| 1 | M | 53.2 | Low | 74.6 | Confident | 241 Ų | 241 | 109.7 Ų | 109.7 | 100% | 1.187 | 60% | 0.602 | S | S | * | * | | | | 0 | 93.8 | 0 | -62.6 | 172.8 | 103 | 0 | 0 | 105.7 | S3 | M1-S3 PolarHBondContact O-N 3.21Š|
| 2 | T | 58.2 | Low | 75.3 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 71% | 0.712 | 60% | 0.604 | S | S | * | * | | | trans | -66.6 | 119.2 | 175.9 | 45.4 | 0 | 0 | 0 | 0 | 106.9 | G4 E6 | T2-G4 PolarHBondContact O-N 2.85Å; T2-E6 WeakPolarHBondContact CA-OE2 3.36Å; T2-E6 WeakPolarHBondContact CB-OE2 3.17Å |
| 3 | S | 66.6 | Low | 75.4 | Confident | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 60% | 0.602 | S | S | . | * | | | trans | -59.9 | 138.4 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 107.8 | M1 N5 E6 | M1-S3 PolarHBondContact O-N 3.21Å; S3-N5 PolarHBondContact O-N 3.08Å; S3-E6 PolarHBondContact N-OE2 2.93Å; S3-E6 VanDerWaalsContact N-OE2 3.08Å; S3-E6 PolarHBondContact O-N 3.27Å |
| 4 | G | 71.5 | Confident | 75.6 | Confident | 57 Ų | 57 | 116.6 Ų | 116.6 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.6 | -19.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T2 F8 | T2-G4 PolarHBondContact O-N 2.85Å; G4-F8 PolarHBondContact O-N 3.43Å |
| 5 | N | 75.2 | Confident | 75.6 | Confident | 137 Ų | 137 | 117.3 Ų | 117.3 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -33.9 | 174.8 | -62 | -15.4 | 0 | 0 | 0 | 113.7 | S3 G9 | S3-N5 PolarHBondContact O-N 3.08Å; N5-G9 PolarHBondContact O-N 3.33Å |
| 6 | E | 78.8 | Confident | 75.7 | Confident | 112 Ų | 112 | 119.5 Ų | 119.5 | 52% | 0.523 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.3 | -42.8 | 177.6 | -69.6 | 173.4 | 133.7 | 0 | 0 | 110.8 | T2 S3 F8 G9 E10 | T2-E6 WeakPolarHBondContact CA-OE2 3.36Å; T2-E6 WeakPolarHBondContact CB-OE2 3.17Å; S3-E6 PolarHBondContact N-OE2 2.93Å; S3-E6 VanDerWaalsContact N-OE2 3.08Å; S3-E6 PolarHBondContact O-N 3.27Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.44Å; E6-G9 PolarHBondContact O-N 3.18Å; E6-G9 VanDerWaalsContact O-N 3.16Å; E6-E10 PolarHBondContact O-N 3.24Å |
| 7 | L | 81.6 | Confident | 75.1 | Confident | 88 Ų | 88 | 120.8 Ų | 120.8 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.2 | -43.5 | 177.6 | -176.1 | 65 | 0 | 0 | 0 | 111.1 | G9 E10 M11 | L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.33Å; L7-E10 PolarHBondContact O-N 3.01Å; L7-M11 HydrophobicContact CD1-CE 3.79Å; L7-M11 HydrophobicContact CD2-CE 3.92Å; L7-M11 HydrophobicContact CG-CE 3.67Å; L7-M11 HydrophobicContact CG-SD 4.45Å; L7-M11 WeakPolarHBondContact O-CG 3.43Å; L7-M11 PolarHBondContact O-N 3.24Å |
| 8 | F | 82.4 | Confident | 74.5 | Confident | 148 Ų | 148 | 126.1 Ų | 126.1 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -39.4 | 176 | -171.8 | -101.3 | 0 | 0 | 0 | 112 | G4 E6 K12 | G4-F8 PolarHBondContact O-N 3.43Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.44Å; F8-K12 WeakPolarHBondContact O-CB 3.34Å; F8-K12 PolarHBondContact O-N 3.45Å |
| 9 | G | 86.4 | Confident | 73.8 | Confident | 29 Ų | 29 | 123.8 Ų | 123.8 | 30% | 0.299 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.9 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | N5 E6 L7 K12 N13 | N5-G9 PolarHBondContact O-N 3.33Å; E6-G9 PolarHBondContact O-N 3.18Å; E6-G9 VanDerWaalsContact O-N 3.16Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.33Å; G9-K12 PolarHBondContact O-N 2.99Å; G9-N13 PolarHBondContact O-N 2.89Å |
