| 1 | M | 40.1 | Very low | 57.7 | Low | 240 Ų | 240 | 166 Ų | 166 | 100% | 1.182 | 85% | 0.85 | S | S | * | * | | | | 0 | 115.2 | 0 | -64.7 | -177.4 | 178.4 | 0 | 0 | 107.2 | | |
| 2 | H | 52.3 | Low | 57.9 | Low | 203 Ų | 203 | 165.4 Ų | 165.4 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | | | trans | -94.5 | 118.5 | 179.8 | -76.6 | 115.8 | 0 | 0 | 0 | 109.2 | L4 | H2-L4 PolarHBondContact O-N 3.34Š|
| 3 | I | 56.5 | Low | 57.5 | Low | 155 Ų | 155 | 163.2 Ų | 163.2 | 80% | 0.795 | 84% | 0.841 | S | S | * | * | | | trans | -80.9 | 108.8 | 177.1 | -60.2 | 169.4 | 0 | 0 | 0 | 107.4 | M5 | I3-M5 PolarHBondContact O-N 3.45Å; I3-M5 VanDerWaalsContact O-N 3.11Å |
| 4 | L | 56.9 | Low | 57.6 | Low | 167 Ų | 167 | 156.1 Ų | 156.1 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -73.2 | 97.4 | 172.2 | -175 | 72.6 | 0 | 0 | 0 | 108.3 | H2 | H2-L4 PolarHBondContact O-N 3.34Š|
| 5 | M | 65.8 | Low | 57.5 | Low | 160 Ų | 160 | 150 Ų | 150 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | -67.5 | 127 | 172.8 | -72.4 | 173.2 | 161.6 | 0 | 0 | 109.5 | I3 K7 | I3-M5 PolarHBondContact O-N 3.45Å; I3-M5 VanDerWaalsContact O-N 3.11Å; M5-K7 PolarHBondContact O-N 3.12Å |
| 6 | P | 61 | Low | 57.2 | Low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -65.2 | 121.9 | 175.9 | 25.1 | -31 | 0 | 0 | 0 | 109.3 | M8 | P6-M8 PolarHBondContact O-N 3.45Å; P6-M8 VanDerWaalsContact C-N 3.35Å |
| 7 | K | 58.8 | Low | 57.1 | Low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -70.2 | 92.2 | 176 | -176.2 | 167.5 | -178.7 | 161.9 | 0 | 108.7 | M5 | M5-K7 PolarHBondContact O-N 3.12Š|
| 8 | M | 60.4 | Low | 57.3 | Low | 159 Ų | 159 | 142.6 Ų | 142.6 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -63.2 | 133.2 | 175.2 | -68.2 | -178.1 | -78 | 0 | 0 | 109.7 | P6 K10 | P6-M8 PolarHBondContact O-N 3.45Å; P6-M8 VanDerWaalsContact C-N 3.35Å; M8-K10 PolarHBondContact O-N 2.91Å |
| 9 | P | 62.4 | Low | 57.3 | Low | 129 Ų | 129 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -60.8 | 121.6 | 176.5 | 22.4 | -29.8 | 0 | 0 | 0 | 109.2 | S11 | P9-S11 PolarHBondContact O-N 3.15Å; P9-S11 VanDerWaalsContact O-N 3.17Å |
| 10 | K | 61.3 | Low | 57.3 | Low | 203 Ų | 203 | 140.4 Ų | 140.4 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -74.1 | 109.4 | -178.3 | -159.1 | 162.1 | -176.1 | 170.2 | 0 | 108.3 | M8 K12 | M8-K10 PolarHBondContact O-N 2.91Å; K10-K12 PolarHBondContact O-N 2.82Å |
| 11 | S | 59.1 | Low | 57.4 | Low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.5 | 171.8 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | P9 | P9-S11 PolarHBondContact O-N 3.15Å; P9-S11 VanDerWaalsContact O-N 3.17Å |
