| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 42.9 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 100% | 1.153 | 83% | 0.828 | S | S | * | * | 0 | 122.7 | 0 | -87.6 | 158.8 | 153.7 | 0 | 0 | 107.8 | |||||
| 2 | T | 39.9 | Very low | 42.4 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 61.4 | 130.2 | 155.5 | 57.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3 | K | 42.7 | Very low | 42.3 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | cis | -151.6 | 132.1 | 15.1 | -60.9 | 179.5 | 172.9 | 173.9 | 0 | 107.8 | ||||
| 4 | S | 47.9 | Very low | 43.7 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | 52.1 | 112.5 | 84.7 | -58.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 5 | Y | 40.2 | Very low | 43.6 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -166.7 | 135.5 | 112.3 | -122.3 | -95.9 | 0 | 0 | 0 | 112.5 | |||||
| 6 | S | 47 | Very low | 44.1 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | -64 | 166.6 | 166 | -37.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | E | 45.2 | Very low | 43.7 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | 173.2 | 152.9 | 62.8 | -151.5 | -172.2 | 97.5 | 0 | 0 | 109.3 | |||||
| 8 | S | 42.5 | Very low | 43.8 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 45.1 | 141.6 | 141.2 | 54.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 9 | G | 37.8 | Very low | 43.9 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | 162.5 | 151.3 | 6.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | L | 42.9 | Very low | 44.1 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | 69.8 | 111.2 | 144.8 | -122.7 | 91.7 | 0 | 0 | 0 | 122.7 | ||||
| 11 | M | 45.9 | Very low | 43.8 | Very low | 178 Ų | 178 | 138 Ų | 138 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | 63.3 | 120.8 | 128.8 | -78 | -97.3 | -175.4 | 0 | 0 | 122.3 | |||||
| 12 | G | 37.7 | Very low | 43.5 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -179 | 102.4 | 157 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | E | 40.7 | Very low | 43.5 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -86.4 | 179.8 | -178.6 | -140.6 | -156.7 | 124.4 | 0 | 0 | 111.8 | ||||
| 14 | P | 61.5 | Low | 43.5 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | -129.7 | -173 | -82.6 | 42.2 | -27.7 | 0 | 0 | 0 | 116.5 | |||||
| 15 | Q | 43.3 | Very low | 43.4 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 109.1 | 151.5 | 142.3 | -156.8 | 172.4 | -1.8 | 0 | 0 | 118.3 | ||||
| 16 | P | 51 | Low | 43.1 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -120.1 | 170.1 | -38.4 | 31.3 | -15.2 | 0 | 0 | 0 | 113.8 | ||||
| 17 | Q | 36.6 | Very low | 43 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -75.8 | 149.8 | -180 | -57.2 | -175.8 | -9 | 0 | 0 | 114.3 | ||||
| 18 | G | 45.6 | Very low | 42.4 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -140.9 | 140.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 19 | P | 47.3 | Very low | 42.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -115.7 | 144.2 | 161 | 34.5 | -24.4 | 0 | 0 | 0 | 111.9 | ||||
| 20 | P | 47.7 | Very low | 42.5 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -96.2 | 155.8 | 175.1 | 37.3 | -31.6 | 0 | 0 | 0 | 112.7 | ||||
| 21 | S | 36.7 | Very low | 42.5 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | 55.9 | 133.3 | 137.2 | -152.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 22 | W | 33.5 | Very low | 42.6 | Very low | 229 Ų | 229 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | -169.9 | 148.3 | 54.7 | -72.3 | 80.9 | 0 | 0 | 0 | 105 | |||||
