| 1 | M | 50.5 | Low | 78.9 | Confident | 240 Ų | 240 | 107.3 Ų | 107.3 | 100% | 1.182 | 63% | 0.626 | S | S | * | * | | | | 0 | 109.8 | 0 | -66.9 | -57.4 | -170.8 | 0 | 0 | 107 | G3 | M1-G3 PolarHBondContact O-N 3.48Š|
| 2 | A | 69.4 | Low | 79.8 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 3 | G | 70.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 108.1 Ų | 108.1 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 162.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 Q5 | M1-G3 PolarHBondContact O-N 3.48Å; G3-Q5 PolarHBondContact O-N 3.3Å; G3-Q5 VanDerWaalsContact O-N 3.11Å |
| 4 | P | 70.8 | Confident | 80.9 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.5 | 177.9 | 20.7 | -30.7 | 0 | 0 | 0 | 109.5 | | |
| 5 | Q | 79.6 | Confident | 81.6 | Confident | 131 Ų | 131 | 110.9 Ų | 110.9 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 142.8 | 176.2 | -57.8 | -80.1 | 6.1 | 0 | 0 | 107.9 | G3 L7 A8 L9 | G3-Q5 PolarHBondContact O-N 3.3Å; G3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-L7 PolarHBondContact O-N 2.85Å; Q5-A8 HydrophobicContact CB-CB 4.43Å; Q5-A8 WeakPolarHBondContact O-CB 3.36Å; Q5-A8 PolarHBondContact O-N 3.02Å; Q5-L9 PolarHBondContact O-N 3.11Å |
| 6 | P | 84.4 | Confident | 81.9 | Confident | 100 Ų | 100 | 111.4 Ų | 111.4 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -55.4 | -30.9 | -177.5 | 21.4 | -33 | 0 | 0 | 0 | 112.8 | L9 Q10 | P6-L9 PolarHBondContact O-N 2.91Å; P6-Q10 WeakPolarHBondContact O-CG 3.4Å; P6-Q10 PolarHBondContact O-N 3.05Å |
| 7 | L | 87.7 | Confident | 81.9 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -36.1 | 175.2 | -171 | 66.3 | 0 | 0 | 0 | 113.4 | Q5 L9 Q10 L11 | Q5-L7 PolarHBondContact O-N 2.85Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-Q10 PolarHBondContact O-N 3.17Å; L7-L11 PolarHBondContact O-N 3.37Å |
| 8 | A | 89.6 | Confident | 81.8 | Confident | 37 Ų | 37 | 117.3 Ų | 117.3 | 31% | 0.306 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.8 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q5 Q10 L11 E12 | Q5-A8 HydrophobicContact CB-CB 4.43Å; Q5-A8 WeakPolarHBondContact O-CB 3.36Å; Q5-A8 PolarHBondContact O-N 3.02Å; A8-Q10 VanDerWaalsContact C-N 3.34Å; A8-Q10 PolarHBondContact O-N 3.18Å; A8-L11 PolarHBondContact O-N 3.37Å; A8-E12 WeakPolarHBondContact O-CG 3.5Å; A8-E12 PolarHBondContact O-N 3.26Å |
| 9 | L | 86.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 117.7 Ų | 117.7 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 176.2 | -160.1 | 98.9 | 0 | 0 | 0 | 112.1 | Q5 P6 L7 Q13 | Q5-L9 PolarHBondContact O-N 3.11Å; P6-L9 PolarHBondContact O-N 2.91Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L9-Q13 WeakPolarHBondContact O-CG 3.35Å; L9-Q13 PolarHBondContact O-N 2.96Å; L9-Q13 PolarHBondContact O-NE2 3.15Å |
| 10 | Q | 88.8 | Confident | 81 | Confident | 114 Ų | 114 | 116.1 Ų | 116.1 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.2 | -40.8 | 175.6 | -71.3 | 175.2 | -21.4 | 0 | 0 | 111.6 | P6 L7 A8 Q13 L14 | P6-Q10 WeakPolarHBondContact O-CG 3.4Å; P6-Q10 PolarHBondContact O-N 3.05Å; L7-Q10 PolarHBondContact O-N 3.17Å; A8-Q10 VanDerWaalsContact C-N 3.34Å; A8-Q10 PolarHBondContact O-N 3.18Å; Q10-Q13 PolarHBondContact O-N 3.25Å; Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 3.46Å |
