| 1 | M | 29.3 | Very low | 42.6 | Very low | 251 Ų | 251 | 126.6 Ų | 126.6 | 100% | 1.236 | 69% | 0.686 | S | S | * | * | | | | 0 | 110 | 0 | -146.5 | 167.5 | -170 | 0 | 0 | 107.9 | | |
| 2 | A | 41.1 | Very low | 43 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 53% | 0.529 | 70% | 0.695 | S | S | . | * | | | trans | -83.9 | 115.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R6 | A2-R6 PolarHBondContact O-NE 3.31Å; A2-R6 PolarHBondContact O-NH2 2.97Å |
| 3 | S | 53.9 | Low | 42.7 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -153.2 | -17.6 | 167.2 | -150.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 4 | Q | 45.8 | Very low | 42.6 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -84 | -36.5 | 178.7 | -130.2 | 150.3 | 63.2 | 0 | 0 | 112.7 | R6 V7 D8 | Q4-R6 PolarHBondContact O-N 3.41Å; Q4-R6 VanDerWaalsContact O-N 3.17Å; Q4-V7 PolarHBondContact O-N 3.03Å; Q4-D8 PolarHBondContact O-N 3.07Å |
| 5 | E | 37.5 | Very low | 42.6 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -61.1 | -28 | -177.4 | -172.6 | 174.1 | 80.6 | 0 | 0 | 113.8 | S9 | E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 3.49Å; E5-S9 PolarHBondContact O-OG 2.85Å |
| 6 | R | 48 | Very low | 42.8 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 60% | 0.596 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.2 | -16.7 | -177.3 | -7.8 | -174.6 | -177 | 173.5 | -0.1 | 113.6 | A2 Q4 V10 | A2-R6 PolarHBondContact O-NE 3.31Å; A2-R6 PolarHBondContact O-NH2 2.97Å; Q4-R6 PolarHBondContact O-N 3.41Å; Q4-R6 VanDerWaalsContact O-N 3.17Å; R6-V10 WeakPolarHBondContact O-CG2 3.41Å |
| 7 | V | 46.7 | Very low | 43.1 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -92.8 | -37.7 | -178.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | Q4 T11 | Q4-V7 PolarHBondContact O-N 3.03Å; V7-T11 PolarHBondContact O-OG1 3.34Å |
| 8 | D | 35.7 | Very low | 43.3 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 57% | 0.572 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.3 | -38.5 | 179 | -165.1 | -103.5 | 0 | 0 | 0 | 112.3 | Q4 V10 T11 K12 | Q4-D8 PolarHBondContact O-N 3.07Å; D8-V10 VanDerWaalsContact C-N 3.29Å; D8-V10 PolarHBondContact O-N 2.94Å; D8-T11 PolarHBondContact O-N 3.42Å; D8-K12 PolarHBondContact O-N 3.17Å |
| 9 | S | 39.1 | Very low | 43.2 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 52% | 0.517 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -67.3 | -23.3 | 177.4 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | E5 T11 | E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 3.49Å; E5-S9 PolarHBondContact O-OG 2.85Å; S9-T11 PolarHBondContact O-N 3.18Å |
| 10 | V | 44.8 | Very low | 43.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -72.3 | -19.6 | 170.9 | 167.6 | 0 | 0 | 0 | 0 | 112 | R6 D8 | R6-V10 WeakPolarHBondContact O-CG2 3.41Å; D8-V10 VanDerWaalsContact C-N 3.29Å; D8-V10 PolarHBondContact O-N 2.94Å |
| 11 | T | 46.7 | Very low | 43.3 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -101.1 | -22.7 | -168.6 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | V7 D8 S9 | V7-T11 PolarHBondContact O-OG1 3.34Å; D8-T11 PolarHBondContact O-N 3.42Å; S9-T11 PolarHBondContact O-N 3.18Å |