| 10 | E | 83.2 | Confident | 73.1 | Confident | 116 Ų | 116 | 123.9 Ų | 123.9 | 54% | 0.542 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.4 | -46.7 | 177.6 | -169.4 | -172.7 | 165.7 | 0 | 0 | 111.8 | E6 L7 K12 N13 R14 | E6-E10 PolarHBondContact O-N 3.24Å; L7-E10 PolarHBondContact O-N 3.01Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 3.43Å; E10-N13 PolarHBondContact O-N 3.49Å; E10-R14 WeakPolarHBondContact O-CG 3.37Å; E10-R14 PolarHBondContact O-N 3.45Å |
| 11 | M | 83.8 | Confident | 72.5 | Confident | 102 Ų | 102 | 120.7 Ų | 120.7 | 50% | 0.502 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.6 | -43.3 | 177.6 | -71.4 | 179 | -177.3 | 0 | 0 | 112 | L7 R14 L15 | L7-M11 HydrophobicContact CD1-CE 3.79Å; L7-M11 HydrophobicContact CD2-CE 3.92Å; L7-M11 HydrophobicContact CG-CE 3.67Å; L7-M11 HydrophobicContact CG-SD 4.45Å; L7-M11 WeakPolarHBondContact O-CG 3.43Å; L7-M11 PolarHBondContact O-N 3.24Å; M11-R14 PolarHBondContact O-N 3.03Å; M11-L15 PolarHBondContact O-N 3.04Å |
| 12 | K | 82.5 | Confident | 72.7 | Confident | 143 Ų | 143 | 117.5 Ų | 117.5 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -41.2 | 176.5 | 176.9 | 179.6 | 157.2 | -176.8 | 0 | 112 | F8 G9 E10 L15 K16 | F8-K12 WeakPolarHBondContact O-CB 3.34Å; F8-K12 PolarHBondContact O-N 3.45Å; G9-K12 PolarHBondContact O-N 2.99Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 3.43Å; K12-L15 PolarHBondContact O-N 3.35Å; K12-K16 PolarHBondContact O-N 3.45Å |
| 13 | N | 77.1 | Confident | 72.8 | Confident | 108 Ų | 108 | 116.2 Ų | 116.2 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.5 | -41.3 | 175.9 | -80.8 | -19.8 | 0 | 0 | 0 | 112.1 | G9 E10 L15 K16 | G9-N13 PolarHBondContact O-N 2.89Å; E10-N13 PolarHBondContact O-N 3.49Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.44Å; N13-K16 PolarHBondContact O-N 3.16Å |
| 14 | R | 77.9 | Confident | 72.2 | Confident | 175 Ų | 175 | 120.3 Ų | 120.3 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.8 | -38.8 | 176.3 | -74.4 | 178.1 | 66.4 | -148.6 | -0.7 | 112.6 | E10 M11 | E10-R14 WeakPolarHBondContact O-CG 3.37Å; E10-R14 PolarHBondContact O-N 3.45Å; M11-R14 PolarHBondContact O-N 3.03Å |
| 15 | L | 75.9 | Confident | 71.5 | Confident | 126 Ų | 126 | 123.5 Ų | 123.5 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68 | -37.7 | 178.7 | -173.8 | 61.3 | 0 | 0 | 0 | 112.4 | M11 K12 N13 L17 R18 | M11-L15 PolarHBondContact O-N 3.04Å; K12-L15 PolarHBondContact O-N 3.35Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.44Å; L15-L17 PolarHBondContact O-N 3.28Å; L15-R18 PolarHBondContact O-N 3.4Å; L15-R18 VanDerWaalsContact O-N 3.07Å |
| 16 | K | 77.1 | Confident | 70.9 | Confident | 153 Ų | 153 | 125.2 Ų | 125.2 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.6 | -29.2 | -179.2 | -164.5 | 172.4 | -178.2 | -177.3 | 0 | 113.2 | K12 N13 R18 S19 | K12-K16 PolarHBondContact O-N 3.45Å; N13-K16 PolarHBondContact O-N 3.16Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 2.82Å; K16-S19 PolarHBondContact O-OG 3.27Å |
