å; V56-N58 PolarHBondContact O-N 2.94Å |
| 57 | N | 55.3 | Low | 61.1 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | | | trans | -86.7 | 90 | 172.8 | -60.8 | -23.6 | 0 | 0 | 0 | 108.3 | K55 I59 | K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 WeakPolarHBondContact CD-OD1 3.43Å; K55-N57 VanDerWaalsContact CG-OD1 3.29Å; K55-N57 WeakPolarHBondContact CG-OD1 2.92Å; K55-N57 PolarHBondContact O-N 2.92Å; N57-I59 PolarHBondContact O-N 3.46Å; N57-I59 VanDerWaalsContact O-N 3.09Å |
| 58 | N | 52.3 | Low | 59.7 | Low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | | | trans | -78 | 29.1 | 169.7 | -65.2 | -44.4 | 0 | 0 | 0 | 112.6 | V56 | V56-N58 WeakPolarHBondContact CG1-ND2 3.35Å; V56-N58 PolarHBondContact O-N 2.94Å |
| 59 | I | 54.2 | Low | 58.3 | Low | 136 Ų | 136 | 131.7 Ų | 131.7 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -131 | 125 | 177.8 | -47 | 176 | 0 | 0 | 0 | 106.7 | N57 S61 | N57-I59 PolarHBondContact O-N 3.46Å; N57-I59 VanDerWaalsContact O-N 3.09Å; I59-S61 PolarHBondContact O-N 3.48Å |
| 60 | P | 47.4 | Very low | 56.8 | Low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | | | trans | -56.7 | 116.1 | 178.5 | -19.8 | 30.2 | 0 | 0 | 0 | 108.9 | Q62 | P60-Q62 PolarHBondContact O-N 3.47Š|
| 61 | S | 48.1 | Very low | 55.4 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | -67.5 | 75.7 | 169.9 | -62.8 | 0 | 0 | 0 | 0 | 109.3 | I59 S63 | I59-S61 PolarHBondContact O-N 3.48Å; S61-S63 PolarHBondContact O-N 3.01Å |
| 62 | Q | 51.2 | Low | 53.6 | Low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | | | trans | -77.1 | 72.7 | 155.2 | -83.9 | -166.7 | -6.2 | 0 | 0 | 108 | P60 | P60-Q62 PolarHBondContact O-N 3.47Š|
| 63 | S | 48.3 | Very low | 52.2 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -105.7 | 74 | 167.4 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | S61 | S61-S63 PolarHBondContact O-N 3.01Š|
| 64 | T | 45.3 | Very low | 50.6 | Low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -142.1 | 101.5 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 65 | R | 50.3 | Low | 49.4 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 53.7 | 109.7 | 151.9 | -57.4 | 177 | 173.1 | 140.3 | -0.6 | 113 | | |
| 66 | H | 38.8 | Very low | 48.2 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | | -170 | 151 | 73.2 | -73.5 | -79.7 | 0 | 0 | 0 | 110.7 | | |
| 67 | S | 40.9 | Very low | 47.4 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | 86.7 | 101 | 145.8 | -150.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 68 | T | 45.5 | Very low | 47 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | | 69.4 | 101.6 | 122.5 | -40.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 69 | V | 46.5 | Very low | 46.8 | Very low | 138 Ų | 138 | 137 Ų | 137 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | 41.6 | 108.3 | 137.7 | -171.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 70 | A | 48.2 | Very low | 46.6 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | -167 | 104 | 136 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 71 | T | 48.5 | Very low | 46.9 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 22.8 | 114.9 | 143.5 | 47 | 0 | 0 | 0 | 0 | 121.4 | | |
| 72 | E | 42.2 | Very low | 47.2 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | | | trans | 59.6 | 130.6 | 133.4 | -147.6 | 167.4 | -167.4 | 0 | 0 | 121.8 | | |