| 23 | T | 40 | Very low | 42.9 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -171.5 | 134.3 | 66.6 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 24 | D | 43.3 | Very low | 43 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -48.6 | 154.6 | 149.1 | -92.6 | -80.2 | 0 | 0 | 0 | 111.5 | ||||
| 25 | E | 44.8 | Very low | 42.2 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | cis | -169.2 | 142.5 | 35.8 | -125.9 | 175.9 | 135.4 | 0 | 0 | 106.7 | ||||
| 26 | C | 35.1 | Very low | 42.3 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | -177.9 | 125.9 | 139.7 | -109.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | L | 44.6 | Very low | 42.1 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -78.4 | 159.5 | -171.5 | -66.1 | 163.7 | 0 | 0 | 0 | 114.3 | ||||
| 28 | S | 31.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 94.4 | 109.7 | 154.9 | -160.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 29 | S | 38.3 | Very low | 42.9 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | 178.7 | 125.4 | 102.2 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 30 | Q | 45.8 | Very low | 43.1 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -116.2 | 84.8 | -173 | -178 | 174.1 | 34.9 | 0 | 0 | 106.2 | ||||
| 31 | D | 43.1 | Very low | 43.2 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -153.7 | 22.5 | -173 | -86.6 | -45.4 | 0 | 0 | 0 | 114.7 | ||||
| 32 | E | 46.3 | Very low | 43.8 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -117.1 | -1.8 | -177.4 | -71.5 | -86.7 | 144.7 | 0 | 0 | 114.4 | ||
| 33 | E | 44 | Very low | 44.7 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -101.7 | 3.7 | -173.6 | 52.9 | -168.2 | 155.1 | 0 | 0 | 115.1 | ||
| 34 | H | 44.4 | Very low | 45.4 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -106.6 | -1.7 | -177.5 | -125 | 63.6 | 0 | 0 | 0 | 115.7 | ||
| 35 | E | 44.2 | Very low | 45.9 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -102.6 | -10.9 | -178.4 | -89.2 | -70.6 | 151 | 0 | 0 | 114 | ||
| 36 | A | 45.3 | Very low | 46.3 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -82.9 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K38 K39 | A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.47Å; A36-K39 PolarHBondContact O-N 3.37Å |
| 37 | D | 45.7 | Very low | 47 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.1 | -34.3 | -177.3 | -102.4 | -22.3 | 0 | 0 | 0 | 113.3 | K39 E40 D41 | D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.4Å; D37-E40 PolarHBondContact O-N 3.44Å; D37-D41 PolarHBondContact O-N 3.12Å |
| 38 | K | 49.4 | Very low | 47.4 | Very low | 137 Ų | 137 | 122 Ų | 122 | 60% | 0.596 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.5 | -21.1 | -179.2 | -92.8 | 179.3 | 178 | 170.4 | 0 | 114.6 | A36 | A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.47Å |
| 39 | K | 49.8 | Very low | 48.3 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 64% | 0.635 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.1 | -23.7 | 178.4 | -86.5 | 176.9 | -179 | 157.4 | 0 | 113 | A36 D37 L43 | A36-K39 PolarHBondContact O-N 3.37Å; D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.4Å; K39-L43 PolarHBondContact O-N 3.49Å |