| 12 | K | 59.7 | Low | 58.2 | Low | 159 Ų | 159 | 128.8 Ų | 128.8 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77 | 136 | 177.2 | -69.5 | 178.3 | -178.2 | 174.3 | 0 | 109 | K10 G14 T15 | K10-K12 PolarHBondContact O-N 2.82Å; K12-G14 PolarHBondContact O-N 3.23Å; K12-T15 VanDerWaalsContact O-N 3.16Å; K12-T15 PolarHBondContact O-OG1 2.77Å; K12-T15 PolarHBondContact O-N 2.74Å; K12-T15 WeakPolarHBondContact O-CB 2.91Å |
| 13 | P | 52.8 | Low | 58.4 | Low | 137 Ų | 137 | 120.2 Ų | 120.2 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 131.6 | 173.9 | -21.3 | 30.6 | 0 | 0 | 0 | 110.4 | | |
| 14 | G | 60.1 | Low | 58.3 | Low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.4 | 6.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K12 | K12-G14 PolarHBondContact O-N 3.23Š|
| 15 | T | 55.4 | Low | 58.2 | Low | 64 Ų | 64 | 115.4 Ų | 115.4 | 39% | 0.393 | 68% | 0.681 | S | S | . | * | | | trans | -84.8 | -15.2 | 174.1 | -45.7 | 0 | 0 | 0 | 0 | 113 | K12 G17 | K12-T15 VanDerWaalsContact O-N 3.16Å; K12-T15 PolarHBondContact O-OG1 2.77Å; K12-T15 PolarHBondContact O-N 2.74Å; K12-T15 WeakPolarHBondContact O-CB 2.91Å; T15-G17 PolarHBondContact O-N 3.07Å; T15-G17 VanDerWaalsContact O-N 3.08Å |
| 16 | V | 52.3 | Low | 57.6 | Low | 134 Ų | 134 | 110 Ų | 110 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 109.2 | 177.7 | -82.3 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | G | 56.6 | Low | 57.3 | Low | 44 Ų | 44 | 111.7 Ų | 111.7 | 45% | 0.454 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 116.9 | -12.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T15 D19 M20 | T15-G17 PolarHBondContact O-N 3.07Å; T15-G17 VanDerWaalsContact O-N 3.08Å; G17-D19 PolarHBondContact O-N 3.33Å; G17-M20 WeakPolarHBondContact O-CB 3.31Å; G17-M20 PolarHBondContact O-N 3.22Å |
| 18 | N | 59.7 | Low | 56.9 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23.4 | -177.7 | -72.5 | -31.2 | 0 | 0 | 0 | 113.5 | | |
| 19 | D | 58 | Low | 56.5 | Low | 109 Ų | 109 | 110.5 Ų | 110.5 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 12.9 | 178.5 | 63.8 | -27.2 | 0 | 0 | 0 | 112.2 | G17 A21 G22 A23 | G17-D19 PolarHBondContact O-N 3.33Å; D19-A21 PolarHBondContact O-N 2.97Å; D19-A21 VanDerWaalsContact O-N 3.13Å; D19-G22 PolarHBondContact O-N 2.83Å; D19-A23 PolarHBondContact O-N 2.96Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å |
| 20 | M | 57.2 | Low | 55.9 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -57.8 | -33.9 | -175 | -162.1 | 173.1 | -166 | 0 | 0 | 112.4 | G17 L24 | G17-M20 WeakPolarHBondContact O-CB 3.31Å; G17-M20 PolarHBondContact O-N 3.22Å; M20-L24 VanDerWaalsContact O-CB 3.27Å; M20-L24 WeakPolarHBondContact O-CB 3.22Å; M20-L24 PolarHBondContact O-N 3.04Å |