| 17 | L | 65.5 | Low | 69.8 | Low | 142 Ų | 142 | 128 Ų | 128 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -19.9 | 176.7 | -67.2 | 174.5 | 0 | 0 | 0 | 113.4 | L15 | L15-L17 PolarHBondContact O-N 3.28Š|
| 18 | R | 63.6 | Low | 68.6 | Low | 215 Ų | 215 | 129 Ų | 129 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -22.3 | -177.6 | -159.6 | 169.9 | 115.2 | 128.3 | -0.1 | 113.2 | L15 K16 | L15-R18 PolarHBondContact O-N 3.4Å; L15-R18 VanDerWaalsContact O-N 3.07Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 2.82Å |
| 19 | S | 62.2 | Low | 67.3 | Low | 84 Ų | 84 | 126.7 Ų | 126.7 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -80.9 | -18.1 | -175.7 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | K16 G21 | K16-S19 PolarHBondContact O-OG 3.27Å; S19-G21 PolarHBondContact O-N 2.68Å |
| 20 | T | 59.3 | Low | 65.8 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -87.3 | 16.1 | 179.8 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 21 | G | 60 | Low | 64.4 | Low | 57 Ų | 57 | 132.6 Ų | 132.6 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -98.9 | 0.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S19 S23 | S19-G21 PolarHBondContact O-N 2.68Å; G21-S23 VanDerWaalsContact C-N 3.27Å; G21-S23 PolarHBondContact O-N 2.71Å; G21-S23 VanDerWaalsContact O-N 3.08Å |
| 22 | H | 58.5 | Low | 63.2 | Low | 175 Ų | 175 | 135.7 Ų | 135.7 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | | | trans | -83.8 | 82.9 | 168.5 | -72.3 | -63.1 | 0 | 0 | 0 | 108.2 | D24 | H22-D24 PolarHBondContact O-N 3.07Š|
| 23 | S | 59 | Low | 61.9 | Low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | | | trans | -49.6 | 126.4 | 153.7 | 48.3 | 0 | 0 | 0 | 0 | 106.8 | G21 T25 | G21-S23 VanDerWaalsContact C-N 3.27Å; G21-S23 PolarHBondContact O-N 2.71Å; G21-S23 VanDerWaalsContact O-N 3.08Å; S23-T25 PolarHBondContact O-N 3.08Å; S23-T25 PolarHBondContact O-OG1 3.35Å |
| 24 | D | 55.7 | Low | 60.6 | Low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | | | trans | -52.4 | 90.9 | 162.3 | -63.3 | -57.2 | 0 | 0 | 0 | 106.8 | H22 K26 | H22-D24 PolarHBondContact O-N 3.07Å; D24-K26 PolarHBondContact O-N 3.06Å |
| 25 | T | 56.6 | Low | 59.4 | Low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | | | trans | -67.1 | 88.1 | 168.8 | -46.1 | 0 | 0 | 0 | 0 | 103.1 | S23 E27 | S23-T25 PolarHBondContact O-N 3.08Å; S23-T25 PolarHBondContact O-OG1 3.35Å; T25-E27 VanDerWaalsContact C-N 3.27Å; T25-E27 PolarHBondContact O-N 2.69Å |
| 26 | K | 61.4 | Low | 58 | Low | 173 Ų | 173 | 133.2 Ų | 133.2 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | trans | -48 | 108.5 | 160.5 | -66 | -69.7 | 179.8 | -178.5 | 0 | 103.3 | D24 S28 | D24-K26 PolarHBondContact O-N 3.06Å; K26-S28 PolarHBondContact O-N 2.85Å |
| 27 | E | 56.6 | Low | 56.7 | Low | 171 Ų | 171 | 129.8 Ų | 129.8 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | | | trans | -53.3 | 89.3 | 166 | -175.2 | -175.3 | 168.2 | 0 | 0 | 105.2 | T25 T29 | T25-E27 VanDerWaalsContact C-N 3.27Å; T25-E27 PolarHBondContact O-N 2.69Å; E27-T29 PolarHBondContact O-N 2.94Å |
| 28 | S | 56.7 | Low | 56.3 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | | | trans | -73.8 | 91.5 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 102.6 | K26 S30 | K26-S28 PolarHBondContact O-N 2.85Å; S28-S30 PolarHBondContact O-N 3.13Å |
