| 1 | M | 42.4 | Very low | 61.8 | Low | 243 Ų | 243 | 136.6 Ų | 136.6 | 100% | 1.197 | 84% | 0.838 | S | S | * | * | | | | 0 | 98.5 | 0 | -75.5 | -173.4 | 167.9 | 0 | 0 | 108.3 | | |
| 2 | S | 54.1 | Low | 62.2 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | -159.1 | 97.2 | 168.1 | -61.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 3 | N | 55.3 | Low | 62.2 | Low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | | | trans | -119.7 | 99.2 | 167 | -81.2 | -0.4 | 0 | 0 | 0 | 107.7 | G5 | N3-G5 PolarHBondContact O-N 3.35Š|
| 4 | S | 65.7 | Low | 62.2 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | -73.7 | 107.5 | 165.6 | 56.1 | 0 | 0 | 0 | 0 | 108.3 | S6 | S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 VanDerWaalsContact O-N 3.11Å |
| 5 | G | 59 | Low | 62.7 | Low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -71.1 | 99.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N3 K7 | N3-G5 PolarHBondContact O-N 3.35Å; G5-K7 PolarHBondContact O-N 3.02Å |
| 6 | S | 70.2 | Confident | 63.1 | Low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125 | 164.7 | 48.5 | 0 | 0 | 0 | 0 | 109 | S4 | S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 VanDerWaalsContact O-N 3.11Å |
| 7 | K | 69.1 | Low | 62.9 | Low | 191 Ų | 191 | 139.8 Ų | 139.8 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 136.9 | 173.1 | -85.3 | 178.4 | 174.6 | 177.2 | 0 | 109.6 | G5 T9 | G5-K7 PolarHBondContact O-N 3.02Å; K7-T9 PolarHBondContact O-N 3.31Å |
| 8 | P | 63.3 | Low | 62.5 | Low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.5 | 170.3 | 24.5 | -30.6 | 0 | 0 | 0 | 108.9 | S10 | P8-S10 PolarHBondContact O-N 3.01Š|
| 9 | T | 62.3 | Low | 62.6 | Low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.4 | 170.8 | 42.2 | 0 | 0 | 0 | 0 | 108.8 | K7 V11 | K7-T9 PolarHBondContact O-N 3.31Å; T9-V11 PolarHBondContact O-N 3.06Å |
| 10 | S | 69.3 | Low | 62.5 | Low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -66.2 | 112 | 173.2 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | P8 N12 | P8-S10 PolarHBondContact O-N 3.01Å; S10-N12 PolarHBondContact O-N 3.44Å |
| 11 | V | 69.1 | Low | 62.6 | Low | 108 Ų | 108 | 142.2 Ų | 142.2 | 66% | 0.655 | 80% | 0.802 | S | S | * | * | | | trans | -75 | 114 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | T9 Y13 | T9-V11 PolarHBondContact O-N 3.06Å; V11-Y13 HydrophobicContact CG1-CE2 4.36Å; V11-Y13 PolarHBondContact O-N 3.46Å |
| 12 | N | 66.9 | Low | 63.9 | Low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 112.1 | 167.3 | -89.3 | -21.3 | 0 | 0 | 0 | 108.6 | S10 | S10-N12 PolarHBondContact O-N 3.44Š|
| 13 | Y | 61.7 | Low | 64 | Low | 202 Ų | 202 | 139 Ų | 139 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -74.7 | 127.4 | 167.6 | -77.2 | -89.9 | 0 | 0 | 0 | 109 | V11 S15 | V11-Y13 HydrophobicContact CG1-CE2 4.36Å; V11-Y13 PolarHBondContact O-N 3.46Å; Y13-S15 PolarHBondContact O-N 3.03Å |