| 11 | L | 90.4 | Very high | 80.3 | Confident | 99 Ų | 99 | 120.4 Ų | 120.4 | 52% | 0.518 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -63.7 | -44.5 | 177.4 | -176.8 | 64.7 | 0 | 0 | 0 | 111.7 | L7 A8 Q13 L14 L15 | L7-L11 PolarHBondContact O-N 3.37Å; A8-L11 PolarHBondContact O-N 3.37Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.02Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-L14 VanDerWaalsContact O-N 3.17Å; L11-L15 HydrophobicContact CD1-CD1 4.18Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CD2-CD1 4.38Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.26Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.27Å |
| 12 | E | 89.2 | Confident | 81.2 | Confident | 110 Ų | 110 | 112.2 Ų | 112.2 | 51% | 0.514 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.4 | -38.7 | 177.1 | -74.8 | 173.1 | -168.4 | 0 | 0 | 112.5 | A8 N16 | A8-E12 WeakPolarHBondContact O-CG 3.5Å; A8-E12 PolarHBondContact O-N 3.26Å; E12-N16 PolarHBondContact O-N 2.86Å |
| 13 | Q | 86.9 | Confident | 81.1 | Confident | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.9 | -36.5 | 175.9 | -73.6 | 166 | 71.2 | 0 | 0 | 112.8 | L9 Q10 L11 N16 P17 | L9-Q13 WeakPolarHBondContact O-CG 3.35Å; L9-Q13 PolarHBondContact O-N 2.96Å; L9-Q13 PolarHBondContact O-NE2 3.15Å; Q10-Q13 PolarHBondContact O-N 3.25Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.02Å; Q13-N16 CarbonylContact O-C 3.35Å; Q13-P17 WeakPolarHBondContact O-CA 3.48Å |
| 14 | L | 88.8 | Confident | 81 | Confident | 140 Ų | 140 | 114.3 Ų | 114.3 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.2 | -35.6 | 178.2 | -71.5 | 173.6 | 0 | 0 | 0 | 112.9 | Q10 L11 N16 P17 | Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-L14 VanDerWaalsContact O-N 3.17Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-P17 WeakPolarHBondContact O-CD 3.35Å |
| 15 | L | 91.6 | Very high | 81 | Confident | 118 Ų | 118 | 117.2 Ų | 117.2 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73 | -29.4 | 177.5 | -70.8 | 175.1 | 0 | 0 | 0 | 112.1 | L11 P17 | L11-L15 HydrophobicContact CD1-CD1 4.18Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CD2-CD1 4.38Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.26Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.27Å; L15-P17 VanDerWaalsContact C-CD 3.48Å |
| 16 | N | 85.9 | Confident | 80.6 | Confident | 120 Ų | 120 | 114.3 Ų | 114.3 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -126.3 | 69.7 | 177.3 | -60 | -68.1 | 0 | 0 | 0 | 110 | E12 Q13 L14 R18 | E12-N16 PolarHBondContact O-N 2.86Å; Q13-N16 CarbonylContact O-C 3.35Å; L14-N16 VanDerWaalsContact C-N 3.33Å; N16-R18 PolarHBondContact O-N 3.47Å; N16-R18 VanDerWaalsContact O-N 3.15Å |