| 73 | C | 46.6 | Very low | 47.2 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | | | trans | -90.2 | 164.4 | -166.6 | -51.6 | 0 | 0 | 0 | 0 | 114 | | |
| 74 | L | 45.8 | Very low | 47.4 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | trans | 129.2 | 100.9 | 138.3 | -157.1 | 139.1 | 0 | 0 | 0 | 113.7 | K76 | L74-K76 HydrophobicContact CD2-CD 4.15Å; L74-K76 HydrophobicContact CD2-CG 3.79Å |
| 75 | S | 44.3 | Very low | 47.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | -128.3 | 123.4 | 165.8 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 76 | K | 46.6 | Very low | 47.9 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -94.5 | 115.9 | -171.2 | -56.6 | 167.3 | -175.3 | 175.3 | 0 | 108.6 | L74 | L74-K76 HydrophobicContact CD2-CD 4.15Å; L74-K76 HydrophobicContact CD2-CG 3.79Å |
| 77 | N | 49.4 | Very low | 48.8 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | | | trans | -111.5 | 100.1 | 175.4 | 54.7 | -19.5 | 0 | 0 | 0 | 110.7 | E80 | N77-E80 WeakPolarHBondContact CB-OE1 3.29Å; N77-E80 PolarHBondContact ND2-OE1 2.77Å |
| 78 | T | 46.3 | Very low | 49.5 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | | | trans | -107.6 | -1.2 | -167.7 | -57.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 79 | E | 48.3 | Very low | 49.7 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -112.2 | -36.4 | -170.6 | -161 | 167.3 | 177.8 | 0 | 0 | 115 | N81 | E79-N81 PolarHBondContact O-N 3.36Š|
| 80 | E | 50.8 | Low | 50.2 | Low | 130 Ų | 130 | 125 Ų | 125 | 61% | 0.607 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.5 | -22.7 | -174.4 | 64.9 | -157.9 | 172.6 | 0 | 0 | 114.6 | N77 | N77-E80 WeakPolarHBondContact CB-OE1 3.29Å; N77-E80 PolarHBondContact ND2-OE1 2.77Å |
| 81 | N | 53.6 | Low | 50.3 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.6 | -30.8 | -174.3 | -154 | -80.5 | 0 | 0 | 0 | 112.9 | E79 L85 | E79-N81 PolarHBondContact O-N 3.36Å; N81-L85 PolarHBondContact O-N 3.31Å |
| 82 | L | 53.7 | Low | 50.2 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 63% | 0.634 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.9 | -33.7 | -175.2 | -63.9 | -179.5 | 0 | 0 | 0 | 113.1 | K86 | L82-K86 PolarHBondContact O-N 3.06Å |
| 83 | L | 50.7 | Low | 50.7 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.6 | -35.2 | 178 | -68.7 | 171.1 | 0 | 0 | 0 | 111.8 | N87 | L83-N87 PolarHBondContact O-N 3.21Å |
| 84 | S | 52.8 | Low | 51.1 | Low | 83 Ų | 83 | 119.5 Ų | 119.5 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -42.2 | 178 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | K86 N87 S88 | S84-K86 VanDerWaalsContact C-N 3.31Å; S84-K86 PolarHBondContact O-N 3.25Å; S84-N87 PolarHBondContact O-N 3.27Å; S84-S88 PolarHBondContact O-N 3.02Å |
| 85 | L | 53.9 | Low | 51.2 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 62% | 0.618 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.1 | -36.3 | 177.3 | -174 | 62.7 | 0 | 0 | 0 | 112.4 | N81 N87 S88 L89 | N81-L85 PolarHBondContact O-N 3.31Å; L85-N87 PolarHBondContact O-N 3.26Å; L85-S88 PolarHBondContact O-N 3.37Å; L85-L89 PolarHBondContact O-N 3.46Å |
| 86 | K | 51.8 | Low | 51.2 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.2 | -32.8 | 179.7 | -158 | -178.6 | 98.5 | -175.3 | 0 | 112.9 | L82 S84 | L82-K86 PolarHBondContact O-N 3.06Å; S84-K86 VanDerWaalsContact C-N 3.31Å; S84-K86 PolarHBondContact O-N 3.25Å |