| 14 | P | 63 | Low | 64.4 | Low | 100 Ų | 100 | 141.1 Ų | 141.1 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | -63.1 | 119.8 | 174.1 | 25.1 | -31.2 | 0 | 0 | 0 | 109.2 | N16 | P14-N16 PolarHBondContact O-N 2.88Å; P14-N16 VanDerWaalsContact O-N 3.11Å |
| 15 | S | 68.8 | Low | 64 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -3.4 | -170.3 | 66.9 | 0 | 0 | 0 | 0 | 115.4 | Y13 | Y13-S15 PolarHBondContact O-N 3.03Š|
| 16 | N | 68.8 | Low | 63.7 | Low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 33.2 | -164.5 | -73.7 | 12.4 | 0 | 0 | 0 | 114.5 | P14 | P14-N16 PolarHBondContact O-N 2.88Å; P14-N16 VanDerWaalsContact O-N 3.11Å |
| 17 | Q | 60.4 | Low | 63.1 | Low | 160 Ų | 160 | 144.6 Ų | 144.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -112.9 | 122.9 | 164.5 | -73.1 | -163.6 | 15.4 | 0 | 0 | 110.3 | | |
| 18 | E | 55.8 | Low | 62.1 | Low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -58.9 | 143.9 | 172.8 | -67.1 | -146.5 | 149.6 | 0 | 0 | 110.3 | V20 | E18-V20 PolarHBondContact O-N 2.97Š|
| 19 | P | 65 | Low | 61.5 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | -59 | 110 | -179.3 | 23.1 | -31.6 | 0 | 0 | 0 | 109.6 | Y21 | P19-Y21 PolarHBondContact O-N 2.78Š|
| 20 | V | 60.4 | Low | 61 | Low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | | | trans | -64.9 | 103.8 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | E18 L22 | E18-V20 PolarHBondContact O-N 2.97Å; V20-L22 PolarHBondContact O-N 3.31Å |
| 21 | Y | 63.8 | Low | 60.3 | Low | 205 Ų | 205 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 99.4 | 165.5 | -92.2 | -95 | 0 | 0 | 0 | 107.8 | P19 N23 | P19-Y21 PolarHBondContact O-N 2.78Å; Y21-N23 PolarHBondContact O-N 2.96Å; Y21-N23 VanDerWaalsContact O-N 3.08Å |
| 22 | L | 69 | Low | 59.5 | Low | 143 Ų | 143 | 143.6 Ų | 143.6 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -64.6 | 105.9 | 167.9 | -90.8 | 148.1 | 0 | 0 | 0 | 108.2 | V20 R24 | V20-L22 PolarHBondContact O-N 3.31Å; L22-R24 PolarHBondContact O-N 3.12Å |
| 23 | N | 58 | Low | 59.1 | Low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -60.8 | 87.9 | 158.2 | -67 | -36 | 0 | 0 | 0 | 107.5 | Y21 D25 | Y21-N23 PolarHBondContact O-N 2.96Å; Y21-N23 VanDerWaalsContact O-N 3.08Å; N23-D25 PolarHBondContact O-N 2.87Å |
| 24 | R | 62.8 | Low | 59.1 | Low | 213 Ų | 213 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -83 | 100 | 166.2 | -92.4 | -171.5 | 166.1 | 175 | -2.4 | 107 | L22 C26 | L22-R24 PolarHBondContact O-N 3.12Å; R24-C26 PolarHBondContact O-N 3.35Å |
| 25 | D | 58 | Low | 59.2 | Low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -55.1 | 106.2 | 162.9 | -66.8 | -40.2 | 0 | 0 | 0 | 108.3 | N23 S27 | N23-D25 PolarHBondContact O-N 2.87Å; D25-S27 PolarHBondContact O-N 3.47Å |
| 26 | C | 52.1 | Low | 59.6 | Low | 131 Ų | 131 | 136.6 Ų | 136.6 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | | | trans | -76.6 | 62.9 | 174.1 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | R24 | R24-C26 PolarHBondContact O-N 3.35Š|