| 12 | K | 47.5 | Very low | 44.3 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 79% | 0.787 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -108.1 | -11.2 | -171.7 | -77.6 | -85.9 | -179.8 | 168.6 | 0 | 115.7 | D8 | D8-K12 PolarHBondContact O-N 3.17Å |
| 13 | G | 39.5 | Very low | 44.4 | Very low | 37 Ų | 37 | 131.7 Ų | 131.7 | 38% | 0.381 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -120.1 | 130.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 14 | T | 40.5 | Very low | 43.9 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 69% | 0.686 | S | S | * | * | | | trans | 76.9 | 118 | 161 | 19.6 | 0 | 0 | 0 | 0 | 117.8 | F16 | T14-F16 WeakPolarHBondContact O-CD2 3.44Å; T14-F16 PolarHBondContact O-N 3.48Å; T14-F16 VanDerWaalsContact O-N 3.07Å |
| 15 | G | 43.4 | Very low | 43.8 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 68% | 0.676 | S | S | * | * | | | trans | -57.3 | 109.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R17 | G15-R17 PolarHBondContact O-N 2.63Š|
| 16 | F | 46.1 | Very low | 44.2 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | | | trans | -74.3 | 68.4 | 165.7 | -83.5 | -92.3 | 0 | 0 | 0 | 110.1 | T14 R18 C19 | T14-F16 WeakPolarHBondContact O-CD2 3.44Å; T14-F16 PolarHBondContact O-N 3.48Å; T14-F16 VanDerWaalsContact O-N 3.07Å; F16-R18 VanDerWaalsContact C-N 3.26Å; F16-R18 PolarHBondContact O-N 2.95Å; F16-C19 HydrophobicContact CB-CB 4.49Å; F16-C19 HydrophobicContact CD1-CB 4.18Å |
| 17 | R | 47.9 | Very low | 44.4 | Very low | 230 Ų | 230 | 124 Ų | 124 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 95.6 | 157.7 | -163 | -179.4 | -169.7 | -133.6 | 4.8 | 105.7 | G15 | G15-R17 PolarHBondContact O-N 2.63Š|
| 18 | R | 46.7 | Very low | 44.1 | Very low | 225 Ų | 225 | 120.8 Ų | 120.8 | 85% | 0.849 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.2 | 59.5 | 178.5 | -54 | 176.4 | -177 | -172.4 | 1.7 | 116.4 | F16 | F16-R18 VanDerWaalsContact C-N 3.26Å; F16-R18 PolarHBondContact O-N 2.95Å |
| 19 | C | 39.8 | Very low | 44.6 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | | | trans | -128.2 | 103.2 | 148 | -94.8 | 0 | 0 | 0 | 0 | 109.1 | F16 | F16-C19 HydrophobicContact CB-CB 4.49Å; F16-C19 HydrophobicContact CD1-CB 4.18Å |
| 20 | R | 47.5 | Very low | 45 | Very low | 247 Ų | 247 | 117.8 Ų | 117.8 | 93% | 0.932 | 64% | 0.639 | S | S | * | * | | | trans | -75.4 | 127.7 | 167.6 | -116.6 | 177.9 | 178.2 | 173.5 | -1.1 | 107 | | |
| 21 | K | 40.8 | Very low | 45.3 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 56% | 0.557 | 64% | 0.64 | S | S | * | * | | | trans | 76.7 | 140.4 | 176.1 | -51.7 | -163.6 | -176.1 | -173.2 | 0 | 112.8 | F55 | K21-F55 VanDerWaalsContact CD-OXT 3.29Å; K21-F55 WeakPolarHBondContact CD-OXT 3.39Å; K21-F55 WeakPolarHBondContact CE-OXT 3.29Å; K21-F55 PolarHBondContact NZ-OXT 2.86Å |
| 22 | Q | 50.3 | Low | 45.3 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | | | cis | -156.4 | 125.8 | 27.6 | -123.3 | 144 | 51.7 | 0 | 0 | 106.4 | | |