| 29 | T | 54.7 | Low | 55.6 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | | | trans | -54.7 | 89.5 | 159.5 | -44.1 | 0 | 0 | 0 | 0 | 104.9 | E27 E31 | E27-T29 PolarHBondContact O-N 2.94Å; T29-E31 PolarHBondContact O-N 3.15Å |
| 30 | S | 55.7 | Low | 55 | Low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | trans | -68.9 | 95.8 | 170 | 74.7 | 0 | 0 | 0 | 0 | 104.3 | S28 M32 | S28-S30 PolarHBondContact O-N 3.13Å; S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 PolarHBondContact O-N 3.06Å |
| 31 | E | 53.6 | Low | 54.4 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -56.3 | 105.5 | 163.5 | -67.8 | -176.9 | 157.2 | 0 | 0 | 105.6 | T29 S33 | T29-E31 PolarHBondContact O-N 3.15Å; E31-S33 PolarHBondContact O-N 2.79Å |
| 32 | M | 57.4 | Low | 53.8 | Low | 167 Ų | 167 | 140.7 Ų | 140.7 | 82% | 0.823 | 74% | 0.744 | S | S | * | * | | | trans | -64.9 | 78.1 | 171.5 | -170.2 | 107.7 | 120.7 | 0 | 0 | 106.6 | S30 T34 | S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 PolarHBondContact O-N 3.06Å; M32-T34 VanDerWaalsContact C-N 3.29Å; M32-T34 PolarHBondContact O-N 2.72Å |
| 33 | S | 56.5 | Low | 53.6 | Low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -70 | 95.4 | 174.5 | -144.3 | 0 | 0 | 0 | 0 | 106.1 | E31 N35 | E31-S33 PolarHBondContact O-N 2.79Å; S33-N35 PolarHBondContact O-N 2.89Å |
| 34 | T | 49.6 | Very low | 53.6 | Low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | -66 | 78.1 | 170.3 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | M32 N36 | M32-T34 VanDerWaalsContact C-N 3.29Å; M32-T34 PolarHBondContact O-N 2.72Å; T34-N36 PolarHBondContact O-N 2.74Å |
| 35 | N | 51.8 | Low | 53.5 | Low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -64.2 | 93.8 | 165.6 | -72.2 | -51.8 | 0 | 0 | 0 | 106.6 | S33 S37 | S33-N35 PolarHBondContact O-N 2.89Å; N35-S37 PolarHBondContact O-N 2.86Å |
| 36 | N | 46 | Very low | 53.4 | Low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | -60.7 | 73.6 | 164.6 | -166.2 | 18.4 | 0 | 0 | 0 | 108 | T34 F38 | T34-N36 PolarHBondContact O-N 2.74Å; N36-F38 VanDerWaalsContact C-N 3.26Å |
| 37 | S | 51 | Low | 53.1 | Low | 82 Ų | 82 | 140.5 Ų | 140.5 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | | | trans | -99.2 | 35.5 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | N35 E39 | N35-S37 PolarHBondContact O-N 2.86Å; S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 VanDerWaalsContact O-N 3.11Å |
| 38 | F | 55.6 | Low | 53.2 | Low | 159 Ų | 159 | 138.8 Ų | 138.8 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -4.4 | 175.5 | -170.2 | -104.5 | 0 | 0 | 0 | 112.8 | N36 | N36-F38 VanDerWaalsContact C-N 3.26Š|
| 39 | E | 49.9 | Very low | 53.4 | Low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 15.9 | -179.2 | -64.3 | -155.2 | 136.7 | 0 | 0 | 116 | S37 | S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 VanDerWaalsContact O-N 3.11Å |
| 40 | Q | 50 | Low | 53.6 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | -121.3 | 21 | 170.1 | -67.1 | -167.4 | 46.3 | 0 | 0 | 114.6 | E42 | Q40-E42 PolarHBondContact O-N 3.15Š|
| 41 | Q | 46.5 | Very low | 54 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -76.3 | 75.2 | 155.3 | -77.9 | -167.8 | -10.4 | 0 | 0 | 109.9 | | |