| 27 | S | 58 | Low | 59.9 | Low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -92 | 103.2 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | D25 | D25-S27 PolarHBondContact O-N 3.47Š|
| 28 | G | 48.3 | Very low | 60.8 | Low | 60 Ų | 60 | 139.8 Ų | 139.8 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | | | trans | 31.2 | 110 | 153 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 29 | N | 50.5 | Low | 61.9 | Low | 165 Ų | 165 | 135.6 Ų | 135.6 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | | | trans | -135.6 | 77.5 | 145.8 | -166.9 | 16.9 | 0 | 0 | 0 | 108.6 | G31 | N29-G31 PolarHBondContact O-N 3.3Š|
| 30 | D | 51.8 | Low | 62.6 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | | | trans | -74.7 | 112.2 | 177.3 | -44 | -32.4 | 0 | 0 | 0 | 107.6 | | |
| 31 | G | 54.1 | Low | 63.5 | Low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 161.6 | -18.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 121 | N29 | N29-G31 PolarHBondContact O-N 3.3Š|
| 32 | Q | 53.3 | Low | 64.3 | Low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | | | trans | -144.1 | 26.8 | -167.9 | -74.8 | -165 | 12.5 | 0 | 0 | 118.4 | A34 | Q32-A34 PolarHBondContact O-N 3.23Š|
| 33 | S | 57.7 | Low | 64.8 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | | | trans | -85.9 | 30.7 | 167.8 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | I35 | S33-I35 PolarHBondContact O-N 3.11Å; S33-I35 VanDerWaalsContact O-N 3.14Å |
| 34 | A | 61.6 | Low | 65.8 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | | | trans | -75.6 | 101.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q32 D36 | Q32-A34 PolarHBondContact O-N 3.23Å; A34-D36 PolarHBondContact O-N 3.21Å |
| 35 | I | 66.1 | Low | 66.5 | Low | 125 Ų | 125 | 119.3 Ų | 119.3 | 64% | 0.641 | 68% | 0.677 | S | S | * | * | | | trans | -50.9 | 116.5 | 170.4 | -66.6 | 172.4 | 0 | 0 | 0 | 107.8 | S33 K37 I40 | S33-I35 PolarHBondContact O-N 3.11Å; S33-I35 VanDerWaalsContact O-N 3.14Å; I35-K37 PolarHBondContact O-N 3.37Å; I35-I40 HydrophobicContact CB-CD1 4.38Å; I35-I40 HydrophobicContact CG2-CD1 3.75Å; I35-I40 HydrophobicContact CG2-CG1 3.53Å |
| 36 | D | 75.7 | Confident | 67.4 | Low | 73 Ų | 73 | 115.3 Ų | 115.3 | 39% | 0.39 | 66% | 0.664 | S | S | . | * | | | trans | -56.1 | 129.8 | 179.9 | -177 | 5.4 | 0 | 0 | 0 | 109.6 | A34 R38 T39 I40 | A34-D36 PolarHBondContact O-N 3.21Å; D36-R38 PolarHBondContact O-N 3.46Å; D36-R38 PolarHBondContact OD1-N 3.47Å; D36-R38 VanDerWaalsContact OD1-N 3.12Å; D36-R38 IonicContact OD1-NE 3.46Å; D36-R38 WeakPolarHBondContact OD2-CB 3.39Å; D36-R38 WeakPolarHBondContact OD2-CD 3.5Å; D36-R38 IonicContact OD2-NE 3.89Å; D36-R38 PolarHBondContact OD2-NE 3.18Å; D36-T39 WeakPolarHBondContact O-CB 3.48Å; D36-T39 PolarHBondContact O-N 3.43Å; D36-I40 PolarHBondContact O-N 3.36Å |
