| 1 | D | 56.2 | Low | 54 | Low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | | | | 0 | 4.3 | 0 | -60.9 | -69.1 | 0 | 0 | 0 | 116.5 | R4 | D1-R4 VanDerWaalsContact OD1-CZ 3.25Å; D1-R4 IonicContact OD1-CZ 3.25Å; D1-R4 PolarHBondContact OD1-NH2 3.23Å; D1-R4 IonicContact OD1-NH2 2.86Å; D1-R4 IonicContact OD1-NH1 3.75Å; D1-R4 PolarHBondContact OD1-NH1 2.86Å |
| 2 | Q | 59.3 | Low | 53.8 | Low | 175 Ų | 175 | 127.8 Ų | 127.8 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.9 | -22.8 | -179.5 | -75.6 | 174.2 | -19.1 | 0 | 0 | 114.9 | | |
| 3 | V | 56.1 | Low | 53.3 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.9 | -29.3 | -176.3 | -178.2 | 0 | 0 | 0 | 0 | 112 | L7 | V3-L7 PolarHBondContact O-N 2.8Å |
| 4 | R | 54.1 | Low | 53.1 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 64% | 0.638 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.7 | -39.2 | 178.9 | -87.1 | -171.7 | -110.3 | 104.3 | 3.4 | 112.5 | D1 R6 L7 E8 | D1-R4 VanDerWaalsContact OD1-CZ 3.25Å; D1-R4 IonicContact OD1-CZ 3.25Å; D1-R4 PolarHBondContact OD1-NH2 3.23Å; D1-R4 IonicContact OD1-NH2 2.86Å; D1-R4 IonicContact OD1-NH1 3.75Å; D1-R4 PolarHBondContact OD1-NH1 2.86Å; R4-R6 PolarHBondContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.46Å; R4-E8 PolarHBondContact O-N 3.22Å |
| 5 | N | 56 | Low | 52.5 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 54% | 0.54 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68 | -34.3 | -179.3 | -65.2 | 7 | 0 | 0 | 0 | 112.7 | L7 E8 E9 | N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.44Å; N5-E8 PolarHBondContact O-N 3.28Å; N5-E9 PolarHBondContact O-N 3.4Å |
| 6 | R | 55.4 | Low | 52.2 | Low | 194 Ų | 194 | 126.1 Ų | 126.1 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.4 | -26.9 | 175.6 | -93.3 | -168.1 | 160 | -162.9 | -4.9 | 113.5 | R4 E8 V10 | R4-R6 PolarHBondContact O-N 3.14Å; R6-E8 VanDerWaalsContact C-N 3.35Å; R6-V10 PolarHBondContact O-N 3.5Å; R6-V10 WeakPolarHBondContact O-CG2 3.39Å |
| 7 | L | 52.8 | Low | 52.1 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.7 | -32 | 176.6 | -156.9 | 67.2 | 0 | 0 | 0 | 110.9 | V3 R4 N5 S11 L14 | V3-L7 PolarHBondContact O-N 2.8Å; R4-L7 PolarHBondContact O-N 3.46Å; N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.44Å; L7-S11 PolarHBondContact O-N 3.4Å; L7-L14 HydrophobicContact CD2-CD2 3.86Å; L7-L14 HydrophobicContact CG-CD2 4.43Å |
| 8 | E | 51 | Low | 51.8 | Low | 107 Ų | 107 | 132.9 Ų | 132.9 | 50% | 0.5 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.4 | -37.6 | 174.7 | -163 | 173.8 | -163.4 | 0 | 0 | 112.6 | R4 N5 R6 V15 | R4-E8 PolarHBondContact O-N 3.22Å; N5-E8 PolarHBondContact O-N 3.28Å; R6-E8 VanDerWaalsContact C-N 3.35Å; E8-V15 HydrophobicContact CG-CG2 4.34Å |
| 9 | E | 54.4 | Low | 51.5 | Low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71 | -28.7 | 177.4 | -73.9 | 179.8 | 169 | 0 | 0 | 114 | N5 | N5-E9 PolarHBondContact O-N 3.4Å |
| 10 | V | 56.1 | Low | 51.5 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -89.9 | -31.2 | -176.2 | 175.6 | 0 | 0 | 0 | 0 | 112 | R6 | R6-V10 PolarHBondContact O-N 3.5Å; R6-V10 WeakPolarHBondContact O-CG2 3.39Å |