| 23 | A | 43.8 | Very low | 45.4 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | | | | 70.5 | 105.2 | 106.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y25 | A23-Y25 PolarHBondContact O-N 3.07Š|
| 24 | G | 43.4 | Very low | 45.8 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 64% | 0.642 | S | S | * | * | | | trans | -50.6 | 99.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T26 | G24-T26 PolarHBondContact O-N 3.12Å; G24-T26 PolarHBondContact O-OG1 3.32Å |
| 25 | Y | 43.7 | Very low | 45.9 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 63% | 0.627 | 64% | 0.638 | S | S | * | * | | | trans | -75.6 | 76.6 | 161.6 | -127.5 | -89.6 | 0 | 0 | 0 | 105.2 | A23 P27 C30 | A23-Y25 PolarHBondContact O-N 3.07Å; Y25-P27 WeakPolarHBondContact O-CD 3.33Å; Y25-C30 WeakPolarHBondContact CD1-SG 3.39Å; Y25-C30 WeakPolarHBondContact CE1-SG 3.4Å |
| 26 | T | 45.7 | Very low | 46.2 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | | | trans | -58.1 | 123.3 | 177.6 | -26.4 | 0 | 0 | 0 | 0 | 106.4 | G24 G28 T29 | G24-T26 PolarHBondContact O-N 3.12Å; G24-T26 PolarHBondContact O-OG1 3.32Å; T26-G28 PolarHBondContact O-N 2.79Å; T26-T29 PolarHBondContact O-N 3.45Å |
| 27 | P | 51.8 | Low | 46.2 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.3 | -21.8 | -174.9 | 15.6 | -27.7 | 0 | 0 | 0 | 113.2 | Y25 T29 C30 E31 | Y25-P27 WeakPolarHBondContact O-CD 3.33Å; P27-T29 VanDerWaalsContact C-N 3.3Å; P27-T29 PolarHBondContact O-N 3.44Å; P27-C30 WeakPolarHBondContact O-CB 3.46Å; P27-C30 PolarHBondContact O-N 2.98Å; P27-C30 VanDerWaalsContact O-N 3.12Å; P27-E31 PolarHBondContact O-N 2.93Å |
| 28 | G | 40.9 | Very low | 46.1 | Very low | 37 Ų | 37 | 117.1 Ų | 117.1 | 38% | 0.381 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.6 | -30.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T26 L32 | T26-G28 PolarHBondContact O-N 2.79Å; G28-L32 PolarHBondContact O-N 2.91Å |
| 29 | T | 45.8 | Very low | 45.5 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 48% | 0.479 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.6 | -29.9 | 176.2 | -35.2 | 0 | 0 | 0 | 0 | 111.3 | T26 P27 L33 | T26-T29 PolarHBondContact O-N 3.45Å; P27-T29 VanDerWaalsContact C-N 3.3Å; P27-T29 PolarHBondContact O-N 3.44Å; T29-L33 HydrophobicContact CG2-CD1 4.45Å; T29-L33 WeakPolarHBondContact O-CB 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.15Å; T29-L33 PolarHBondContact O-N 2.64Å; T29-L33 VanDerWaalsContact O-N 3.1Å |
| 30 | C | 49.1 | Very low | 46 | Very low | 39 Ų | 39 | 116.9 Ų | 116.9 | 26% | 0.264 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.3 | -32.8 | 172.6 | -80.2 | 0 | 0 | 0 | 0 | 112.9 | Y25 P27 L33 R34 | Y25-C30 WeakPolarHBondContact CD1-SG 3.39Å; Y25-C30 WeakPolarHBondContact CE1-SG 3.4Å; P27-C30 WeakPolarHBondContact O-CB 3.46Å; P27-C30 PolarHBondContact O-N 2.98Å; P27-C30 VanDerWaalsContact O-N 3.12Å; C30-L33 PolarHBondContact O-N 3.48Å; C30-R34 WeakPolarHBondContact O-CB 3.32Å; C30-R34 VanDerWaalsContact O-CG 3.32Å; C30-R34 WeakPolarHBondContact O-CG 3.5Å; C30-R34 PolarHBondContact O-N 3.1Å |