| 37 | K | 75.6 | Confident | 68.3 | Low | 177 Ų | 177 | 114.3 Ų | 114.3 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -55.4 | -26.5 | 176.6 | -69.5 | -179.6 | 179.3 | 177.9 | 0 | 111.4 | I35 K41 | I35-K37 PolarHBondContact O-N 3.37Å; K37-K41 WeakPolarHBondContact O-CB 3.45Å; K37-K41 PolarHBondContact O-N 3.25Å |
| 38 | R | 79.6 | Confident | 68.7 | Low | 198 Ų | 198 | 111.4 Ų | 111.4 | 75% | 0.747 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66 | -43.2 | 173.7 | -58 | 179 | -139.8 | -170.6 | 2.2 | 112.2 | D36 I40 K41 A42 | D36-R38 PolarHBondContact O-N 3.46Å; D36-R38 PolarHBondContact OD1-N 3.47Å; D36-R38 VanDerWaalsContact OD1-N 3.12Å; D36-R38 IonicContact OD1-NE 3.46Å; D36-R38 WeakPolarHBondContact OD2-CB 3.39Å; D36-R38 WeakPolarHBondContact OD2-CD 3.5Å; D36-R38 IonicContact OD2-NE 3.89Å; D36-R38 PolarHBondContact OD2-NE 3.18Å; R38-I40 VanDerWaalsContact C-N 3.33Å; R38-I40 PolarHBondContact O-N 3.36Å; R38-K41 PolarHBondContact O-N 3.18Å; R38-A42 WeakPolarHBondContact O-CB 3.46Å; R38-A42 PolarHBondContact O-N 2.96Å |
| 39 | T | 78.6 | Confident | 69.2 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.1 | -42.1 | 177.8 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | D36 A42 C43 | D36-T39 WeakPolarHBondContact O-CB 3.48Å; D36-T39 PolarHBondContact O-N 3.43Å; T39-A42 PolarHBondContact O-N 3.17Å; T39-C43 WeakPolarHBondContact O-CB 3.2Å; T39-C43 PolarHBondContact O-N 3.45Å |
| 40 | I | 78.9 | Confident | 69.6 | Low | 75 Ų | 75 | 112 Ų | 112 | 39% | 0.385 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.6 | -48.2 | 175.7 | -65.5 | 169.2 | 0 | 0 | 0 | 110.7 | I35 D36 R38 A42 C43 F44 | I35-I40 HydrophobicContact CB-CD1 4.38Å; I35-I40 HydrophobicContact CG2-CD1 3.75Å; I35-I40 HydrophobicContact CG2-CG1 3.53Å; D36-I40 PolarHBondContact O-N 3.36Å; R38-I40 VanDerWaalsContact C-N 3.33Å; R38-I40 PolarHBondContact O-N 3.36Å; I40-A42 PolarHBondContact O-N 3.32Å; I40-C43 WeakPolarHBondContact O-CB 3.42Å; I40-C43 PolarHBondContact O-N 2.99Å; I40-F44 HydrophobicContact CG2-CD2 3.57Å; I40-F44 HydrophobicContact CG2-CE2 3.37Å; I40-F44 WeakPolarHBondContact O-CD2 3.35Å; I40-F44 PolarHBondContact O-N 3.11Å |
| 41 | K | 79.8 | Confident | 69.8 | Low | 135 Ų | 135 | 113.2 Ų | 113.2 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62 | -42.2 | 179.5 | -172.4 | 176.9 | -179.4 | -179.3 | 0 | 112.3 | K37 R38 C43 F44 Q45 | K37-K41 WeakPolarHBondContact O-CB 3.45Å; K37-K41 PolarHBondContact O-N 3.25Å; R38-K41 PolarHBondContact O-N 3.18Å; K41-C43 VanDerWaalsContact C-N 3.35Å; K41-F44 PolarHBondContact O-N 3.39Å; K41-Q45 WeakPolarHBondContact O-CG 3.38Å; K41-Q45 PolarHBondContact O-N 2.92Å |
| 42 | A | 80.6 | Confident | 70 | Confident | 57 Ų | 57 | 113.4 Ų | 113.4 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 T39 I40 Q45 A46 | R38-A42 WeakPolarHBondContact O-CB 3.46Å; R38-A42 PolarHBondContact O-N 2.96Å; T39-A42 PolarHBondContact O-N 3.17Å; I40-A42 PolarHBondContact O-N 3.32Å; A42-Q45 PolarHBondContact O-N 3.46Å; A42-A46 PolarHBondContact O-N 2.99Å |