| 11 | S | 43.2 | Very low | 51.6 | Low | 47 Ų | 47 | 132 Ų | 132 | 33% | 0.329 | 65% | 0.651 | S | S | . | * | | | trans | -160 | 99.3 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | L7 N13 | L7-S11 PolarHBondContact O-N 3.4Å; S11-N13 PolarHBondContact O-N 3.25Å; S11-N13 PolarHBondContact OG-OD1 3.07Å |
| 12 | P | 51.5 | Low | 51.3 | Low | 84 Ų | 84 | 133.7 Ų | 133.7 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -67.3 | -8.1 | 179.9 | 26.3 | -33.4 | 0 | 0 | 0 | 113.5 | L14 | P12-L14 PolarHBondContact O-N 2.99Š|
| 13 | N | 46.7 | Very low | 50.9 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -68.9 | -14.3 | -177.4 | -36.1 | 49.6 | 0 | 0 | 0 | 113.1 | S11 | S11-N13 PolarHBondContact O-N 3.25Å; S11-N13 PolarHBondContact OG-OD1 3.07Å |
| 14 | L | 50.6 | Low | 50.8 | Low | 115 Ų | 115 | 131.3 Ų | 131.3 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -90.6 | -2.8 | -175.8 | -134.8 | 79.4 | 0 | 0 | 0 | 114 | L7 P12 | L7-L14 HydrophobicContact CD2-CD2 3.86Å; L7-L14 HydrophobicContact CG-CD2 4.43Å; P12-L14 PolarHBondContact O-N 2.99Å |
| 15 | V | 44.8 | Very low | 50.8 | Low | 91 Ų | 91 | 130.8 Ų | 130.8 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -111.1 | -4.3 | -175.2 | -145.7 | 0 | 0 | 0 | 0 | 112.8 | E8 | E8-V15 HydrophobicContact CG-CG2 4.34Š|
| 16 | R | 47.7 | Very low | 50.8 | Low | 159 Ų | 159 | 133.8 Ų | 133.8 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | | | trans | -105.5 | 93.4 | 176.8 | -69.7 | -174.2 | 170.9 | -170.6 | -3.6 | 110 | D18 D19 E21 | R16-D18 PolarHBondContact O-N 3.48Å; R16-D18 VanDerWaalsContact O-N 3.14Å; R16-D19 IonicContact NH1-OD2 3.46Å; R16-D19 HydrophobicContact CB-CB 4.48Å; R16-E21 IonicContact NH1-OE1 2.8Å; R16-E21 PolarHBondContact NH1-OE1 3.03Å |
| 17 | Y | 49.9 | Very low | 50.9 | Low | 219 Ų | 219 | 131.6 Ų | 131.6 | 86% | 0.859 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 15.5 | -178.5 | -89.4 | -80.6 | 0 | 0 | 0 | 115.2 | | |
| 18 | D | 47.5 | Very low | 51.2 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | 7.4 | -177.6 | -129.3 | -3.4 | 0 | 0 | 0 | 115.8 | R16 | R16-D18 PolarHBondContact O-N 3.48Å; R16-D18 VanDerWaalsContact O-N 3.14Å |
| 19 | D | 45.4 | Very low | 51.5 | Low | 96 Ų | 96 | 130.2 Ų | 130.2 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | | | trans | -108.5 | 105.2 | 179 | -72.8 | -32.2 | 0 | 0 | 0 | 110.1 | R16 E21 | R16-D19 IonicContact NH1-OD2 3.46Å; R16-D19 HydrophobicContact CB-CB 4.48Å; D19-E21 VanDerWaalsContact C-N 3.27Å; D19-E21 PolarHBondContact O-N 3.21Å |
| 20 | I | 50.7 | Low | 51.8 | Low | 163 Ų | 163 | 124.1 Ų | 124.1 | 84% | 0.836 | 63% | 0.629 | S | S | * | * | | | trans | -72.3 | 89.9 | 164.9 | -58.7 | 168.6 | 0 | 0 | 0 | 106.3 | E22 | I20-E22 PolarHBondContact O-N 2.84Š|
| 21 | E | 53.3 | Low | 52.1 | Low | 120 Ų | 120 | 124 Ų | 124 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | | | trans | -65.4 | 106.2 | 171.8 | -66.6 | -72.9 | 162.8 | 0 | 0 | 108.4 | R16 D19 T23 | R16-E21 IonicContact NH1-OE1 2.8Å; R16-E21 PolarHBondContact NH1-OE1 3.03Å; D19-E21 VanDerWaalsContact C-N 3.27Å; D19-E21 PolarHBondContact O-N 3.21Å; E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 2.89Å |