| 42 | E | 47.4 | Very low | 54.3 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | -126.2 | 100.6 | 151.3 | -106.6 | -163.2 | 127.5 | 0 | 0 | 110 | Q40 | Q40-E42 PolarHBondContact O-N 3.15Š|
| 43 | L | 54.3 | Low | 54.4 | Low | 131 Ų | 131 | 137.2 Ų | 137.2 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | trans | 62.8 | 78.5 | 134 | -57.1 | 166.4 | 0 | 0 | 0 | 116.7 | | |
| 44 | S | 59 | Low | 54.7 | Low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -108.5 | 85.9 | 139 | -123.6 | 0 | 0 | 0 | 0 | 108.4 | Y46 | S44-Y46 PolarHBondContact O-N 3.11Å; S44-Y46 VanDerWaalsContact O-N 3.15Å |
| 45 | S | 53.4 | Low | 55.3 | Low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | -69.5 | 97.5 | 176 | -50.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 46 | Y | 53.5 | Low | 55.6 | Low | 205 Ų | 205 | 136.6 Ų | 136.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -105.5 | 115.1 | 160.3 | -78.6 | -79.4 | 0 | 0 | 0 | 108.6 | S44 T48 | S44-Y46 PolarHBondContact O-N 3.11Å; S44-Y46 VanDerWaalsContact O-N 3.15Å; Y46-T48 PolarHBondContact O-N 2.75Å; Y46-T48 VanDerWaalsContact O-N 3.13Å |
| 47 | D | 56.6 | Low | 56.2 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | trans | -49.7 | 112.4 | 173.7 | -72.1 | -56.7 | 0 | 0 | 0 | 111 | | |
| 48 | T | 58.6 | Low | 56.8 | Low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -135.1 | 80.1 | 152.6 | -44.5 | 0 | 0 | 0 | 0 | 107.5 | Y46 S50 | Y46-T48 PolarHBondContact O-N 2.75Å; Y46-T48 VanDerWaalsContact O-N 3.13Å; T48-S50 PolarHBondContact O-N 2.78Å |
| 49 | A | 60.2 | Low | 56.9 | Low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -59.2 | 125.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 50 | S | 59.1 | Low | 57.4 | Low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 75.2 | 86.7 | 149.9 | -57.6 | 0 | 0 | 0 | 0 | 119 | T48 | T48-S50 PolarHBondContact O-N 2.78Š|
| 51 | S | 63.6 | Low | 57.9 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | | -153.1 | 97.3 | 124.2 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | M53 | S51-M53 PolarHBondContact O-N 2.92Å; S51-M53 VanDerWaalsContact O-N 3.15Å |
| 52 | S | 59.5 | Low | 58.5 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -74.6 | 90.3 | 168.1 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 53 | M | 61 | Low | 59 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -91.1 | 97.2 | 156 | -112.5 | 168.1 | 67.7 | 0 | 0 | 106.5 | S51 A55 | S51-M53 PolarHBondContact O-N 2.92Å; S51-M53 VanDerWaalsContact O-N 3.15Å; M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 3.36Å |
| 54 | S | 62.7 | Low | 59.2 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -56.2 | 103.5 | 165.3 | 41 | 0 | 0 | 0 | 0 | 107.5 | N56 | S54-N56 PolarHBondContact O-N 3.36Š|
| 55 | A | 62.7 | Low | 59.1 | Low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 73.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | M53 S57 | M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 3.36Å; A55-S57 PolarHBondContact O-N 3.04Å |
| 56 | N | 56.9 | Low | 59.4 | Low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 65.7 | 148.6 | -85.2 | 11.3 | 0 | 0 | 0 | 106.7 | S54 S58 | S54-N56 PolarHBondContact O-N 3.36Å; N56-S58 VanDerWaalsContact C-N 3.27Å; N56-S58 PolarHBondContact O-N 3.25Å; N56-S58 VanDerWaalsContact O-N 3.11Å |