| 43 | C | 80.6 | Confident | 70.1 | Confident | 74 Ų | 74 | 111.4 Ų | 111.4 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 177.1 | -158 | 0 | 0 | 0 | 0 | 111.8 | T39 I40 K41 Q45 A46 M47 | T39-C43 WeakPolarHBondContact O-CB 3.2Å; T39-C43 PolarHBondContact O-N 3.45Å; I40-C43 WeakPolarHBondContact O-CB 3.42Å; I40-C43 PolarHBondContact O-N 2.99Å; K41-C43 VanDerWaalsContact C-N 3.35Å; C43-Q45 PolarHBondContact O-N 3.47Å; C43-A46 PolarHBondContact O-N 3.42Å; C43-M47 WeakPolarHBondContact O-CG 3.42Å; C43-M47 PolarHBondContact O-N 3.24Å; C43-M47 VanDerWaalsContact O-N 3.11Å |
| 44 | F | 78.4 | Confident | 70 | Confident | 139 Ų | 139 | 110.1 Ų | 110.1 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.8 | -36.1 | 174.7 | -78.6 | -65.4 | 0 | 0 | 0 | 113.3 | I40 K41 M47 G48 | I40-F44 HydrophobicContact CG2-CD2 3.57Å; I40-F44 HydrophobicContact CG2-CE2 3.37Å; I40-F44 WeakPolarHBondContact O-CD2 3.35Å; I40-F44 PolarHBondContact O-N 3.11Å; K41-F44 PolarHBondContact O-N 3.39Å; F44-M47 HydrophobicContact CD1-CE 3.66Å; F44-M47 HydrophobicContact CE1-CE 4.01Å; F44-M47 HydrophobicContact CG-CE 4.3Å; F44-G48 PolarHBondContact O-N 3.11Å |
| 45 | Q | 78.5 | Confident | 69.7 | Low | 118 Ų | 118 | 114.5 Ų | 114.5 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.6 | -39.9 | 175.6 | -76 | 178.5 | -2.3 | 0 | 0 | 112.2 | K41 A42 C43 G48 N49 | K41-Q45 WeakPolarHBondContact O-CG 3.38Å; K41-Q45 PolarHBondContact O-N 2.92Å; A42-Q45 PolarHBondContact O-N 3.46Å; C43-Q45 PolarHBondContact O-N 3.47Å; Q45-G48 PolarHBondContact O-N 3.29Å; Q45-N49 PolarHBondContact O-N 3.19Å |
| 46 | A | 75.2 | Confident | 69.2 | Low | 63 Ų | 63 | 113.8 Ų | 113.8 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.2 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A42 C43 G48 N49 | A42-A46 PolarHBondContact O-N 2.99Å; C43-A46 PolarHBondContact O-N 3.42Å; A46-G48 VanDerWaalsContact C-N 3.34Å; A46-G48 PolarHBondContact O-N 2.99Å; A46-N49 PolarHBondContact O-N 3Å |
| 47 | M | 71.1 | Confident | 68.4 | Low | 109 Ų | 109 | 113.6 Ų | 113.6 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -29.7 | 176.9 | -67.3 | -174 | -69 | 0 | 0 | 113.6 | C43 F44 | C43-M47 WeakPolarHBondContact O-CG 3.42Å; C43-M47 PolarHBondContact O-N 3.24Å; C43-M47 VanDerWaalsContact O-N 3.11Å; F44-M47 HydrophobicContact CD1-CE 3.66Å; F44-M47 HydrophobicContact CE1-CE 4.01Å; F44-M47 HydrophobicContact CG-CE 4.3Å |
| 48 | G | 66.2 | Low | 67.6 | Low | 46 Ų | 46 | 113.9 Ų | 113.9 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.2 | -28.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | F44 Q45 A46 D50 K51 | F44-G48 PolarHBondContact O-N 3.11Å; Q45-G48 PolarHBondContact O-N 3.29Å; A46-G48 VanDerWaalsContact C-N 3.34Å; A46-G48 PolarHBondContact O-N 2.99Å; G48-D50 VanDerWaalsContact C-N 3.32Å; G48-D50 PolarHBondContact O-N 3.3Å; G48-K51 PolarHBondContact O-N 3.49Å |