| 21 | A | 58.4 | Low | 55.4 | Low | 84 Ų | 84 | 108 Ų | 108 | 69% | 0.694 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D19 L24 A25 | D19-A21 PolarHBondContact O-N 2.97Å; D19-A21 VanDerWaalsContact O-N 3.13Å; A21-L24 PolarHBondContact O-N 2.88Å; A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 2.87Å |
| 22 | G | 57.8 | Low | 55.1 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -33.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D19 L24 G26 | D19-G22 PolarHBondContact O-N 2.83Å; G22-L24 VanDerWaalsContact C-N 3.33Å; G22-G26 PolarHBondContact O-N 2.78Å |
| 23 | A | 56.7 | Low | 55 | Low | 23 Ų | 23 | 106.5 Ų | 106.5 | 19% | 0.19 | 65% | 0.648 | C | S | . | * | H | α-helix | trans | -67.9 | -30.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | D19 R27 | D19-A23 PolarHBondContact O-N 2.96Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; A23-R27 VanDerWaalsContact O-CD 3.29Å; A23-R27 WeakPolarHBondContact O-CD 3.21Å; A23-R27 VanDerWaalsContact O-CG 3.25Å; A23-R27 WeakPolarHBondContact O-CG 3.2Å; A23-R27 PolarHBondContact O-NE 2.9Å |
| 24 | L | 54.7 | Low | 55.3 | Low | 130 Ų | 130 | 105.6 Ų | 105.6 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -86 | -32.8 | 177.4 | -155.1 | 72.5 | 0 | 0 | 0 | 111.9 | M20 A21 G22 G26 | M20-L24 VanDerWaalsContact O-CB 3.27Å; M20-L24 WeakPolarHBondContact O-CB 3.22Å; M20-L24 PolarHBondContact O-N 3.04Å; A21-L24 PolarHBondContact O-N 2.88Å; G22-L24 VanDerWaalsContact C-N 3.33Å; L24-G26 PolarHBondContact O-N 2.99Å |
| 25 | A | 55.1 | Low | 55.2 | Low | 90 Ų | 90 | 106.2 Ų | 106.2 | 74% | 0.744 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69 | -17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A21 | A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 2.87Å |
| 26 | G | 52.9 | Low | 55.3 | Low | 48 Ų | 48 | 109 Ų | 109 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.4 | 13.7 | -171 | 0 | 0 | 0 | 0 | 0 | 116.8 | G22 L24 | G22-G26 PolarHBondContact O-N 2.78Å; L24-G26 PolarHBondContact O-N 2.99Å |
| 27 | R | 53 | Low | 55.7 | Low | 146 Ų | 146 | 109.1 Ų | 109.1 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | | | trans | -137.5 | 16.4 | -168.9 | -36.4 | -176.1 | -167.1 | -116.3 | -7.7 | 116.6 | A23 D29 | A23-R27 VanDerWaalsContact O-CD 3.29Å; A23-R27 WeakPolarHBondContact O-CD 3.21Å; A23-R27 VanDerWaalsContact O-CG 3.25Å; A23-R27 WeakPolarHBondContact O-CG 3.2Å; A23-R27 PolarHBondContact O-NE 2.9Å; R27-D29 PolarHBondContact O-N 3.36Å |
| 28 | H | 51.5 | Low | 55.9 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 82% | 0.819 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -24.6 | 170.4 | -85.2 | -155.2 | 0 | 0 | 0 | 111.7 | | |
| 29 | D | 52.3 | Low | 56 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -10.5 | -178.4 | -56.1 | -51.6 | 0 | 0 | 0 | 114.2 | R27 | R27-D29 PolarHBondContact O-N 3.36Š|