| 31 | E | 50.2 | Low | 46 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.3 | -41.6 | 176.4 | -78 | -179.4 | 104.9 | 0 | 0 | 111.8 | P27 L33 R34 | P27-E31 PolarHBondContact O-N 2.93Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.26Å; E31-R34 PolarHBondContact O-N 3.34Å |
| 32 | L | 46.1 | Very low | 46.6 | Very low | 145 Ų | 145 | 107 Ų | 107 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -37.7 | 172.9 | -70.1 | 171.4 | 0 | 0 | 0 | 112.3 | G28 | G28-L32 PolarHBondContact O-N 2.91Å |
| 33 | L | 50.4 | Low | 46.6 | Very low | 76 Ų | 76 | 106.5 Ų | 106.5 | 40% | 0.398 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73 | -28.9 | 176.6 | -84.7 | 158.2 | 0 | 0 | 0 | 113.5 | T29 C30 E31 G35 Q36 C37 | T29-L33 HydrophobicContact CG2-CD1 4.45Å; T29-L33 WeakPolarHBondContact O-CB 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.15Å; T29-L33 PolarHBondContact O-N 2.64Å; T29-L33 VanDerWaalsContact O-N 3.1Å; C30-L33 PolarHBondContact O-N 3.48Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.26Å; L33-G35 PolarHBondContact O-N 3.19Å; L33-Q36 CarbonylContact O-C 3.56Å; L33-Q36 PolarHBondContact O-N 3.39Å; L33-Q36 VanDerWaalsContact O-N 3.13Å; L33-C37 WeakPolarHBondContact O-CB 3.44Å; L33-C37 PolarHBondContact O-N 2.66Å; L33-C37 PolarHBondContact O-SG 3.33Å; L33-C37 VanDerWaalsContact O-SG 3.34Å |
| 34 | R | 49.1 | Very low | 46.6 | Very low | 191 Ų | 191 | 113.2 Ų | 113.2 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -25 | 177.3 | -84.3 | 177.3 | -155.8 | -117.1 | 4.4 | 113.3 | C30 E31 | C30-R34 WeakPolarHBondContact O-CB 3.32Å; C30-R34 VanDerWaalsContact O-CG 3.32Å; C30-R34 WeakPolarHBondContact O-CG 3.5Å; C30-R34 PolarHBondContact O-N 3.1Å; E31-R34 PolarHBondContact O-N 3.34Å |
| 35 | G | 42.5 | Very low | 46.7 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -23.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L33 | L33-G35 PolarHBondContact O-N 3.19Š|
| 36 | Q | 49.7 | Very low | 47.1 | Very low | 177 Ų | 177 | 107.4 Ų | 107.4 | 83% | 0.827 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -3.1 | -179.5 | -112.3 | -160.7 | 97.1 | 0 | 0 | 114.7 | L33 I38 | L33-Q36 CarbonylContact O-C 3.56Å; L33-Q36 PolarHBondContact O-N 3.39Å; L33-Q36 VanDerWaalsContact O-N 3.13Å; Q36-I38 VanDerWaalsContact C-N 3.27Å; Q36-I38 PolarHBondContact O-N 3.28Å |
| 37 | C | 44.2 | Very low | 47.5 | Very low | 52 Ų | 52 | 111.9 Ų | 111.9 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | | | trans | -90.7 | 27.4 | 175.5 | -78.5 | 0 | 0 | 0 | 0 | 113 | L33 | L33-C37 WeakPolarHBondContact O-CB 3.44Å; L33-C37 PolarHBondContact O-N 2.66Å; L33-C37 PolarHBondContact O-SG 3.33Å; L33-C37 VanDerWaalsContact O-SG 3.34Å |
| 38 | I | 45.9 | Very low | 47.5 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | | | trans | -107 | 63.3 | 163.9 | -47.4 | -174.4 | 0 | 0 | 0 | 109.3 | Q36 | Q36-I38 VanDerWaalsContact C-N 3.27Å; Q36-I38 PolarHBondContact O-N 3.28Å |
| 39 | R | 36.1 | Very low | 47.9 | Very low | 239 Ų | 239 | 120.1 Ų | 120.1 | 90% | 0.902 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -158.1 | 73.7 | 140.8 | -155.2 | 167.2 | -93.3 | -147.2 | -3 | 109.9 | | |