| 49 | N | 58.7 | Low | 66.6 | Low | 122 Ų | 122 | 107 Ų | 107 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.7 | -18.1 | -179.2 | -98.5 | 6.7 | 0 | 0 | 0 | 114 | Q45 A46 K51 A52 | Q45-N49 PolarHBondContact O-N 3.19Å; A46-N49 PolarHBondContact O-N 3Å; N49-K51 PolarHBondContact O-N 3.44Å; N49-A52 PolarHBondContact O-N 2.91Å |
| 50 | D | 58.8 | Low | 65.9 | Low | 116 Ų | 116 | 112 Ų | 112 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -19.5 | 175.4 | -75.6 | -22.9 | 0 | 0 | 0 | 112.9 | G48 | G48-D50 VanDerWaalsContact C-N 3.32Å; G48-D50 PolarHBondContact O-N 3.3Å |
| 51 | K | 56.5 | Low | 65 | Low | 182 Ų | 182 | 115.1 Ų | 115.1 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -19 | 174.8 | -75.8 | -168.6 | 176.7 | -176.1 | 0 | 114.1 | G48 N49 | G48-K51 PolarHBondContact O-N 3.49Å; N49-K51 PolarHBondContact O-N 3.44Å |
| 52 | A | 58.4 | Low | 64.5 | Low | 74 Ų | 74 | 118.1 Ų | 118.1 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -28.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | N49 | N49-A52 PolarHBondContact O-N 2.91Š|
| 53 | N | 55.9 | Low | 64.1 | Low | 149 Ų | 149 | 123.5 Ų | 123.5 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -98.4 | 0.7 | -176.4 | -155.5 | 13.4 | 0 | 0 | 0 | 114.1 | | |
| 54 | N | 55.4 | Low | 63.6 | Low | 101 Ų | 101 | 125.3 Ų | 125.3 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | | | trans | -101.7 | 18 | 179.4 | -124.9 | -27.3 | 0 | 0 | 0 | 114.2 | S56 | N54-S56 PolarHBondContact O-N 3.05Š|
| 55 | K | 54.7 | Low | 63.4 | Low | 183 Ų | 183 | 123.4 Ų | 123.4 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -2.6 | 173.9 | -74.8 | -167.5 | 176.6 | -178.1 | 0 | 114.4 | | |
| 56 | S | 56 | Low | 63.3 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -3.8 | -177.1 | -171.2 | 0 | 0 | 0 | 0 | 114.7 | N54 | N54-S56 PolarHBondContact O-N 3.05Š|
| 57 | A | 59.3 | Low | 63.3 | Low | 70 Ų | 70 | 130.5 Ų | 130.5 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -18.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G59 | A57-G59 PolarHBondContact O-N 3.24Å; A57-G59 VanDerWaalsContact O-N 3.12Å |
| 58 | E | 58 | Low | 63.5 | Low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 3 | 178.4 | -68 | -172 | 142.2 | 0 | 0 | 114.1 | | |
| 59 | G | 59.2 | Low | 63.7 | Low | 53 Ų | 53 | 135.8 Ų | 135.8 | 55% | 0.546 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107 | 10.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 118 | A57 | A57-G59 PolarHBondContact O-N 3.24Å; A57-G59 VanDerWaalsContact O-N 3.12Å |
| 60 | K | 63 | Low | 64.3 | Low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -127.4 | 11.6 | -172.3 | -67.7 | -167.2 | -175.5 | 179.2 | 0 | 118.2 | K62 | K60-K62 PolarHBondContact O-N 2.92Š|