| 17 | P | 82.3 | Confident | 80.1 | Confident | 99 Ų | 99 | 112.4 Ų | 112.4 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -61 | 124 | 175.3 | 27.2 | -31.8 | 0 | 0 | 0 | 107.7 | Q13 L14 L15 | Q13-P17 WeakPolarHBondContact O-CA 3.48Å; L14-P17 WeakPolarHBondContact O-CD 3.35Å; L15-P17 VanDerWaalsContact C-CD 3.48Å |
| 18 | R | 80 | Confident | 79.2 | Confident | 229 Ų | 229 | 111.7 Ų | 111.7 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 138.4 | 171.6 | -68.7 | -174.4 | -178.2 | 169.7 | 1.5 | 107.7 | N16 S20 | N16-R18 PolarHBondContact O-N 3.47Å; N16-R18 VanDerWaalsContact O-N 3.15Å; R18-S20 PolarHBondContact O-N 3.15Å; R18-S20 VanDerWaalsContact O-N 3.15Å |
| 19 | P | 75.8 | Confident | 78.3 | Confident | 125 Ų | 125 | 118.5 Ų | 118.5 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 125.9 | 167.2 | -11.3 | 20 | 0 | 0 | 0 | 108 | | |
| 20 | S | 72.3 | Confident | 77.2 | Confident | 85 Ų | 85 | 121.1 Ų | 121.1 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.8 | 169.1 | 174.1 | 0 | 0 | 0 | 0 | 108 | R18 A22 | R18-S20 PolarHBondContact O-N 3.15Å; R18-S20 VanDerWaalsContact O-N 3.15Å; S20-A22 VanDerWaalsContact CB-O 3.22Å; S20-A22 WeakPolarHBondContact CB-O 3.42Å; S20-A22 PolarHBondContact O-N 2.73Å; S20-A22 PolarHBondContact OG-N 3.38Å; S20-A22 PolarHBondContact OG-O 3.31Å |
| 21 | E | 66.3 | Low | 76.3 | Confident | 208 Ų | 208 | 118.5 Ų | 118.5 | 97% | 0.972 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -64 | -29.3 | 173.8 | -68.7 | -179.7 | -178.7 | 0 | 0 | 111.5 | | |
| 22 | A | 67.6 | Low | 75.3 | Confident | 68 Ų | 68 | 120.5 Ų | 120.5 | 56% | 0.562 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -91.1 | 109.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | S20 P24 | S20-A22 VanDerWaalsContact CB-O 3.22Å; S20-A22 WeakPolarHBondContact CB-O 3.42Å; S20-A22 PolarHBondContact O-N 2.73Å; S20-A22 PolarHBondContact OG-N 3.38Å; S20-A22 PolarHBondContact OG-O 3.31Å; A22-P24 WeakPolarHBondContact O-CD 3.22Å |
| 23 | D | 69 | Low | 74.5 | Confident | 86 Ų | 86 | 119.8 Ų | 119.8 | 46% | 0.46 | 67% | 0.672 | S | S | . | * | | | trans | -65.3 | 119.7 | 163 | -175.2 | -6.2 | 0 | 0 | 0 | 107.4 | E25 A26 | D23-E25 PolarHBondContact O-N 2.91Å; D23-E25 VanDerWaalsContact O-N 3.15Å; D23-E25 WeakPolarHBondContact OD1-CB 3.48Å; D23-E25 PolarHBondContact OD1-N 2.96Å; D23-A26 HydrophobicContact CB-CB 3.91Å; D23-A26 WeakPolarHBondContact O-CB 3.34Å; D23-A26 PolarHBondContact O-N 3.15Å |
| 24 | P | 68.5 | Low | 74 | Confident | 104 Ų | 104 | 119 Ų | 119 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -57.7 | -23.4 | 175.3 | 24.6 | -34 | 0 | 0 | 0 | 112.4 | A22 A26 | A22-P24 WeakPolarHBondContact O-CD 3.22Å; P24-A26 VanDerWaalsContact C-N 3.32Å |
| 25 | E | 69 | Low | 73.5 | Confident | 159 Ų | 159 | 123.1 Ų | 123.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -81.8 | -7.4 | 174.4 | -58.5 | -168.7 | 139.2 | 0 | 0 | 113.7 | D23 D27 | D23-E25 PolarHBondContact O-N 2.91Å; D23-E25 VanDerWaalsContact O-N 3.15Å; D23-E25 WeakPolarHBondContact OD1-CB 3.48Å; D23-E25 PolarHBondContact OD1-N 2.96Å; E25-D27 PolarHBondContact O-N 3.41Å |