| 40 | G | 49 | Very low | 48.4 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 44.1 | 91.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 41 | S | 48.4 | Very low | 48.3 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | | | trans | 176.7 | 32.1 | 145.1 | 35.1 | 0 | 0 | 0 | 0 | 114 | T43 | S41-T43 PolarHBondContact O-N 2.77Š|
| 42 | T | 53.8 | Low | 48.2 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | 72.2 | -168.1 | -41.1 | 0 | 0 | 0 | 0 | 113 | V46 | T42-V46 HydrophobicContact CG2-CG2 3.78Š|
| 43 | T | 49.6 | Very low | 48.5 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.7 | -36.3 | 150.1 | -22.4 | 0 | 0 | 0 | 0 | 111.7 | S41 R47 | S41-T43 PolarHBondContact O-N 2.77Å; T43-R47 WeakPolarHBondContact O-CB 3.28Å; T43-R47 PolarHBondContact O-N 3.13Å |
| 44 | R | 44.5 | Very low | 48.4 | Very low | 222 Ų | 222 | 121.2 Ų | 121.2 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.9 | -41 | 178.6 | -66.5 | -175.7 | -169.7 | -178.4 | 3.4 | 112.7 | V46 R47 F48 | R44-V46 PolarHBondContact O-N 3.34Å; R44-R47 PolarHBondContact O-N 2.99Å; R44-F48 WeakPolarHBondContact O-CB 3.4Å; R44-F48 PolarHBondContact O-N 3.09Å |
| 45 | A | 44 | Very low | 48.3 | Very low | 55 Ų | 55 | 119.2 Ų | 119.2 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.5 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | R47 F48 F49 | A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.46Å; A45-F48 PolarHBondContact O-N 3.32Å; A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.29Å |
| 46 | V | 53.4 | Low | 48.6 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 35% | 0.345 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.4 | -38.6 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | T42 R44 F49 L50 | T42-V46 HydrophobicContact CG2-CG2 3.78Å; R44-V46 PolarHBondContact O-N 3.34Å; V46-F49 PolarHBondContact O-N 3.45Å; V46-L50 HydrophobicContact CG1-CD1 4.25Å; V46-L50 PolarHBondContact O-N 3.29Å |
| 47 | R | 53.4 | Low | 48.5 | Very low | 184 Ų | 184 | 118.7 Ų | 118.7 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -38.4 | 175.6 | -163.7 | -175.4 | -69.5 | 176.5 | -3.4 | 111.8 | T43 R44 A45 K51 | T43-R47 WeakPolarHBondContact O-CB 3.28Å; T43-R47 PolarHBondContact O-N 3.13Å; R44-R47 PolarHBondContact O-N 2.99Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.46Å; R47-K51 VanDerWaalsContact O-CB 3.28Å; R47-K51 WeakPolarHBondContact O-CB 3.34Å; R47-K51 PolarHBondContact O-N 3.07Å; R47-K51 VanDerWaalsContact O-N 3.07Å |
| 48 | F | 50.8 | Low | 48.8 | Very low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -39.8 | 176.1 | -152.1 | -90.9 | 0 | 0 | 0 | 111.5 | R44 A45 K51 S52 | R44-F48 WeakPolarHBondContact O-CB 3.4Å; R44-F48 PolarHBondContact O-N 3.09Å; A45-F48 PolarHBondContact O-N 3.32Å; F48-K51 PolarHBondContact O-N 3.38Å; F48-S52 WeakPolarHBondContact O-CB 3.49Å; F48-S52 PolarHBondContact O-N 3.18Å |