| 61 | L | 60.7 | Low | 65 | Low | 141 Ų | 141 | 142.5 Ų | 142.5 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | trans | -92.3 | 71.8 | 157.6 | -102.7 | 99.1 | 0 | 0 | 0 | 110.5 | K63 | L61-K63 PolarHBondContact O-N 3.46Š|
| 62 | K | 69.3 | Low | 65.9 | Low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | trans | -70.5 | -10.5 | 172.1 | -71.3 | -171.2 | 176.6 | -175.2 | 0 | 113.4 | K60 | K60-K62 PolarHBondContact O-N 2.92Š|
| 63 | K | 71.7 | Confident | 66.2 | Low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -134.8 | 134.4 | 177 | -64.4 | -179.8 | -178.4 | 177.9 | 0 | 106.7 | L61 | L61-K63 PolarHBondContact O-N 3.46Š|
| 64 | P | 70.6 | Confident | 66.2 | Low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | -51.9 | 142.1 | 166.5 | 24 | -31.9 | 0 | 0 | 0 | 107.7 | R66 | P64-R66 PolarHBondContact O-N 3.32Š|
| 65 | P | 74.4 | Confident | 66.5 | Low | 99 Ų | 99 | 144 Ų | 144 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | trans | -52.3 | 139.2 | 172.2 | 25.7 | -31.8 | 0 | 0 | 0 | 106.9 | A67 | P65-A67 PolarHBondContact O-N 3.01Š|
| 66 | R | 77 | Confident | 66.7 | Low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | | | trans | -51 | 108.7 | 176.3 | -107 | -175.6 | 156.2 | -169.3 | -4.6 | 106.9 | P64 L68 | P64-R66 PolarHBondContact O-N 3.32Å; R66-L68 PolarHBondContact O-N 3.06Å |
| 67 | A | 74.8 | Confident | 67.1 | Low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | -57.6 | 113.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | P65 V69 | P65-A67 PolarHBondContact O-N 3.01Å; A67-V69 PolarHBondContact O-N 3.12Å |
| 68 | L | 75.3 | Confident | 67.3 | Low | 146 Ų | 146 | 143.7 Ų | 143.7 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | -69.1 | 92.3 | 172.3 | -66.5 | 177 | 0 | 0 | 0 | 106.1 | R66 F70 | R66-L68 PolarHBondContact O-N 3.06Å; L68-F70 PolarHBondContact O-N 2.96Å |
| 69 | V | 69.7 | Low | 67.4 | Low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -69.2 | 101.9 | 169.6 | -179 | 0 | 0 | 0 | 0 | 106.1 | A67 K71 | A67-V69 PolarHBondContact O-N 3.12Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 2.99Å |
| 70 | F | 72.6 | Confident | 67.4 | Low | 191 Ų | 191 | 144.7 Ų | 144.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -60.3 | 99.2 | 167.2 | -64.9 | -79.8 | 0 | 0 | 0 | 107.7 | L68 K72 | L68-F70 PolarHBondContact O-N 2.96Å; F70-K72 PolarHBondContact O-N 3.14Å |
| 71 | K | 73.1 | Confident | 67.4 | Low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | | | trans | -66.5 | 101 | 168.3 | -73.5 | -177 | -179.8 | 177.4 | 0 | 106.9 | V69 Q73 | V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 2.99Å; K71-Q73 PolarHBondContact O-N 3.22Å |
| 72 | K | 74.4 | Confident | 67.6 | Low | 188 Ų | 188 | 142.6 Ų | 142.6 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -61.6 | 105.6 | 167.8 | -169.7 | 178.2 | -177.8 | 179.3 | 0 | 107.3 | F70 V74 | F70-K72 PolarHBondContact O-N 3.14Å; K72-V74 HydrophobicContact CG-CG2 4.47Å; K72-V74 PolarHBondContact O-N 3.08Å |