| 26 | A | 71.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 124.2 Ų | 124.2 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -83.4 | 6.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | D23 P24 P28 | D23-A26 HydrophobicContact CB-CB 3.91Å; D23-A26 WeakPolarHBondContact O-CB 3.34Å; D23-A26 PolarHBondContact O-N 3.15Å; P24-A26 VanDerWaalsContact C-N 3.32Å; A26-P28 VanDerWaalsContact O-CD 3.26Å; A26-P28 WeakPolarHBondContact O-CD 3.26Å |
| 27 | D | 74.8 | Confident | 72.9 | Confident | 60 Ų | 60 | 122.9 Ų | 122.9 | 32% | 0.321 | 69% | 0.694 | S | S | . | * | | | trans | -62.4 | 115.5 | 170.9 | -168.5 | -20.8 | 0 | 0 | 0 | 109.4 | E25 E29 E30 A31 | E25-D27 PolarHBondContact O-N 3.41Å; D27-E29 PolarHBondContact O-N 2.9Å; D27-E29 VanDerWaalsContact OD1-CB 3.29Å; D27-E29 WeakPolarHBondContact OD1-CB 3.29Å; D27-E29 PolarHBondContact OD1-N 3.01Å; D27-E30 HydrophobicContact CB-CB 4.26Å; D27-E30 HydrophobicContact CB-CG 4.33Å; D27-E30 PolarHBondContact O-N 2.98Å; D27-E30 VanDerWaalsContact O-N 3.1Å; D27-A31 PolarHBondContact O-N 3.1Å |
| 28 | P | 67.6 | Low | 72.9 | Confident | 111 Ų | 111 | 126.2 Ų | 126.2 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -19.9 | 177.2 | 28 | -36.1 | 0 | 0 | 0 | 112.9 | A26 | A26-P28 VanDerWaalsContact O-CD 3.26Å; A26-P28 WeakPolarHBondContact O-CD 3.26Å |
| 29 | E | 71.3 | Confident | 73.2 | Confident | 180 Ų | 180 | 125.6 Ų | 125.6 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -32.2 | 174.9 | -59.4 | -173.8 | -178.5 | 0 | 0 | 112.1 | D27 | D27-E29 PolarHBondContact O-N 2.9Å; D27-E29 VanDerWaalsContact OD1-CB 3.29Å; D27-E29 WeakPolarHBondContact OD1-CB 3.29Å; D27-E29 PolarHBondContact OD1-N 3.01Å |
| 30 | E | 63.5 | Low | 73.5 | Confident | 144 Ų | 144 | 127.7 Ų | 127.7 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -4.2 | 174.8 | -61.1 | -163.1 | 171.6 | 0 | 0 | 113.3 | D27 T32 | D27-E30 HydrophobicContact CB-CB 4.26Å; D27-E30 HydrophobicContact CB-CG 4.33Å; D27-E30 PolarHBondContact O-N 2.98Å; D27-E30 VanDerWaalsContact O-N 3.1Å; E30-T32 PolarHBondContact O-N 3.18Å |
| 31 | A | 70 | Confident | 73.9 | Confident | 59 Ų | 59 | 130.8 Ų | 130.8 | 49% | 0.488 | 71% | 0.711 | S | S | . | * | | | trans | -61.5 | 107.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D27 A33 | D27-A31 PolarHBondContact O-N 3.1Å; A31-A33 PolarHBondContact O-N 3.4Å |
| 32 | T | 69.8 | Low | 74.2 | Confident | 140 Ų | 140 | 129.9 Ų | 129.9 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | | | trans | -67.8 | 95.7 | 173 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | E30 A34 | E30-T32 PolarHBondContact O-N 3.18Å; T32-A34 VanDerWaalsContact C-N 3.34Å; T32-A34 PolarHBondContact O-N 2.83Å |
| 33 | A | 72.9 | Confident | 74.3 | Confident | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -74.3 | 82.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A31 | A31-A33 PolarHBondContact O-N 3.4Š|
| 34 | A | 76.4 | Confident | 74.1 | Confident | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T32 | T32-A34 VanDerWaalsContact C-N 3.34Å; T32-A34 PolarHBondContact O-N 2.83Å |