| 49 | F | 49.5 | Very low | 49 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 61% | 0.605 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.8 | -45.3 | 177.5 | -164.9 | -101.4 | 0 | 0 | 0 | 112.2 | A45 V46 K51 S52 L53 | A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.29Å; V46-F49 PolarHBondContact O-N 3.45Å; F49-K51 VanDerWaalsContact C-N 3.34Å; F49-K51 PolarHBondContact O-N 3.45Å; F49-S52 PolarHBondContact O-N 2.9Å; F49-L53 HydrophobicContact CD1-CD1 3.57Å; F49-L53 HydrophobicContact CE1-CD1 3.28Å; F49-L53 HydrophobicContact CG-CD1 4.36Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 PolarHBondContact O-N 3.49Å; F49-L53 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 57.1 | Low | 49.8 | Very low | 66 Ų | 66 | 113.2 Ų | 113.2 | 35% | 0.346 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.4 | -38.7 | 174.1 | -101.9 | 71.1 | 0 | 0 | 0 | 112.5 | V46 L53 G54 F55 | V46-L50 HydrophobicContact CG1-CD1 4.25Å; V46-L50 PolarHBondContact O-N 3.29Å; L50-L53 PolarHBondContact O-N 3.36Å; L50-G54 PolarHBondContact O-N 3.26Å; L50-F55 PolarHBondContact O-N 3.5Å |
| 51 | K | 47.8 | Very low | 49.8 | Very low | 170 Ų | 170 | 116 Ų | 116 | 74% | 0.739 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -40.1 | 176.8 | -166.9 | 85.1 | 174.5 | 179.3 | 0 | 111.6 | R47 F48 F49 L53 G54 | R47-K51 VanDerWaalsContact O-CB 3.28Å; R47-K51 WeakPolarHBondContact O-CB 3.34Å; R47-K51 PolarHBondContact O-N 3.07Å; R47-K51 VanDerWaalsContact O-N 3.07Å; F48-K51 PolarHBondContact O-N 3.38Å; F49-K51 VanDerWaalsContact C-N 3.34Å; F49-K51 PolarHBondContact O-N 3.45Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 3.39Å; K51-G54 PolarHBondContact O-N 2.91Å |
| 52 | S | 46.6 | Very low | 49.9 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.8 | -26.4 | 178.5 | -158.2 | 0 | 0 | 0 | 0 | 112.9 | F48 F49 G54 | F48-S52 WeakPolarHBondContact O-CB 3.49Å; F48-S52 PolarHBondContact O-N 3.18Å; F49-S52 PolarHBondContact O-N 2.9Å; S52-G54 VanDerWaalsContact C-N 3.3Å |
| 53 | L | 53.9 | Low | 49.6 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | 0.2 | 172.7 | -80.3 | 156.7 | 0 | 0 | 0 | 113.5 | F49 L50 K51 F55 | F49-L53 HydrophobicContact CD1-CD1 3.57Å; F49-L53 HydrophobicContact CE1-CD1 3.28Å; F49-L53 HydrophobicContact CG-CD1 4.36Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 PolarHBondContact O-N 3.49Å; F49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.36Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 3.39Å; L53-F55 HydrophobicContact CB-CD2 3.96Å; L53-F55 HydrophobicContact CB-CE2 4.28Å |
| 54 | G | 47.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.9 | 22.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L50 K51 S52 | L50-G54 PolarHBondContact O-N 3.26Å; K51-G54 PolarHBondContact O-N 2.91Å; S52-G54 VanDerWaalsContact C-N 3.3Å |
| 55 | F | 46.9 | Very low | 50.1 | Low | 149 Ų | 149 | 113.7 Ų | 113.7 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | | | trans | -78.8 | 0 | 175 | -80.6 | -84.3 | 0 | 0 | 0 | 114.1 | K21 L50 L53 | K21-F55 VanDerWaalsContact CD-OXT 3.29Å; K21-F55 WeakPolarHBondContact CD-OXT 3.39Å; K21-F55 WeakPolarHBondContact CE-OXT 3.29Å; K21-F55 PolarHBondContact NZ-OXT 2.86Å; L50-F55 PolarHBondContact O-N 3.5Å; L53-F55 HydrophobicContact CB-CD2 3.96Å; L53-F55 HydrophobicContact CB-CE2 4.28Å |