| 40 | E | 50.9 | Low | 49 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.8 | -40.8 | 176.4 | -65.5 | -168.7 | 168.2 | 0 | 0 | 110.6 | D37 D42 L43 E44 | D37-E40 PolarHBondContact O-N 3.44Å; E40-D42 PolarHBondContact O-N 2.94Å; E40-L43 PolarHBondContact O-N 3.24Å; E40-E44 PolarHBondContact O-N 3.21Å |
| 41 | D | 50.4 | Low | 48.9 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 174.6 | -86.8 | -21.2 | 0 | 0 | 0 | 113.3 | D37 A45 | D37-D41 PolarHBondContact O-N 3.12Å; D41-A45 WeakPolarHBondContact O-CB 3.38Å; D41-A45 PolarHBondContact O-N 3.4Å; D41-A45 VanDerWaalsContact O-N 3.1Å |
| 42 | D | 50.3 | Low | 49.3 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.4 | -28.5 | 177.1 | -101.5 | -6.9 | 0 | 0 | 0 | 112.3 | E40 M46 | E40-D42 PolarHBondContact O-N 2.94Å; D42-M46 HydrophobicContact CB-CE 4.39Å; D42-M46 WeakPolarHBondContact O-CE 3.3Å; D42-M46 VanDerWaalsContact O-CG 3.25Å; D42-M46 WeakPolarHBondContact O-CG 3.13Å; D42-M46 PolarHBondContact O-N 3.3Å |
| 43 | L | 52.8 | Low | 49.5 | Very low | 114 Ų | 114 | 117 Ų | 117 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79.6 | -35.7 | 175.9 | -111.1 | 106.9 | 0 | 0 | 0 | 112.5 | K39 E40 M46 N47 | K39-L43 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 3.48Å; L43-N47 PolarHBondContact O-N 3.16Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.29Å; L43-N47 VanDerWaalsContact O-ND2 3.17Å |
| 44 | E | 53.3 | Low | 49.7 | Very low | 139 Ų | 139 | 120 Ų | 120 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -42.4 | 174.2 | -82.1 | -85.8 | 157.8 | 0 | 0 | 111.3 | E40 M46 N47 A48 | E40-E44 PolarHBondContact O-N 3.21Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.36Å; E44-N47 PolarHBondContact O-N 2.88Å; E44-A48 WeakPolarHBondContact O-CB 3.19Å; E44-A48 PolarHBondContact O-N 3.4Å |
| 45 | A | 54.3 | Low | 49.8 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.7 | -33.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | D41 | D41-A45 WeakPolarHBondContact O-CB 3.38Å; D41-A45 PolarHBondContact O-N 3.4Å; D41-A45 VanDerWaalsContact O-N 3.1Å |
| 46 | M | 52.3 | Low | 49.6 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 64% | 0.64 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77 | -31.5 | 177.3 | -65.5 | -173.2 | -146.5 | 0 | 0 | 112.8 | D42 L43 E44 | D42-M46 HydrophobicContact CB-CE 4.39Å; D42-M46 WeakPolarHBondContact O-CE 3.3Å; D42-M46 VanDerWaalsContact O-CG 3.25Å; D42-M46 WeakPolarHBondContact O-CG 3.13Å; D42-M46 PolarHBondContact O-N 3.3Å; L43-M46 PolarHBondContact O-N 3.48Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.36Å |
| 47 | N | 49.7 | Very low | 49.3 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.7 | -33 | 175.4 | -79.4 | -42.3 | 0 | 0 | 0 | 112.7 | L43 E44 E49 E50 D51 | L43-N47 PolarHBondContact O-N 3.16Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.29Å; L43-N47 VanDerWaalsContact O-ND2 3.17Å; E44-N47 PolarHBondContact O-N 2.88Å; N47-E49 VanDerWaalsContact C-N 3.33Å; N47-E49 PolarHBondContact O-N 3.37Å; N47-E50 PolarHBondContact O-N 3.24Å; N47-D51 PolarHBondContact O-N 3.42Å |
| 48 | A | 53.4 | Low | 49.5 | Very low | 56 Ų | 56 | 120 Ų | 120 | 46% | 0.463 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.6 | -32.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | E44 S52 | E44-A48 WeakPolarHBondContact O-CB 3.19Å; E44-A48 PolarHBondContact O-N 3.4Å; A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.43Å |
| 49 | E | 50.9 | Low | 49.2 | Very low | 150 Ų | 150 | 121 Ų | 121 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.4 | -29.6 | 173.7 | -69.6 | -86 | 154 | 0 | 0 | 112.2 | N47 | N47-E49 VanDerWaalsContact C-N 3.33Å; N47-E49 PolarHBondContact O-N 3.37Å |