| 73 | Q | 65.2 | Low | 67.3 | Low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -71.3 | 122 | 166.4 | -73.7 | -178 | 22.1 | 0 | 0 | 107.3 | K71 | K71-Q73 PolarHBondContact O-N 3.22Š|
| 74 | V | 56.9 | Low | 67.6 | Low | 103 Ų | 103 | 142.8 Ų | 142.8 | 62% | 0.624 | 77% | 0.765 | S | S | * | * | | | trans | -107.5 | 116.3 | 167 | -155.3 | 0 | 0 | 0 | 0 | 105.6 | K72 I76 | K72-V74 HydrophobicContact CG-CG2 4.47Å; K72-V74 PolarHBondContact O-N 3.08Å; V74-I76 PolarHBondContact O-N 2.84Å |
| 75 | A | 60.3 | Low | 67.3 | Low | 82 Ų | 82 | 152.5 Ų | 152.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -75.8 | 119.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 76 | I | 59.3 | Low | 67 | Low | 121 Ų | 121 | 155.2 Ų | 155.2 | 62% | 0.621 | 80% | 0.795 | S | S | * | * | B | Isolated β-bridge | trans | -110 | 116.1 | 170.4 | -56.6 | 174.1 | 0 | 0 | 0 | 105.8 | V74 G78 Q79 | V74-I76 PolarHBondContact O-N 2.84Å; I76-G78 PolarHBondContact O-N 3.37Å; I76-Q79 PolarHBondContact O-N 2.95Å |
| 77 | N | 65 | Low | 66.4 | Low | 162 Ų | 162 | 150.5 Ų | 150.5 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.7 | 37 | 176.9 | -62 | -10.5 | 0 | 0 | 0 | 115.3 | Q79 | N77-Q79 VanDerWaalsContact C-N 3.3Å; N77-Q79 PolarHBondContact O-N 3.39Å |
| 78 | G | 62.1 | Low | 66 | Low | 75 Ų | 75 | 154.1 Ų | 154.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.2 | 10.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I76 | I76-G78 PolarHBondContact O-N 3.37Š|
| 79 | Q | 59.9 | Low | 65.4 | Low | 156 Ų | 156 | 154.6 Ų | 154.6 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | B | Isolated β-bridge | trans | -122.2 | 126.3 | 177.7 | -64 | -173.7 | -9.3 | 0 | 0 | 111.5 | I76 N77 K81 | I76-Q79 PolarHBondContact O-N 2.95Å; N77-Q79 VanDerWaalsContact C-N 3.3Å; N77-Q79 PolarHBondContact O-N 3.39Å; Q79-K81 PolarHBondContact O-N 2.95Å |
| 80 | S | 59.7 | Low | 65.2 | Low | 101 Ų | 101 | 156.8 Ų | 156.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -86.3 | 108 | 176.6 | -49.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 81 | K | 63.4 | Low | 64.7 | Low | 188 Ų | 188 | 154.5 Ų | 154.5 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -119.2 | 123.3 | 173.4 | -157.7 | 174.2 | -174.8 | 178.5 | 0 | 110.5 | Q79 | Q79-K81 PolarHBondContact O-N 2.95Š|
| 82 | A | 64 | Low | 64.1 | Low | 102 Ų | 102 | 152.1 Ų | 152.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 83 | V | 65 | Low | 63.3 | Low | 126 Ų | 126 | 149.3 Ų | 149.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 127 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 84 | R | 76.7 | Confident | 63.1 | Low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 121.2 | 168.7 | -58.3 | -178.7 | -164.1 | -177.4 | 4.8 | 107.2 | | |
| 85 | R | 65 | Low | 63.7 | Low | 317 Ų | 317 | 152.2 Ų | 152.2 | 100% | 1.196 | 81% | 0.81 | S | S | * | * | | | trans | -87.7 | 0 | 157.3 | -84.1 | -172.3 | 149.6 | -179.9 | -6.2 | 108.4 | | |