| 57 | S | 60 | Low | 59.6 | Low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -72.8 | 98.6 | 154.8 | 56.8 | 0 | 0 | 0 | 0 | 104.7 | A55 | A55-S57 PolarHBondContact O-N 3.04Š|
| 58 | S | 61.8 | Low | 59.7 | Low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | -40 | 138.6 | 161.3 | -81.2 | 0 | 0 | 0 | 0 | 108.7 | N56 R60 | N56-S58 VanDerWaalsContact C-N 3.27Å; N56-S58 PolarHBondContact O-N 3.25Å; N56-S58 VanDerWaalsContact O-N 3.11Å; S58-R60 PolarHBondContact O-N 2.89Å |
| 59 | P | 58.3 | Low | 59.8 | Low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -49.8 | 125.5 | 177.2 | 21.2 | -31 | 0 | 0 | 0 | 106.9 | S61 | P59-S61 PolarHBondContact O-N 3.18Š|
| 60 | R | 60.3 | Low | 59.8 | Low | 238 Ų | 238 | 130.4 Ų | 130.4 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | | | trans | -47.9 | 115 | 174.6 | -64.5 | -177.7 | 93.2 | 138.7 | 2.3 | 104.5 | S58 S62 | S58-R60 PolarHBondContact O-N 2.89Å; R60-S62 PolarHBondContact O-N 2.67Å |
| 61 | S | 61 | Low | 60.1 | Low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -42.7 | 118.7 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 105.2 | P59 I63 | P59-S61 PolarHBondContact O-N 3.18Å; S61-I63 PolarHBondContact O-N 3.26Å |
| 62 | S | 59.4 | Low | 60.3 | Low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | trans | -66.2 | 80 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 105.8 | R60 C64 | R60-S62 PolarHBondContact O-N 2.67Å; S62-C64 PolarHBondContact O-N 3.27Å |
| 63 | I | 57.9 | Low | 60.8 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 65% | 0.651 | 75% | 0.748 | S | S | * | * | | | trans | -67.9 | 52.2 | 149.4 | -165.7 | 147.1 | 0 | 0 | 0 | 107.3 | S61 D65 | S61-I63 PolarHBondContact O-N 3.26Å; I63-D65 VanDerWaalsContact O-CA 3.29Å; I63-D65 WeakPolarHBondContact O-CA 3.42Å; I63-D65 WeakPolarHBondContact O-CB 3.44Å; I63-D65 PolarHBondContact O-N 3.12Å |
| 64 | C | 58 | Low | 61.4 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | | | trans | -62 | 64.8 | 137.9 | -60.3 | 0 | 0 | 0 | 0 | 103.8 | S62 | S62-C64 PolarHBondContact O-N 3.27Š|
| 65 | D | 57.1 | Low | 61.7 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 54% | 0.54 | 72% | 0.724 | S | S | . | * | | | | 55.4 | 88.4 | 86.8 | -93.4 | -24.1 | 0 | 0 | 0 | 103.2 | I63 F67 | I63-D65 VanDerWaalsContact O-CA 3.29Å; I63-D65 WeakPolarHBondContact O-CA 3.42Å; I63-D65 WeakPolarHBondContact O-CB 3.44Å; I63-D65 PolarHBondContact O-N 3.12Å; D65-F67 HydrophobicContact CB-CD2 4.17Å; D65-F67 PolarHBondContact O-N 3.3Å |
| 66 | D | 60 | Low | 62.2 | Low | 138 Ų | 138 | 129.2 Ų | 129.2 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -54.1 | 53.9 | 174.6 | -162.7 | -23.7 | 0 | 0 | 0 | 110.8 | | |
| 67 | F | 58 | Low | 62.8 | Low | 173 Ų | 173 | 126 Ų | 126 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | | | trans | -99 | -3.5 | -174.1 | -109.5 | -82.7 | 0 | 0 | 0 | 112.2 | D65 | D65-F67 HydrophobicContact CB-CD2 4.17Å; D65-F67 PolarHBondContact O-N 3.3Å |
| 68 | E | 58.3 | Low | 63.2 | Low | 193 Ų | 193 | 126.3 Ų | 126.3 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -81.4 | -12.5 | 179.5 | -75.7 | -91.8 | 126.9 | 0 | 0 | 113.6 | | |