| 35 | R | 77.1 | Confident | 73.9 | Confident | 228 Ų | 228 | 135.2 Ų | 135.2 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 130.6 | 175.7 | -59.9 | -178.5 | 76 | 175.3 | 3.3 | 109.2 | I37 | R35-I37 PolarHBondContact O-N 3.44Š|
| 36 | V | 82.6 | Confident | 73.5 | Confident | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 123.5 | 169.8 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 37 | I | 82.8 | Confident | 73 | Confident | 92 Ų | 92 | 136 Ų | 136 | 47% | 0.472 | 74% | 0.738 | S | S | . | * | | | trans | -107.7 | 134.4 | 173.7 | 57 | 172.1 | 0 | 0 | 0 | 109.6 | R35 R39 F40 | R35-I37 PolarHBondContact O-N 3.44Å; I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.9Å; I37-F40 HydrophobicContact CD1-CD1 3.59Å; I37-F40 HydrophobicContact CD1-CE1 3.73Å; I37-F40 HydrophobicContact CD1-CG 4.02Å; I37-F40 HydrophobicContact CD1-CZ 4.27Å; I37-F40 HydrophobicContact CG1-CD1 4.49Å; I37-F40 HydrophobicContact CG1-CE1 4.3Å; I37-F40 HydrophobicContact CG1-CZ 4.37Å |
| 38 | D | 81.8 | Confident | 72.2 | Confident | 170 Ų | 170 | 136.3 Ų | 136.3 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -69.7 | -25.7 | -176.3 | -66 | -32.6 | 0 | 0 | 0 | 112.7 | | |
| 39 | R | 85.9 | Confident | 71.9 | Confident | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -153.1 | 137.1 | 176.6 | -174.1 | 177.8 | -69.9 | -175.9 | -2.1 | 109.5 | I37 | I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.9Å |
| 40 | F | 82.1 | Confident | 71.6 | Confident | 168 Ų | 168 | 131.9 Ų | 131.9 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | | | trans | -74.1 | 137 | 169.7 | -67 | -92.7 | 0 | 0 | 0 | 109.2 | I37 E42 | I37-F40 HydrophobicContact CD1-CD1 3.59Å; I37-F40 HydrophobicContact CD1-CE1 3.73Å; I37-F40 HydrophobicContact CD1-CG 4.02Å; I37-F40 HydrophobicContact CD1-CZ 4.27Å; I37-F40 HydrophobicContact CG1-CD1 4.49Å; I37-F40 HydrophobicContact CG1-CE1 4.3Å; I37-F40 HydrophobicContact CG1-CZ 4.37Å; F40-E42 PolarHBondContact O-N 3.01Å |
| 41 | D | 81 | Confident | 71.5 | Confident | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -71.3 | 119.3 | 168.5 | -163.5 | 6.7 | 0 | 0 | 0 | 108.3 | G43 | D41-G43 PolarHBondContact O-N 3.34Š|
| 42 | E | 73.8 | Confident | 71.2 | Confident | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -82.4 | 77 | 173.7 | -172.6 | 166.9 | -135.4 | 0 | 0 | 105.4 | F40 E44 | F40-E42 PolarHBondContact O-N 3.01Å; E42-E44 PolarHBondContact O-N 2.95Å |
| 43 | G | 68.3 | Low | 71.1 | Confident | 53 Ų | 53 | 141.1 Ų | 141.1 | 55% | 0.546 | 75% | 0.748 | S | S | . | * | | | trans | -38.4 | 127.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D41 D45 | D41-G43 PolarHBondContact O-N 3.34Å; G43-D45 PolarHBondContact O-N 3.28Å |
| 44 | E | 64.9 | Low | 70.7 | Confident | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -46.6 | 113.5 | 175.5 | -172.2 | 166.2 | -157.9 | 0 | 0 | 107.9 | E42 G46 | E42-E44 PolarHBondContact O-N 2.95Å; E44-G46 PolarHBondContact O-N 2.64Å |
| 45 | D | 65.6 | Low | 69.9 | Low | 137 Ų | 137 | 148.3 Ų | 148.3 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -61.3 | 93.9 | 172.8 | 51.6 | -32.5 | 0 | 0 | 0 | 105.8 | G43 E47 | G43-D45 PolarHBondContact O-N 3.28Å; D45-E47 PolarHBondContact O-N 2.76Å |