| 87 | N | 58.5 | Low | 51.4 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 54% | 0.54 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74.9 | -37.6 | 177.4 | -73.4 | -12.7 | 0 | 0 | 0 | 111.8 | L83 S84 L85 L89 N90 | L83-N87 PolarHBondContact O-N 3.21Å; S84-N87 PolarHBondContact O-N 3.27Å; L85-N87 PolarHBondContact O-N 3.26Å; N87-L89 VanDerWaalsContact C-N 3.27Å; N87-L89 PolarHBondContact O-N 3.48Å; N87-N90 PolarHBondContact O-N 3.08Å |
| 88 | S | 56.2 | Low | 51.4 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.8 | -32.6 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 113.3 | S84 L85 | S84-S88 PolarHBondContact O-N 3.02Å; L85-S88 PolarHBondContact O-N 3.37Å |
| 89 | L | 49.7 | Very low | 51.3 | Low | 135 Ų | 135 | 117.4 Ų | 117.4 | 71% | 0.707 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.1 | -32.3 | 179.2 | -172.4 | 66.9 | 0 | 0 | 0 | 112.5 | L85 N87 D91 C92 | L85-L89 PolarHBondContact O-N 3.46Å; N87-L89 VanDerWaalsContact C-N 3.27Å; N87-L89 PolarHBondContact O-N 3.48Å; L89-D91 VanDerWaalsContact C-N 3.34Å; L89-C92 PolarHBondContact O-N 3.42Å |
| 90 | N | 55.3 | Low | 51.4 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.2 | -32.4 | -178.2 | 104.7 | 27 | 0 | 0 | 0 | 112 | N87 C92 S93 | N87-N90 PolarHBondContact O-N 3.08Å; N90-C92 PolarHBondContact O-N 2.82Å; N90-S93 PolarHBondContact O-N 2.96Å |
| 91 | D | 50.9 | Low | 51.2 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -70.7 | -14 | -179.3 | -113 | -15.3 | 0 | 0 | 0 | 113.1 | L89 S93 | L89-D91 VanDerWaalsContact C-N 3.34Å; D91-S93 VanDerWaalsContact C-N 3.28Å; D91-S93 PolarHBondContact O-N 3.42Å |
| 92 | C | 47.8 | Very low | 51.1 | Low | 71 Ų | 71 | 114.5 Ų | 114.5 | 48% | 0.48 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -77.7 | -10.4 | 178.5 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | L89 N90 N94 Q95 | L89-C92 PolarHBondContact O-N 3.42Å; N90-C92 PolarHBondContact O-N 2.82Å; C92-N94 VanDerWaalsContact C-N 3.31Å; C92-N94 PolarHBondContact O-N 3.03Å; C92-Q95 PolarHBondContact O-N 3.46Å |
| 93 | S | 52.1 | Low | 51 | Low | 87 Ų | 87 | 113.6 Ų | 113.6 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -70 | -26.4 | -176.4 | -168.8 | 0 | 0 | 0 | 0 | 113.4 | N90 D91 | N90-S93 PolarHBondContact O-N 2.96Å; D91-S93 VanDerWaalsContact C-N 3.28Å; D91-S93 PolarHBondContact O-N 3.42Å |
| 94 | N | 53.6 | Low | 50.6 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -89.8 | -9.7 | -177.6 | -65.9 | -38.6 | 0 | 0 | 0 | 113.6 | C92 | C92-N94 VanDerWaalsContact C-N 3.31Å; C92-N94 PolarHBondContact O-N 3.03Å |
| 95 | Q | 49.3 | Very low | 50.4 | Low | 143 Ų | 143 | 118 Ų | 118 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -87.3 | -2.8 | 177.4 | -74 | -161.6 | 64.9 | 0 | 0 | 114.2 | C92 I97 L98 | C92-Q95 PolarHBondContact O-N 3.46Å; Q95-I97 PolarHBondContact O-N 3.26Å; Q95-I97 VanDerWaalsContact O-N 3.1Å; Q95-L98 PolarHBondContact O-N 3.13Å |
| 96 | V | 43.7 | Very low | 50.1 | Low | 100 Ų | 100 | 118.1 Ų | 118.1 | 61% | 0.606 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -16.9 | -176.6 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 97 | I | 51.2 | Low | 50 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -23.5 | -177.9 | -57.2 | -178.8 | 0 | 0 | 0 | 112.6 | Q95 | Q95-I97 PolarHBondContact O-N 3.26Å; Q95-I97 VanDerWaalsContact O-N 3.1Å |