| 69 | Q | 59.7 | Low | 63.5 | Low | 165 Ų | 165 | 126.8 Ų | 126.8 | 77% | 0.771 | 68% | 0.683 | S | S | * | * | | | trans | -104.9 | -4.3 | -171.4 | -78.7 | -160.9 | 2 | 0 | 0 | 117.3 | E71 | Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 PolarHBondContact O-N 3.25Å |
| 70 | S | 61.6 | Low | 63.9 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78.8 | 87.1 | 168.4 | -68.5 | 0 | 0 | 0 | 0 | 108.5 | S72 | S70-S72 PolarHBondContact O-N 2.69Š|
| 71 | E | 65.3 | Low | 64 | Low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | | | trans | -38.5 | 109.7 | 162.9 | -85.3 | -177.4 | 147.2 | 0 | 0 | 107.5 | Q69 K73 | Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 PolarHBondContact O-N 3.25Å; E71-K73 PolarHBondContact O-N 3.06Å |
| 72 | S | 67.3 | Low | 64 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | | | trans | -65.6 | 89.2 | -179.9 | 52.4 | 0 | 0 | 0 | 0 | 107.3 | S70 T74 | S70-S72 PolarHBondContact O-N 2.69Å; S72-T74 PolarHBondContact O-N 2.86Å |
| 73 | K | 70.3 | Confident | 64 | Low | 162 Ų | 162 | 119 Ų | 119 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | | | trans | -54.9 | 115.3 | 171.2 | -76.7 | 170.4 | -179.7 | 138.3 | 0 | 106.6 | E71 | E71-K73 PolarHBondContact O-N 3.06Š|
| 74 | T | 72.9 | Confident | 64.1 | Low | 66 Ų | 66 | 119.7 Ų | 119.7 | 41% | 0.405 | 66% | 0.657 | S | S | . | * | | | trans | -67.5 | 150.8 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 107.8 | S72 S76 D77 | S72-T74 PolarHBondContact O-N 2.86Å; T74-S76 VanDerWaalsContact CB-OG 3.27Å; T74-S76 WeakPolarHBondContact CB-OG 3.01Å; T74-S76 PolarHBondContact O-N 2.8Å; T74-S76 PolarHBondContact OG1-OG 2.87Å; T74-D77 PolarHBondContact N-OD2 3.28Å; T74-D77 WeakPolarHBondContact O-CB 3.27Å; T74-D77 PolarHBondContact O-N 2.9Å; T74-D77 PolarHBondContact OG1-OD2 2.83Å |
| 75 | V | 69.5 | Low | 64.1 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.9 | -28.9 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | I78 L79 | V75-I78 PolarHBondContact O-N 3Å; V75-L79 HydrophobicContact CG1-CD1 4.34Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.87Å |
| 76 | S | 71.6 | Confident | 64.2 | Low | 70 Ų | 70 | 120.8 Ų | 120.8 | 49% | 0.49 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -58.8 | -40.9 | 171.5 | 21 | 0 | 0 | 0 | 0 | 114.3 | T74 I78 L79 L80 | T74-S76 VanDerWaalsContact CB-OG 3.27Å; T74-S76 WeakPolarHBondContact CB-OG 3.01Å; T74-S76 PolarHBondContact O-N 2.8Å; T74-S76 PolarHBondContact OG1-OG 2.87Å; S76-I78 PolarHBondContact O-N 2.74Å; S76-L79 PolarHBondContact O-N 2.7Å; S76-L80 PolarHBondContact O-N 3.05Å |
| 77 | D | 69.4 | Low | 63.9 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 43% | 0.428 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.7 | -33.6 | -179.7 | -59.2 | -45.2 | 0 | 0 | 0 | 111.4 | T74 | T74-D77 PolarHBondContact N-OD2 3.28Å; T74-D77 WeakPolarHBondContact O-CB 3.27Å; T74-D77 PolarHBondContact O-N 2.9Å; T74-D77 PolarHBondContact OG1-OD2 2.83Å |
| 78 | I | 69 | Low | 63.4 | Low | 108 Ų | 108 | 115.3 Ų | 115.3 | 55% | 0.554 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -40 | 178.4 | -58.5 | 173.8 | 0 | 0 | 0 | 110.8 | V75 S76 | V75-I78 PolarHBondContact O-N 3Å; S76-I78 PolarHBondContact O-N 2.74Å |