| 50 | E | 52.1 | Low | 49.2 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.1 | -38.2 | 176.1 | -171.8 | 170.7 | -177.7 | 0 | 0 | 112.1 | N47 L53 R54 | N47-E50 PolarHBondContact O-N 3.24Å; E50-L53 PolarHBondContact O-N 2.97Å; E50-R54 PolarHBondContact O-N 3.01Å |
| 51 | D | 44.2 | Very low | 49 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73 | -33.7 | -179.4 | -159.7 | 35.9 | 0 | 0 | 0 | 112.6 | N47 L53 R54 N55 | N47-D51 PolarHBondContact O-N 3.42Å; D51-L53 PolarHBondContact O-N 3.36Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 VanDerWaalsContact O-N 3.12Å; D51-N55 PolarHBondContact O-N 3.26Å |
| 52 | S | 52 | Low | 49.1 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.2 | -22.4 | 174.6 | -71 | 0 | 0 | 0 | 0 | 113.9 | A48 | A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.43Å |
| 53 | L | 49.8 | Very low | 49 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92 | -13.3 | 175.3 | -69.6 | 172.4 | 0 | 0 | 0 | 113.2 | E50 D51 | E50-L53 PolarHBondContact O-N 2.97Å; D51-L53 PolarHBondContact O-N 3.36Å |
| 54 | R | 49.2 | Very low | 48.7 | Very low | 207 Ų | 207 | 124 Ų | 124 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.6 | -24.6 | -179.1 | -168.5 | 170.5 | 177.1 | -118 | -3.2 | 112.8 | E50 D51 G56 | E50-R54 PolarHBondContact O-N 3.01Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 VanDerWaalsContact O-N 3.12Å; R54-G56 VanDerWaalsContact C-N 3.35Å |
| 55 | N | 44.7 | Very low | 48.5 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -88.8 | 2.4 | -178.5 | -156.6 | 45.4 | 0 | 0 | 0 | 114.2 | D51 | D51-N55 PolarHBondContact O-N 3.26Š|
| 56 | G | 42 | Very low | 48.3 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -101.6 | 78.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R54 | R54-G56 VanDerWaalsContact C-N 3.35Š|
| 57 | G | 38.4 | Very low | 48.1 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 52% | 0.515 | 68% | 0.677 | S | S | . | * | trans | 74.9 | 113.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | E59 | G57-E59 PolarHBondContact O-N 3.25Š| ||
| 58 | E | 49 | Very low | 48.1 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 95% | 0.949 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 67.4 | 139.8 | -63.7 | 175.8 | 163.8 | 0 | 0 | 108.5 | ||||
| 59 | E | 44.3 | Very low | 47.8 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | -89.1 | 110.1 | 168.4 | -61.9 | -72.2 | 158.3 | 0 | 0 | 105.7 | G57 D61 | G57-E59 PolarHBondContact O-N 3.25Å; E59-D61 PolarHBondContact O-N 2.92Å; E59-D61 VanDerWaalsContact O-N 3.15Å | ||
| 60 | E | 48.9 | Very low | 47.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -50.8 | 116.4 | 164.6 | -63.2 | 178 | 159.6 | 0 | 0 | 107 | E62 | E60-E62 PolarHBondContact O-N 3.36Š| ||
| 61 | D | 45.9 | Very low | 47.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | trans | -68.6 | 73 | 176.7 | -67.4 | -54.7 | 0 | 0 | 0 | 108.9 | E59 D63 K105 | E59-D61 PolarHBondContact O-N 2.92Å; E59-D61 VanDerWaalsContact O-N 3.15Å; D61-D63 PolarHBondContact O-N 2.64Å; D61-D63 VanDerWaalsContact O-N 3.14Å; D61-K105 IonicContact OD1-NZ 2.67Å; D61-K105 IonicContact OD2-NZ 3.71Å; D61-K105 PolarHBondContact OD2-NZ 2.97Å | ||
| 62 | E | 53.2 | Low | 47.4 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | -76 | 61.6 | 147.7 | -69.9 | -169.4 | 167.1 | 0 | 0 | 107.7 | E60 E64 | E60-E62 PolarHBondContact O-N 3.36Å; E62-E64 PolarHBondContact O-N 2.61Å | ||