| 30 | D | 49.3 | Very low | 56.2 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 4.3 | -175.1 | -80.1 | -35.3 | 0 | 0 | 0 | 113.8 | P32 | D30-P32 WeakPolarHBondContact O-CD 3.29Š|
| 31 | E | 50.3 | Low | 56.5 | Low | 149 Ų | 149 | 115.2 Ų | 115.2 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | | | trans | -70.6 | 113.9 | 170.6 | -117.2 | -172.1 | 148.8 | 0 | 0 | 108.4 | | |
| 32 | P | 54 | Low | 56.8 | Low | 100 Ų | 100 | 116 Ų | 116 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | | | trans | -58 | 146.3 | 171.4 | 26.8 | -33.1 | 0 | 0 | 0 | 107.6 | D30 I34 | D30-P32 WeakPolarHBondContact O-CD 3.29Å; P32-I34 PolarHBondContact O-N 3.23Å |
| 33 | P | 56.7 | Low | 56.7 | Low | 120 Ų | 120 | 117.6 Ų | 117.6 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | | | trans | -50.2 | 125 | 175.4 | 21.2 | -31.5 | 0 | 0 | 0 | 107.3 | S35 | P33-S35 PolarHBondContact O-N 3.11Š|
| 34 | I | 58.7 | Low | 56.5 | Low | 118 Ų | 118 | 124 Ų | 124 | 61% | 0.605 | 70% | 0.695 | S | S | * | * | | | trans | -39.8 | 116.2 | 173.4 | -68.2 | 173.2 | 0 | 0 | 0 | 105.5 | P32 S36 Y38 | P32-I34 PolarHBondContact O-N 3.23Å; I34-S36 PolarHBondContact O-N 2.91Å; I34-Y38 VanDerWaalsContact CG2-CD1 3.46Å; I34-Y38 HydrophobicContact CG2-CE1 4.36Å; I34-Y38 HydrophobicContact CG2-CG 3.55Å; I34-Y38 HydrophobicContact CG2-CD1 3.46Å |
| 35 | S | 58 | Low | 56.6 | Low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 68% | 0.684 | S | S | . | * | | | trans | -44 | 134.1 | -167.2 | 69.9 | 0 | 0 | 0 | 0 | 108.8 | P33 N37 Y38 | P33-S35 PolarHBondContact O-N 3.11Å; S35-N37 PolarHBondContact O-N 3.36Å; S35-Y38 VanDerWaalsContact O-CB 3.31Å; S35-Y38 WeakPolarHBondContact O-CB 3.41Å; S35-Y38 PolarHBondContact O-N 3.18Å |
| 36 | S | 57.8 | Low | 56.7 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -10.8 | -175.9 | -171.5 | 0 | 0 | 0 | 0 | 114.1 | I34 | I34-S36 PolarHBondContact O-N 2.91Š|
| 37 | N | 61.7 | Low | 57.1 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 0.6 | 177.1 | -65.1 | -2.9 | 0 | 0 | 0 | 113.9 | S35 Q39 | S35-N37 PolarHBondContact O-N 3.36Å; N37-Q39 VanDerWaalsContact O-N 3.12Å; N37-Q39 PolarHBondContact O-N 3.17Å |
| 38 | Y | 60.7 | Low | 57.5 | Low | 136 Ų | 136 | 122.6 Ų | 122.6 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | | | trans | -77 | 101.6 | 176.8 | -170.7 | -105.3 | 0 | 0 | 0 | 109 | I34 S35 G40 | I34-Y38 VanDerWaalsContact CG2-CD1 3.46Å; I34-Y38 HydrophobicContact CG2-CE1 4.36Å; I34-Y38 HydrophobicContact CG2-CG 3.55Å; I34-Y38 HydrophobicContact CG2-CD1 3.46Å; S35-Y38 VanDerWaalsContact O-CB 3.31Å; S35-Y38 WeakPolarHBondContact O-CB 3.41Å; S35-Y38 PolarHBondContact O-N 3.18Å; Y38-G40 PolarHBondContact O-N 3.33Å |
| 39 | Q | 60.6 | Low | 57.7 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | | | trans | -75.5 | 11.6 | -177.6 | -66.6 | -65 | -48 | 0 | 0 | 113.8 | N37 | N37-Q39 VanDerWaalsContact O-N 3.12Å; N37-Q39 PolarHBondContact O-N 3.17Å |