| 46 | G | 59.8 | Low | 69.6 | Low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -59.4 | 83.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109 | E44 G48 | E44-G46 PolarHBondContact O-N 2.64Å; G46-G48 PolarHBondContact O-N 2.8Å |
| 47 | E | 62.2 | Low | 68.9 | Low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -75.1 | 54 | 169.9 | -158.3 | 176.3 | -162.3 | 0 | 0 | 108.5 | D45 S49 | D45-E47 PolarHBondContact O-N 2.76Å; E47-S49 PolarHBondContact O-N 2.75Å |
| 48 | G | 57.5 | Low | 68.1 | Low | 68 Ų | 68 | 147.5 Ų | 147.5 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -91.2 | 60.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | G46 N50 | G46-G48 PolarHBondContact O-N 2.8Å; G48-N50 PolarHBondContact O-N 3.41Å |
| 49 | S | 60.8 | Low | 67.3 | Low | 69 Ų | 69 | 146.2 Ų | 146.2 | 48% | 0.483 | 77% | 0.77 | S | S | . | * | | | trans | -61.2 | 83.5 | 168.4 | -76 | 0 | 0 | 0 | 0 | 109.6 | E47 Y51 | E47-S49 PolarHBondContact O-N 2.75Å; S49-Y51 VanDerWaalsContact CB-CE1 3.41Å; S49-Y51 WeakPolarHBondContact OG-CE1 3.2Å |
| 50 | N | 64.4 | Low | 66.2 | Low | 129 Ų | 129 | 141.8 Ų | 141.8 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | trans | -109.3 | 40.6 | 165.2 | -156.8 | -8.4 | 0 | 0 | 0 | 110.3 | G48 K52 | G48-N50 PolarHBondContact O-N 3.41Å; N50-K52 PolarHBondContact O-N 2.99Å |
| 51 | Y | 61.8 | Low | 65.1 | Low | 186 Ų | 186 | 140.1 Ų | 140.1 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | | | trans | -67.6 | 94.7 | 151.3 | 49.1 | -92.5 | 0 | 0 | 0 | 106 | S49 K53 | S49-Y51 VanDerWaalsContact CB-CE1 3.41Å; S49-Y51 WeakPolarHBondContact OG-CE1 3.2Å; Y51-K53 PolarHBondContact O-N 2.83Å |
| 52 | K | 64.8 | Low | 64 | Low | 171 Ų | 171 | 139.4 Ų | 139.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -50.3 | 115.8 | 163.5 | -75.5 | -168.2 | 174.4 | -177.4 | 0 | 106.6 | N50 L54 | N50-K52 PolarHBondContact O-N 2.99Å; K52-L54 PolarHBondContact O-N 2.94Å |
| 53 | K | 66.6 | Low | 63.2 | Low | 179 Ų | 179 | 135.5 Ų | 135.5 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | | | trans | -44.8 | 102.1 | 169.3 | 179.9 | 165.2 | -177.3 | 173.2 | 0 | 107.8 | Y51 C55 | Y51-K53 PolarHBondContact O-N 2.83Å; K53-C55 VanDerWaalsContact C-N 3.26Å; K53-C55 VanDerWaalsContact CE-SG 3.51Å; K53-C55 HydrophobicContact CG-CB 4.23Å; K53-C55 WeakPolarHBondContact CG-SG 3.43Å; K53-C55 PolarHBondContact O-N 2.96Å |
| 54 | L | 65.7 | Low | 62.8 | Low | 177 Ų | 177 | 142.4 Ų | 142.4 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | | | trans | -74.5 | 90.2 | 174.3 | -136.7 | 79.4 | 0 | 0 | 0 | 105.3 | K52 | K52-L54 PolarHBondContact O-N 2.94Š|
| 55 | C | 59.6 | Low | 62.6 | Low | 168 Ų | 168 | 138.9 Ų | 138.9 | 100% | 1.135 | 77% | 0.77 | S | S | * | * | | | trans | -130.1 | 0 | 171.5 | -69.9 | 0 | 0 | 0 | 0 | 107.5 | K53 | K53-C55 VanDerWaalsContact C-N 3.26Å; K53-C55 VanDerWaalsContact CE-SG 3.51Å; K53-C55 HydrophobicContact CG-CB 4.23Å; K53-C55 WeakPolarHBondContact CG-SG 3.43Å; K53-C55 PolarHBondContact O-N 2.96Å |