| 98 | L | 49 | Very low | 49.5 | Very low | 156 Ų | 156 | 118.2 Ų | 118.2 | 82% | 0.817 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -87.3 | -14.7 | -173.3 | -144.1 | 73.7 | 0 | 0 | 0 | 114.3 | Q95 K100 | Q95-L98 PolarHBondContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 2.97Å |
| 99 | A | 44.7 | Very low | 49.2 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 54% | 0.537 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -83.7 | -5.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A101 | A99-A101 PolarHBondContact O-N 2.93Š|
| 100 | K | 49.7 | Very low | 49.3 | Very low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -76.9 | -16.9 | -173.5 | -71.2 | -68.1 | -171 | 179.4 | 0 | 114.9 | L98 | L98-K100 PolarHBondContact O-N 2.97Š|
| 101 | A | 46.7 | Very low | 49.3 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 85% | 0.851 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -14.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | A99 | A99-A101 PolarHBondContact O-N 2.93Š|
| 102 | S | 50.7 | Low | 49.9 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -11.8 | -179.6 | -169.4 | 0 | 0 | 0 | 0 | 113.6 | E104 | S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.15Å |
| 103 | Q | 52.9 | Low | 50.8 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 48% | 0.481 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.9 | -22.3 | -166.3 | -171.3 | 172 | -0.2 | 0 | 0 | 115 | L107 | Q103-L107 HydrophobicContact CG-CD1 3.88Å; Q103-L107 WeakPolarHBondContact O-CD1 3.36Å |
| 104 | E | 42.9 | Very low | 51.7 | Low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.6 | -28 | -173.2 | -157.7 | 170.8 | -178.7 | 0 | 0 | 113.9 | S102 | S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.15Å |
| 105 | H | 48.4 | Very low | 52.4 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -88.4 | -19.3 | -176.8 | -98.9 | -87.3 | 0 | 0 | 0 | 114.3 | | |
| 106 | H | 46.5 | Very low | 53.4 | Low | 121 Ų | 121 | 115.4 Ų | 115.4 | 56% | 0.56 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -88.5 | -32.9 | 179.8 | -154.1 | 53.6 | 0 | 0 | 0 | 112.9 | R108 K109 Q110 | H106-R108 PolarHBondContact O-N 3.28Å; H106-K109 PolarHBondContact O-N 2.77Å; H106-Q110 PolarHBondContact O-N 3.02Å |
| 107 | L | 49.4 | Very low | 55 | Low | 86 Ų | 86 | 118 Ų | 118 | 45% | 0.45 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.7 | -30.2 | 177 | -70.8 | 169.5 | 0 | 0 | 0 | 112.9 | Q103 K109 N111 | Q103-L107 HydrophobicContact CG-CD1 3.88Å; Q103-L107 WeakPolarHBondContact O-CD1 3.36Å; L107-K109 PolarHBondContact O-N 3.3Å; L107-N111 PolarHBondContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.05Å; L107-N111 VanDerWaalsContact O-ND2 3.07Å |
| 108 | R | 48.4 | Very low | 56.2 | Low | 166 Ų | 166 | 115.4 Ų | 115.4 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -39.9 | 177.4 | -167.1 | -177.4 | -65.5 | -159.2 | 0.8 | 112.3 | H106 V112 | H106-R108 PolarHBondContact O-N 3.28Å; R108-V112 PolarHBondContact O-N 3.1Å |
| 109 | K | 49.7 | Very low | 57.2 | Low | 150 Ų | 150 | 114 Ų | 114 | 65% | 0.652 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.5 | -36.2 | -178.4 | -66.6 | -175 | 179 | -176.6 | 0 | 112.2 | H106 L107 V112 L113 | H106-K109 PolarHBondContact O-N 2.77Å; L107-K109 PolarHBondContact O-N 3.3Å; K109-V112 PolarHBondContact O-N 3Å; K109-L113 PolarHBondContact O-N 3.19Å |