| 40 | G | 63.6 | Low | 58 | Low | 36 Ų | 36 | 119.4 Ų | 119.4 | 37% | 0.371 | 68% | 0.676 | S | S | . | * | | | trans | 63.3 | 169.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y38 | Y38-G40 PolarHBondContact O-N 3.33Š|
| 41 | R | 63.3 | Low | 58.5 | Low | 204 Ų | 204 | 122.9 Ų | 122.9 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | | | trans | -79.8 | 138.3 | 162 | -68.9 | 178.3 | -179.5 | -103.2 | -0.8 | 106.9 | G43 A45 | R41-G43 PolarHBondContact O-N 3.16Å; R41-A45 HydrophobicContact CB-CB 4.38Å |
| 42 | P | 63.1 | Low | 59 | Low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | | | trans | -48.5 | 135.7 | 173.5 | -25 | 32.2 | 0 | 0 | 0 | 110 | N44 A45 | P42-N44 PolarHBondContact O-N 3.33Å; P42-A45 VanDerWaalsContact O-CB 3.22Å; P42-A45 WeakPolarHBondContact O-CB 3.25Å; P42-A45 PolarHBondContact O-N 2.77Å |
| 43 | G | 56 | Low | 59.6 | Low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -8.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R41 | R41-G43 PolarHBondContact O-N 3.16Š|
| 44 | N | 52.7 | Low | 59.8 | Low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 13.7 | 175.1 | -62.4 | 83.4 | 0 | 0 | 0 | 113 | P42 D46 | P42-N44 PolarHBondContact O-N 3.33Å; N44-D46 PolarHBondContact O-N 3.29Å |
| 45 | A | 57.1 | Low | 59.7 | Low | 54 Ų | 54 | 127.2 Ų | 127.2 | 45% | 0.446 | 70% | 0.697 | S | S | . | * | | | trans | -68.2 | 88.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | R41 P42 P47 | R41-A45 HydrophobicContact CB-CB 4.38Å; P42-A45 VanDerWaalsContact O-CB 3.22Å; P42-A45 WeakPolarHBondContact O-CB 3.25Å; P42-A45 PolarHBondContact O-N 2.77Å; A45-P47 WeakPolarHBondContact O-CD 3.36Å; A45-P47 VanDerWaalsContact O-N 3.08Å |
| 46 | D | 57.4 | Low | 59.8 | Low | 73 Ų | 73 | 129.4 Ų | 129.4 | 39% | 0.39 | 70% | 0.703 | S | S | . | * | | | trans | -50.3 | 116.2 | 173.2 | 177.9 | -0.6 | 0 | 0 | 0 | 108.2 | N44 N48 Y49 | N44-D46 PolarHBondContact O-N 3.29Å; D46-N48 PolarHBondContact O-N 2.68Å; D46-N48 WeakPolarHBondContact OD1-CB 3.27Å; D46-N48 PolarHBondContact OD1-N 3.46Å; D46-N48 PolarHBondContact OD1-ND2 3.45Å; D46-Y49 HydrophobicContact CB-CD2 3.94Å; D46-Y49 PolarHBondContact O-N 2.86Å |
| 47 | P | 60.9 | Low | 59.3 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -11.9 | -179.5 | 27.4 | -34.7 | 0 | 0 | 0 | 112.2 | A45 | A45-P47 WeakPolarHBondContact O-CD 3.36Å; A45-P47 VanDerWaalsContact O-N 3.08Å |
| 48 | N | 62 | Low | 59.1 | Low | 133 Ų | 133 | 134.2 Ų | 134.2 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -7 | 174.7 | -54.8 | -74.4 | 0 | 0 | 0 | 113.5 | D46 A50 | D46-N48 PolarHBondContact O-N 2.68Å; D46-N48 WeakPolarHBondContact OD1-CB 3.27Å; D46-N48 PolarHBondContact OD1-N 3.46Å; D46-N48 PolarHBondContact OD1-ND2 3.45Å; N48-A50 PolarHBondContact O-N 3.08Å |