| 22 | E | 50.9 | Low | 52.8 | Low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 63% | 0.634 | S | S | * | * | | | trans | -60.5 | 96.9 | 169.4 | -91.8 | -174.4 | 165.9 | 0 | 0 | 109.1 | I20 N24 | I20-E22 PolarHBondContact O-N 2.84Å; E22-N24 VanDerWaalsContact C-N 3.25Å; E22-N24 PolarHBondContact O-N 2.87Å |
| 23 | T | 51.7 | Low | 53.2 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | | | trans | -74.7 | 82.6 | 172.6 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | E21 Y25 | E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 2.89Å; T23-Y25 PolarHBondContact O-N 2.82Å |
| 24 | N | 53.5 | Low | 53.8 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | | | trans | -68.7 | 18.4 | 175.9 | -149.5 | 0.9 | 0 | 0 | 0 | 113.5 | E22 F26 | E22-N24 VanDerWaalsContact C-N 3.25Å; E22-N24 PolarHBondContact O-N 2.87Å; N24-F26 PolarHBondContact O-N 2.86Å; N24-F26 VanDerWaalsContact C-N 3.26Å |
| 25 | Y | 54.1 | Low | 54 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 16.2 | 177.2 | -59.7 | -67 | 0 | 0 | 0 | 113.1 | T23 Q27 Q28 A29 | T23-Y25 PolarHBondContact O-N 2.82Å; Y25-Q27 PolarHBondContact O-N 3.4Å; Y25-Q28 PolarHBondContact O-N 3.33Å; Y25-A29 WeakPolarHBondContact O-CB 3.5Å; Y25-A29 PolarHBondContact O-N 3.06Å |
| 26 | F | 55.3 | Low | 54.3 | Low | 163 Ų | 163 | 129.6 Ų | 129.6 | 72% | 0.715 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.5 | -36.3 | 176.8 | -169.9 | -98.4 | 0 | 0 | 0 | 112.1 | N24 S30 | N24-F26 PolarHBondContact O-N 2.86Å; N24-F26 VanDerWaalsContact C-N 3.26Å; F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.43Å |
| 27 | Q | 57.3 | Low | 54.7 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.6 | -48.1 | -179.9 | -69.7 | -176.4 | -3.5 | 0 | 0 | 112.5 | Y25 S30 E31 | Y25-Q27 PolarHBondContact O-N 3.4Å; Q27-S30 PolarHBondContact O-N 3.05Å; Q27-E31 WeakPolarHBondContact O-CB 3.24Å; Q27-E31 WeakPolarHBondContact O-CG 3.39Å; Q27-E31 PolarHBondContact O-N 3.49Å |
| 28 | Q | 59.4 | Low | 54.8 | Low | 120 Ų | 120 | 126.7 Ų | 126.7 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.5 | -40 | 180 | -68.9 | 170.1 | 4.2 | 0 | 0 | 111.9 | Y25 E31 L32 | Y25-Q28 PolarHBondContact O-N 3.33Å; Q28-E31 PolarHBondContact O-N 3.35Å; Q28-L32 PolarHBondContact O-N 3.24Å; Q28-L32 WeakPolarHBondContact O-CG 3.24Å |
| 29 | A | 58.4 | Low | 55.3 | Low | 59 Ų | 59 | 127.2 Ų | 127.2 | 49% | 0.488 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.6 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y25 A33 | Y25-A29 WeakPolarHBondContact O-CB 3.5Å; Y25-A29 PolarHBondContact O-N 3.06Å; A29-A33 PolarHBondContact O-N 2.98Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å |
| 30 | S | 60.1 | Low | 55.7 | Low | 35 Ų | 35 | 129 Ų | 129 | 25% | 0.245 | 66% | 0.661 | C | S | . | * | H | α-helix | trans | -65.2 | -40.7 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 112 | F26 Q27 A33 K34 | F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.43Å; Q27-S30 PolarHBondContact O-N 3.05Å; S30-A33 PolarHBondContact O-N 2.86Å; S30-K34 WeakPolarHBondContact O-CB 3.37Å; S30-K34 VanDerWaalsContact O-CG 3.24Å; S30-K34 WeakPolarHBondContact O-CG 3.07Å; S30-K34 PolarHBondContact O-N 3.01Å |