| 110 | Q | 52.8 | Low | 58.3 | Low | 108 Ų | 108 | 114.7 Ų | 114.7 | 51% | 0.505 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -36.9 | 177.2 | -71.6 | -173.3 | -5.6 | 0 | 0 | 112.6 | H106 V112 L113 L114 | H106-Q110 PolarHBondContact O-N 3.02Å; Q110-V112 PolarHBondContact O-N 2.91Å; Q110-L113 PolarHBondContact O-N 3.35Å; Q110-L114 PolarHBondContact O-N 3.11Å |
| 111 | N | 55.2 | Low | 59.3 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -35.8 | 178.5 | -72.1 | -33.9 | 0 | 0 | 0 | 113.1 | L107 A115 | L107-N111 PolarHBondContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.05Å; L107-N111 VanDerWaalsContact O-ND2 3.07Å; N111-A115 WeakPolarHBondContact O-CB 3.46Å; N111-A115 PolarHBondContact O-N 3.11Å |
| 112 | V | 63.5 | Low | 60.5 | Low | 90 Ų | 90 | 109.8 Ų | 109.8 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.9 | -41.8 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | R108 K109 Q110 A115 C116 | R108-V112 PolarHBondContact O-N 3.1Å; K109-V112 PolarHBondContact O-N 3Å; Q110-V112 PolarHBondContact O-N 2.91Å; V112-A115 PolarHBondContact O-N 2.79Å; V112-C116 PolarHBondContact O-N 3.39Å; V112-C116 PolarHBondContact O-SG 3.15Å |
| 113 | L | 66.5 | Low | 60.9 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.6 | -43.3 | 177.6 | -117.7 | 152.3 | 0 | 0 | 0 | 111.9 | K109 Q110 F117 | K109-L113 PolarHBondContact O-N 3.19Å; Q110-L113 PolarHBondContact O-N 3.35Å; L113-F117 PolarHBondContact O-N 3.27Å; L113-F117 VanDerWaalsContact O-N 3.13Å |
| 114 | L | 70.1 | Confident | 61.1 | Low | 108 Ų | 108 | 115.9 Ų | 115.9 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.4 | -40.7 | 176.5 | -164.2 | 75.8 | 0 | 0 | 0 | 112 | Q110 F117 L118 | Q110-L114 PolarHBondContact O-N 3.11Å; L114-F117 PolarHBondContact O-N 2.79Å; L114-L118 HydrophobicContact CG-CD1 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.49Å |
| 115 | A | 68.5 | Low | 61.6 | Low | 57 Ų | 57 | 117.7 Ų | 117.7 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N111 V112 F117 L118 H119 | N111-A115 WeakPolarHBondContact O-CB 3.46Å; N111-A115 PolarHBondContact O-N 3.11Å; V112-A115 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.18Å; A115-H119 WeakPolarHBondContact O-CB 3.42Å; A115-H119 PolarHBondContact O-N 2.69Å |
| 116 | C | 70.8 | Confident | 61.7 | Low | 74 Ų | 74 | 119.5 Ų | 119.5 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 174.9 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | V112 S120 | V112-C116 PolarHBondContact O-N 3.39Å; V112-C116 PolarHBondContact O-SG 3.15Å; C116-S120 PolarHBondContact O-N 2.89Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.05Å; C116-S120 VanDerWaalsContact O-OG 3.05Å |
| 117 | F | 77.9 | Confident | 62.4 | Low | 153 Ų | 153 | 119.5 Ų | 119.5 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -45 | 178 | -171.2 | -97.3 | 0 | 0 | 0 | 112.2 | L113 L114 A115 S120 A121 | L113-F117 PolarHBondContact O-N 3.27Å; L113-F117 VanDerWaalsContact O-N 3.13Å; L114-F117 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.08Å; F117-S120 PolarHBondContact O-N 2.75Å; F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.24Å |