| 79 | L | 69 | Low | 63.1 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.7 | -30.4 | -177.4 | -66.7 | 175.8 | 0 | 0 | 0 | 112.8 | V75 S76 V81 S82 | V75-L79 HydrophobicContact CG1-CD1 4.34Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.87Å; S76-L79 PolarHBondContact O-N 2.7Å; L79-V81 PolarHBondContact O-N 2.79Å; L79-S82 WeakPolarHBondContact O-CB 3.29Å; L79-S82 PolarHBondContact O-N 3.11Å; L79-S82 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 65.2 | Low | 62.3 | Low | 107 Ų | 107 | 116.8 Ų | 116.8 | 56% | 0.56 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.8 | -30 | 178.2 | -96.7 | 158 | 0 | 0 | 0 | 113.5 | S76 S82 C83 | S76-L80 PolarHBondContact O-N 3.05Å; L80-S82 PolarHBondContact O-N 2.85Å; L80-C83 PolarHBondContact O-N 2.95Å |
| 81 | V | 62.9 | Low | 62.4 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.4 | -27.2 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | L79 | L79-V81 PolarHBondContact O-N 2.79Å |
| 82 | S | 60.7 | Low | 62.2 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.4 | -26 | -178 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | L79 L80 | L79-S82 WeakPolarHBondContact O-CB 3.29Å; L79-S82 PolarHBondContact O-N 3.11Å; L79-S82 VanDerWaalsContact O-N 3.12Å; L80-S82 PolarHBondContact O-N 2.85Å |
| 83 | C | 61.1 | Low | 61.9 | Low | 108 Ų | 108 | 114.7 Ų | 114.7 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.9 | -17.1 | -179.3 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | L80 | L80-C83 PolarHBondContact O-N 2.95Å |
| 84 | L | 58 | Low | 61.4 | Low | 142 Ų | 142 | 111.9 Ų | 111.9 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.9 | -12.7 | -178.6 | -75.3 | 170.1 | 0 | 0 | 0 | 113.7 | P86 | L84-P86 WeakPolarHBondContact O-CD 3.22Å; L84-P86 VanDerWaalsContact O-N 3.1Å |
| 85 | L | 60 | Low | 60.7 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 66% | 0.66 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -65.4 | 114.7 | 164.7 | -92.9 | 87.1 | 0 | 0 | 0 | 106.5 | T87 | L85-T87 PolarHBondContact O-N 2.67Š|
| 86 | P | 57.4 | Low | 60.1 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | | | trans | -55.8 | 125.8 | -178.2 | 22.4 | -30.8 | 0 | 0 | 0 | 106.7 | L84 G88 | L84-P86 WeakPolarHBondContact O-CD 3.22Å; L84-P86 VanDerWaalsContact O-N 3.1Å; P86-G88 PolarHBondContact O-N 2.88Å |
| 87 | T | 55.5 | Low | 59.3 | Low | 136 Ų | 136 | 118.4 Ų | 118.4 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | | | trans | -51.4 | 95.7 | 163.6 | 46.4 | 0 | 0 | 0 | 0 | 106.2 | L85 N89 | L85-T87 PolarHBondContact O-N 2.67Å; T87-N89 VanDerWaalsContact C-N 3.25Å; T87-N89 PolarHBondContact O-N 2.91Å |
| 88 | G | 47.2 | Very low | 58.5 | Low | 60 Ų | 60 | 121.4 Ų | 121.4 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | | | trans | -60.4 | 97.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P86 L90 | P86-G88 PolarHBondContact O-N 2.88Å; G88-L90 PolarHBondContact O-N 2.68Å |
| 89 | N | 50.8 | Low | 57.7 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | | | trans | -53.5 | 112.4 | 142.7 | -93.8 | 1.8 | 0 | 0 | 0 | 105 | T87 | T87-N89 VanDerWaalsContact C-N 3.25Å; T87-N89 PolarHBondContact O-N 2.91Å |
| 90 | L | 44.3 | Very low | 56.6 | Low | 237 Ų | 237 | 123.6 Ų | 123.6 | 100% | 1.241 | 74% | 0.736 | S | S | * | * | | | | 46.2 | 0 | 65.9 | -74.8 | 163.1 | 0 | 0 | 0 | 111.7 | G88 | G88-L90 PolarHBondContact O-N 2.68Š|