| 31 | E | 61.5 | Low | 56 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.9 | -44 | 177.4 | -76.7 | 176.8 | 178.3 | 0 | 0 | 111.9 | Q27 Q28 K34 L35 | Q27-E31 WeakPolarHBondContact O-CB 3.24Å; Q27-E31 WeakPolarHBondContact O-CG 3.39Å; Q27-E31 PolarHBondContact O-N 3.49Å; Q28-E31 PolarHBondContact O-N 3.35Å; E31-K34 PolarHBondContact O-N 2.93Å; E31-L35 PolarHBondContact O-N 3.35Å |
| 32 | L | 59.6 | Low | 56.2 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.4 | -36.5 | 175.2 | -70.6 | 172.4 | 0 | 0 | 0 | 112.6 | Q28 K34 L35 V36 | Q28-L32 PolarHBondContact O-N 3.24Å; Q28-L32 WeakPolarHBondContact O-CG 3.24Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.9Å; L32-L35 HydrophobicContact CD2-CD1 4.27Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-L35 WeakPolarHBondContact O-CB 3.14Å; L32-V36 PolarHBondContact O-N 3.47Å |
| 33 | A | 58.3 | Low | 56.4 | Low | 68 Ų | 68 | 124 Ų | 124 | 56% | 0.562 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.4 | -29 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A29 S30 | A29-A33 PolarHBondContact O-N 2.98Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; S30-A33 PolarHBondContact O-N 2.86Å |
| 34 | K | 59.2 | Low | 56.6 | Low | 156 Ų | 156 | 124 Ų | 124 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.2 | -23.3 | 173.2 | -74.4 | 170.5 | -174.6 | 173.6 | 0 | 113.5 | S30 E31 L32 V36 | S30-K34 WeakPolarHBondContact O-CB 3.37Å; S30-K34 VanDerWaalsContact O-CG 3.24Å; S30-K34 WeakPolarHBondContact O-CG 3.07Å; S30-K34 PolarHBondContact O-N 3.01Å; E31-K34 PolarHBondContact O-N 2.93Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.9Å; K34-V36 VanDerWaalsContact C-N 3.34Å |
| 35 | L | 56.2 | Low | 56.7 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 71% | 0.707 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.1 | -28.7 | 175.8 | -90.7 | 149.8 | 0 | 0 | 0 | 112.1 | E31 L32 N37 | E31-L35 PolarHBondContact O-N 3.35Å; L32-L35 HydrophobicContact CD2-CD1 4.27Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-L35 WeakPolarHBondContact O-CB 3.14Å; L35-N37 PolarHBondContact O-N 3.27Å |
| 36 | V | 50.3 | Low | 56.7 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 58% | 0.576 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -88.9 | 96.3 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | L32 K34 Q38 | L32-V36 PolarHBondContact O-N 3.47Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-Q38 PolarHBondContact O-N 3.39Å |
| 37 | N | 55.2 | Low | 56.7 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | | | trans | -68.8 | 77.6 | 168.1 | -93.4 | -34.1 | 0 | 0 | 0 | 109.5 | L35 E39 | L35-N37 PolarHBondContact O-N 3.27Å; N37-E39 PolarHBondContact O-N 3.41Å |
| 38 | Q | 53.4 | Low | 56.8 | Low | 158 Ų | 158 | 117.3 Ų | 117.3 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | | | trans | -73.6 | 117.3 | 163.9 | -170.2 | 71.5 | 31.3 | 0 | 0 | 107 | V36 V40 | V36-Q38 PolarHBondContact O-N 3.39Å; Q38-V40 PolarHBondContact O-N 3.01Å; Q38-V40 VanDerWaalsContact O-N 3.12Å |
| 39 | E | 58.1 | Low | 56.5 | Low | 168 Ų | 168 | 117.1 Ų | 117.1 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | | | trans | -56.6 | 119.6 | 174.6 | -71.8 | -174.1 | 159.1 | 0 | 0 | 109.5 | N37 L41 | N37-E39 PolarHBondContact O-N 3.41Å; E39-L41 PolarHBondContact O-N 3.01Å |