| 118 | L | 74.8 | Confident | 63.1 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.2 | -40.5 | 178 | -70.6 | 172.4 | 0 | 0 | 0 | 112.1 | L114 A115 S120 A121 V122 | L114-L118 HydrophobicContact CG-CD1 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.49Å; A115-L118 PolarHBondContact O-N 3.18Å; L118-S120 PolarHBondContact O-N 2.96Å; L118-A121 PolarHBondContact O-N 3.1Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.95Å |
| 119 | H | 70.1 | Confident | 63.9 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 177.1 | -175.8 | -134.5 | 0 | 0 | 0 | 111.8 | A115 V122 N123 | A115-H119 WeakPolarHBondContact O-CB 3.42Å; A115-H119 PolarHBondContact O-N 2.69Å; H119-V122 PolarHBondContact O-N 3.03Å; H119-N123 PolarHBondContact CD2-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 2.89Å; H119-N123 PolarHBondContact O-N 3.43Å; H119-N123 PolarHBondContact O-ND2 3.24Å |
| 120 | S | 69.6 | Low | 64.8 | Low | 80 Ų | 80 | 116.9 Ų | 116.9 | 56% | 0.559 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.2 | -38.1 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | C116 F117 L118 W124 | C116-S120 PolarHBondContact O-N 2.89Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.05Å; C116-S120 VanDerWaalsContact O-OG 3.05Å; F117-S120 PolarHBondContact O-N 2.75Å; L118-S120 PolarHBondContact O-N 2.96Å; S120-W124 PolarHBondContact O-N 3Å |
| 121 | A | 70.9 | Confident | 65.5 | Low | 56 Ų | 56 | 117.4 Ų | 117.4 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.9 | -34.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F117 L118 | F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.24Å; L118-A121 PolarHBondContact O-N 3.1Å |
| 122 | V | 71.5 | Confident | 66.2 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.1 | -43.1 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L118 H119 W124 K125 | L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.95Å; H119-V122 PolarHBondContact O-N 3.03Å; V122-W124 VanDerWaalsContact C-N 3.28Å; V122-W124 PolarHBondContact O-N 2.84Å; V122-K125 PolarHBondContact O-N 3.22Å |
| 123 | N | 59.1 | Low | 66.4 | Low | 87 Ų | 87 | 120.1 Ų | 120.1 | 47% | 0.465 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70 | -22.1 | -179.6 | -75 | -68.8 | 0 | 0 | 0 | 113.7 | H119 K125 T126 | H119-N123 PolarHBondContact CD2-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 2.89Å; H119-N123 PolarHBondContact O-N 3.43Å; H119-N123 PolarHBondContact O-ND2 3.24Å; N123-K125 PolarHBondContact O-N 3.38Å; N123-T126 PolarHBondContact O-OG1 3.19Å |
| 124 | W | 56.2 | Low | 66.4 | Low | 234 Ų | 234 | 119.2 Ų | 119.2 | 89% | 0.886 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -16.5 | 176.8 | -176.5 | -93.9 | 0 | 0 | 0 | 113.5 | S120 V122 | S120-W124 PolarHBondContact O-N 3Å; V122-W124 VanDerWaalsContact C-N 3.28Å; V122-W124 PolarHBondContact O-N 2.84Å |
| 125 | K | 53.7 | Low | 66.1 | Low | 193 Ų | 193 | 120.2 Ų | 120.2 | 84% | 0.839 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 8 | -170.9 | -160.2 | 158.3 | 179.6 | 168.5 | 0 | 114.7 | V122 N123 | V122-K125 PolarHBondContact O-N 3.22Å; N123-K125 PolarHBondContact O-N 3.38Å |
| 126 | T | 50 | Low | 65.9 | Low | 177 Ų | 177 | 125.9 Ų | 125.9 | 100% | 1.086 | 66% | 0.656 | S | S | * | * | | | trans | -108.7 | 0 | 169.7 | 31.6 | 0 | 0 | 0 | 0 | 110.2 | N123 | N123-T126 PolarHBondContact O-OG1 3.19Š|