| 49 | Y | 55.5 | Low | 59.1 | Low | 198 Ų | 198 | 134.1 Ų | 134.1 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -74.4 | 84 | 167.3 | -97.7 | -95.8 | 0 | 0 | 0 | 109.3 | D46 Y51 | D46-Y49 HydrophobicContact CB-CD2 3.94Å; D46-Y49 PolarHBondContact O-N 2.86Å; Y49-Y51 PolarHBondContact O-N 2.77Å |
| 50 | A | 59 | Low | 59 | Low | 75 Ų | 75 | 131.8 Ų | 131.8 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | | | trans | -55.5 | 124 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N48 Q52 | N48-A50 PolarHBondContact O-N 3.08Å; A50-Q52 PolarHBondContact O-N 2.98Å |
| 51 | Y | 60 | Low | 58.7 | Low | 203 Ų | 203 | 137.5 Ų | 137.5 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -54.9 | 110.2 | 168.9 | 173.7 | -100.8 | 0 | 0 | 0 | 108.5 | Y49 P53 | Y49-Y51 PolarHBondContact O-N 2.77Å; Y51-P53 HydrophobicContact CE1-CB 3.97Å; Y51-P53 VanDerWaalsContact O-CD 3.29Å; Y51-P53 WeakPolarHBondContact O-CD 3.4Å |
| 52 | Q | 61.2 | Low | 58.4 | Low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -91.5 | 106.5 | 171.9 | -66.4 | -175.2 | -2.8 | 0 | 0 | 107.1 | A50 R54 | A50-Q52 PolarHBondContact O-N 2.98Å; Q52-R54 PolarHBondContact O-N 3.26Å; Q52-R54 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 64.9 | Low | 58.1 | Low | 95 Ų | 95 | 135.5 Ų | 135.5 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | | | trans | -60.4 | 122.9 | 170.5 | 25.6 | -31.1 | 0 | 0 | 0 | 107.1 | Y51 A55 | Y51-P53 HydrophobicContact CE1-CB 3.97Å; Y51-P53 VanDerWaalsContact O-CD 3.29Å; Y51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-A55 PolarHBondContact O-N 3.13Å |
| 54 | R | 61.4 | Low | 58.2 | Low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | | | trans | -67.7 | 134.7 | 173.1 | -57.3 | -175.7 | 166.9 | -167 | -3 | 108.2 | Q52 D56 | Q52-R54 PolarHBondContact O-N 3.26Å; Q52-R54 VanDerWaalsContact O-N 3.15Å; R54-D56 WeakPolarHBondContact CB-OD1 3.21Å; R54-D56 PolarHBondContact O-N 3.31Å |
| 55 | A | 57.2 | Low | 58.7 | Low | 110 Ų | 110 | 137.5 Ų | 137.5 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -82.6 | 10.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P53 N57 | P53-A55 PolarHBondContact O-N 3.13Å; A55-N57 PolarHBondContact O-N 2.98Å |
| 56 | D | 59.8 | Low | 58.8 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | | | trans | -96.7 | 78 | 176.2 | 57.1 | -23.9 | 0 | 0 | 0 | 110.2 | R54 | R54-D56 WeakPolarHBondContact CB-OD1 3.21Å; R54-D56 PolarHBondContact O-N 3.31Å |
| 57 | N | 46.4 | Very low | 58.9 | Low | 227 Ų | 227 | 150.9 Ų | 150.9 | 100% | 1.214 | 79% | 0.787 | S | S | * | * | | | trans | -106.3 | 0 | 154.1 | -174.3 | 77.9 | 0 | 0 | 0 | 109.3 | A55 | A55-N57 PolarHBondContact O-N 2.98Š|