| 40 | V | 53.8 | Low | 56.4 | Low | 135 Ų | 135 | 120.4 Ų | 120.4 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | | | trans | -70.5 | 100.9 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | Q38 A42 | Q38-V40 PolarHBondContact O-N 3.01Å; Q38-V40 VanDerWaalsContact O-N 3.12Å; V40-A42 PolarHBondContact O-N 2.75Å |
| 41 | L | 57.5 | Low | 56.1 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 68% | 0.681 | 68% | 0.682 | S | S | * | * | | | trans | -56.6 | 127.5 | 169.2 | -69.9 | 169.3 | 0 | 0 | 0 | 108 | E39 D43 | E39-L41 PolarHBondContact O-N 3.01Å; L41-D43 PolarHBondContact O-N 3.48Å |
| 42 | A | 56 | Low | 55.7 | Low | 104 Ų | 104 | 123.5 Ų | 123.5 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | | | trans | -71.8 | 27.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V40 | V40-A42 PolarHBondContact O-N 2.75Š|
| 43 | D | 56.6 | Low | 55.5 | Low | 121 Ų | 121 | 126.4 Ų | 126.4 | 65% | 0.647 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -83.3 | 134.6 | 175 | -71.1 | -31.2 | 0 | 0 | 0 | 108.6 | L41 L45 | L41-D43 PolarHBondContact O-N 3.48Å; D43-L45 PolarHBondContact O-N 3.25Å; D43-L45 VanDerWaalsContact O-N 3.11Å |
| 44 | P | 54.1 | Low | 55.3 | Low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | | | trans | -59.5 | 121.9 | -179.3 | 23.1 | -30.9 | 0 | 0 | 0 | 109.3 | V46 | P44-V46 HydrophobicContact CB-CG2 4.23Å; P44-V46 HydrophobicContact CG-CG2 4.47Å; P44-V46 PolarHBondContact O-N 3.47Å |
| 45 | L | 55.5 | Low | 55 | Low | 172 Ų | 172 | 126.3 Ų | 126.3 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | | | trans | -66.5 | 75.2 | 172.4 | -78 | 157.3 | 0 | 0 | 0 | 109.5 | D43 P47 | D43-L45 PolarHBondContact O-N 3.25Å; D43-L45 VanDerWaalsContact O-N 3.11Å; L45-P47 WeakPolarHBondContact O-CD 3.44Å |
| 46 | V | 55.2 | Low | 55 | Low | 94 Ų | 94 | 127.3 Ų | 127.3 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | | | trans | -78.6 | 118.8 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | P44 L50 | P44-V46 HydrophobicContact CB-CG2 4.23Å; P44-V46 HydrophobicContact CG-CG2 4.47Å; P44-V46 PolarHBondContact O-N 3.47Å; V46-L50 HydrophobicContact CG1-CD1 3.68Å |
| 47 | P | 55.6 | Low | 55.6 | Low | 77 Ų | 77 | 131.2 Ų | 131.2 | 50% | 0.5 | 70% | 0.697 | S | S | . | * | | | trans | -58.5 | 132 | 175.8 | 21.7 | -29.8 | 0 | 0 | 0 | 109.2 | L45 Q49 L50 | L45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-Q49 PolarHBondContact O-N 3.11Å; P47-L50 HydrophobicContact CG-CD2 4.34Å; P47-L50 HydrophobicContact CG-CG 4.29Å |
| 48 | P | 58.3 | Low | 55.7 | Low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -69.2 | -2.6 | -169 | 25.1 | -33.7 | 0 | 0 | 0 | 114.8 | | |
| 49 | Q | 53.7 | Low | 55.5 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 54% | 0.542 | 68% | 0.678 | S | S | . | * | | | trans | -137.7 | 93.9 | -179 | -64.3 | -179.5 | 3.3 | 0 | 0 | 110.2 | P47 | P47-Q49 PolarHBondContact O-N 3.11Š|
| 50 | L | 56.5 | Low | 55.4 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | | | trans | -101.5 | -9.2 | 177 | -82.3 | 154.7 | 0 | 0 | 0 | 112.6 | V46 P47 | V46-L50 HydrophobicContact CG1-CD1 3.68Å; P47-L50 HydrophobicContact CG-CD2 4.34Å; P47-L50 HydrophobicContact CG-CG 4.29Å |