| 63 | D | 47.6 | Very low | 47 | Very low | 93 Ų | 93 | 146 Ų | 146 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | trans | -73.8 | 83.9 | 165.3 | -102.6 | 4.4 | 0 | 0 | 0 | 106.2 | D61 D65 R98 | D61-D63 PolarHBondContact O-N 2.64Å; D61-D63 VanDerWaalsContact O-N 3.14Å; D63-D65 PolarHBondContact O-N 3Å; D63-R98 IonicContact OD2-CZ 2.93Å; D63-R98 IonicContact OD2-NE 2.81Å; D63-R98 IonicContact OD2-NH2 3.96Å; D63-R98 PolarHBondContact OD2-NH2 3.19Å | ||
| 64 | E | 47.6 | Very low | 46.6 | Very low | 143 Ų | 143 | 148 Ų | 148 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | trans | -43.6 | 131 | 160.8 | -71 | -177.6 | 154.7 | 0 | 0 | 108.7 | E62 L66 | E62-E64 PolarHBondContact O-N 2.61Å; E64-L66 HydrophobicContact CB-CG 4.33Å; E64-L66 PolarHBondContact O-N 3.27Å | ||
| 65 | D | 49.8 | Very low | 46.6 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -63 | 68 | 166.1 | -98.9 | -32.3 | 0 | 0 | 0 | 108.9 | D63 E67 | D63-D65 PolarHBondContact O-N 3Å; D65-E67 PolarHBondContact O-N 2.69Å | ||
| 66 | L | 48.8 | Very low | 46.8 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -72.3 | 83.6 | 160.5 | -67.2 | 176.1 | 0 | 0 | 0 | 106.1 | E64 E68 | E64-L66 HydrophobicContact CB-CG 4.33Å; E64-L66 PolarHBondContact O-N 3.27Å; L66-E68 PolarHBondContact O-N 3.38Å | ||
| 67 | E | 49 | Very low | 46.9 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -54.7 | 90.1 | 152.5 | -67.1 | -172.9 | 164.2 | 0 | 0 | 106.4 | D65 E69 | D65-E67 PolarHBondContact O-N 2.69Å; E67-E69 PolarHBondContact O-N 3.1Å | ||
| 68 | E | 49 | Very low | 47.5 | Very low | 167 Ų | 167 | 154.4 Ų | 154.4 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | -60.6 | 95.1 | 160.8 | -79.3 | 178.8 | 166.3 | 0 | 0 | 106.4 | L66 E70 | L66-E68 PolarHBondContact O-N 3.38Å; E68-E70 PolarHBondContact O-N 3.27Å | ||
| 69 | E | 47 | Very low | 47.6 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -59.4 | 86.9 | 157.6 | -71.6 | -170.7 | 159.8 | 0 | 0 | 106.9 | E67 E71 | E67-E69 PolarHBondContact O-N 3.1Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 3Å | ||
| 70 | E | 49.8 | Very low | 48 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 99.9 | 163.2 | -75.8 | -174.4 | 173.2 | 0 | 0 | 107 | E68 E72 | E68-E70 PolarHBondContact O-N 3.27Å; E70-E72 PolarHBondContact O-N 3.49Å | ||
| 71 | E | 44.8 | Very low | 48.1 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -53.4 | 107.1 | 161.5 | -71.6 | -175.4 | 161.3 | 0 | 0 | 107.8 | E69 E73 | E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 3Å; E71-E73 PolarHBondContact O-N 3.26Å; E71-E73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | E | 45 | Very low | 48.7 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 59% | 0.589 | 76% | 0.761 | S | S | * | * | trans | -68.3 | 105.8 | 167 | -69.1 | -170.3 | 178.7 | 0 | 0 | 107 | E70 E74 K89 | E70-E72 PolarHBondContact O-N 3.49Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.93Å; E72-K89 WeakPolarHBondContact OE1-CE 3.35Å; E72-K89 IonicContact OE1-NZ 3.92Å; E72-K89 PolarHBondContact OE1-NZ 2.96Å | ||
| 73 | E | 43.1 | Very low | 48.9 | Very low | 193 Ų | 193 | 160 Ų | 160 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -59.6 | 100.7 | 161.3 | -71.5 | -167 | 171.8 | 0 | 0 | 107.6 | E71 E75 | E71-E73 PolarHBondContact O-N 3.26Å; E71-E73 VanDerWaalsContact O-N 3.12Å; E73-E75 PolarHBondContact O-N 2.92Å | ||