| 51 | T | 53.1 | Low | 55.4 | Low | 82 Ų | 82 | 126.3 Ų | 126.3 | 50% | 0.503 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -135.4 | 142.5 | -175.2 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | K53 D54 | T51-K53 PolarHBondContact O-N 3.4Å; T51-D54 PolarHBondContact O-N 3.12Å; T51-D54 PolarHBondContact OG1-OD2 3.02Å |
| 52 | I | 54.5 | Low | 54.9 | Low | 142 Ų | 142 | 128.2 Ų | 128.2 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -57.9 | -19.5 | 177.1 | -67.8 | 163.1 | 0 | 0 | 0 | 112.3 | D54 F55 Y56 | I52-D54 VanDerWaalsContact C-N 3.32Å; I52-D54 PolarHBondContact O-N 3.42Å; I52-F55 VanDerWaalsContact O-CB 3.24Å; I52-F55 WeakPolarHBondContact O-CB 3.45Å; I52-F55 PolarHBondContact O-N 2.82Å; I52-Y56 HydrophobicContact CG2-CE2 4.48Å |
| 53 | K | 55.3 | Low | 54.9 | Low | 180 Ų | 180 | 129.5 Ų | 129.5 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -67.3 | -30.9 | 176 | -92.8 | -178.2 | 171.6 | -179.9 | 0 | 113.1 | T51 F55 | T51-K53 PolarHBondContact O-N 3.4Å; K53-F55 PolarHBondContact O-N 2.86Å |
| 54 | D | 53.2 | Low | 54.8 | Low | 76 Ų | 76 | 129.9 Ų | 129.9 | 41% | 0.406 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -80.3 | -7.5 | 179.7 | -55.6 | -44.3 | 0 | 0 | 0 | 112.3 | T51 I52 Y56 | T51-D54 PolarHBondContact O-N 3.12Å; T51-D54 PolarHBondContact OG1-OD2 3.02Å; I52-D54 VanDerWaalsContact C-N 3.32Å; I52-D54 PolarHBondContact O-N 3.42Å; D54-Y56 VanDerWaalsContact C-N 3.33Å |
| 55 | F | 54 | Low | 54.8 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -72.3 | -24.7 | 178.1 | -161.5 | -98.2 | 0 | 0 | 0 | 112.9 | I52 K53 | I52-F55 VanDerWaalsContact O-CB 3.24Å; I52-F55 WeakPolarHBondContact O-CB 3.45Å; I52-F55 PolarHBondContact O-N 2.82Å; K53-F55 PolarHBondContact O-N 2.86Å |
| 56 | Y | 55.9 | Low | 54.8 | Low | 156 Ų | 156 | 128.7 Ų | 128.7 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -94.1 | 3.6 | -173.1 | -71.6 | -77.6 | 0 | 0 | 0 | 114.8 | I52 D54 V62 | I52-Y56 HydrophobicContact CG2-CE2 4.48Å; D54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-V62 WeakPolarHBondContact O-CG2 3.46Å |
| 57 | M | 61.4 | Low | 54.8 | Low | 177 Ų | 177 | 130.9 Ų | 130.9 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -138.2 | 56.3 | -176.1 | -84.2 | -177.9 | 151 | 0 | 0 | 112.1 | | |
| 58 | T | 57.3 | Low | 54.7 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -125.5 | 14.1 | 177.4 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 59 | G | 49.1 | Very low | 54.5 | Low | 52 Ų | 52 | 135 Ų | 135 | 54% | 0.536 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -162 | 148.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L61 | G59-L61 PolarHBondContact O-N 3.28Š|
| 60 | L | 57.4 | Low | 54.5 | Low | 187 Ų | 187 | 136.5 Ų | 136.5 | 98% | 0.979 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -65.3 | 21.7 | -179.1 | -162.1 | 96.5 | 0 | 0 | 0 | 114.4 | | |
| 61 | L | 54 | Low | 54.4 | Low | 172 Ų | 172 | 137.2 Ų | 137.2 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | | | trans | -147.4 | 73.8 | 176.8 | -96.6 | 161.3 | 0 | 0 | 0 | 108.1 | G59 | G59-L61 PolarHBondContact O-N 3.28Š|
| 62 | V | 47 | Very low | 54.5 | Low | 170 Ų | 170 | 142.2 Ų | 142.2 | 100% | 1.03 | 74% | 0.74 | S | S | * | * | | | trans | -108.1 | 0 | 148.9 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | Y56 | Y56-V62 WeakPolarHBondContact O-CG2 3.46Š|