| 74 | E | 42.3 | Very low | 49.5 | Very low | 174 Ų | 174 | 167.9 Ų | 167.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 94.5 | 170.1 | -70.1 | -138.8 | 171.3 | 0 | 0 | 108.6 | E72 D76 | E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.93Å; E74-D76 PolarHBondContact O-N 3.2Å | ||
| 75 | E | 48.8 | Very low | 50.7 | Low | 193 Ų | 193 | 163.4 Ų | 163.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 107.5 | 160.7 | -134 | -179.9 | -170.2 | 0 | 0 | 108.1 | E73 D77 | E73-E75 PolarHBondContact O-N 2.92Å; E75-D77 PolarHBondContact O-N 2.92Å | ||
| 76 | D | 49.1 | Very low | 51.5 | Low | 141 Ų | 141 | 163 Ų | 163 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -49.8 | 110.7 | 173.8 | -173.7 | 39.9 | 0 | 0 | 0 | 111.6 | E74 | E74-D76 PolarHBondContact O-N 3.2Š| ||
| 77 | D | 42.9 | Very low | 52.2 | Low | 159 Ų | 159 | 166 Ų | 166 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -140.9 | 122.3 | 153.4 | -166.9 | 31.4 | 0 | 0 | 0 | 110.7 | E75 | E75-D77 PolarHBondContact O-N 2.92Š| ||
| 78 | D | 51.3 | Low | 53.1 | Low | 113 Ų | 113 | 168 Ų | 168 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | trans | -78.3 | 147.6 | -163 | -122.3 | -47.1 | 0 | 0 | 0 | 112.5 | ||||
| 79 | Q | 51.4 | Low | 54.4 | Low | 171 Ų | 171 | 168 Ų | 168 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | 74.6 | 87 | 157.2 | -57.3 | 170.7 | 51.2 | 0 | 0 | 120.5 | ||||
| 80 | K | 52.1 | Low | 55.9 | Low | 195 Ų | 195 | 169 Ų | 169 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -155.4 | 140 | 137.7 | -120.9 | 178.2 | 178.9 | 174.5 | 0 | 112.3 | K82 | K80-K82 PolarHBondContact O-N 3.29Š| ||
| 81 | P | 51 | Low | 57.4 | Low | 122 Ų | 122 | 166.8 Ų | 166.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 121.3 | -172.2 | 24.5 | -32 | 0 | 0 | 0 | 111.8 | R83 | P81-R83 PolarHBondContact O-N 3.1Å; P81-R83 VanDerWaalsContact O-N 3.09Å | ||
| 82 | K | 58.5 | Low | 59.7 | Low | 196 Ų | 196 | 161.8 Ų | 161.8 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -64.2 | 103.7 | 179.5 | -64.3 | 179.2 | -179.9 | -179.5 | 0 | 109.7 | K80 R84 | K80-K82 PolarHBondContact O-N 3.29Å; K82-R84 PolarHBondContact O-N 3.44Å | ||
| 83 | R | 58.5 | Low | 61.9 | Low | 240 Ų | 240 | 163.7 Ų | 163.7 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 114.7 | 168.2 | -70.5 | 177.8 | 69.4 | -176.4 | 1.8 | 108.7 | P81 G85 | P81-R83 PolarHBondContact O-N 3.1Å; P81-R83 VanDerWaalsContact O-N 3.09Å; R83-G85 PolarHBondContact O-N 3.37Å; R83-G85 VanDerWaalsContact O-N 3.13Å | ||
| 84 | R | 60.1 | Low | 64.2 | Low | 258 Ų | 258 | 158 Ų | 158 | 97% | 0.974 | 77% | 0.765 | S | S | * | * | trans | -68.8 | 101.8 | 176.6 | -66.2 | -179.2 | 174.3 | -171.4 | -2.7 | 109.8 | K82 | K82-R84 PolarHBondContact O-N 3.44Š| ||
| 85 | G | 71.6 | Confident | 66.6 | Low | 49 Ų | 49 | 158 Ų | 158 | 51% | 0.505 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -158.9 | 145.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108 | R83 K87 | R83-G85 PolarHBondContact O-N 3.37Å; R83-G85 VanDerWaalsContact O-N 3.13Å; G85-K87 PolarHBondContact O-N 3.35Å |
| 86 | P | 67.9 | Low | 68.7 | Low | 136 Ų | 136 | 152.1 Ų | 152.1 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -58.2 | 103 | 178.8 | -21.6 | 32.1 | 0 | 0 | 0 | 109.8 | K88 | P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.14Å | ||
| 87 | K | 63.9 | Low | 70.9 | Confident | 200 Ų | 200 | 149.6 Ų | 149.6 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | -65.6 | 113.9 | 171.5 | -86.6 | -176.8 | 174.2 | -179.4 | 0 | 106.3 | G85 K89 | G85-K87 PolarHBondContact O-N 3.35Å; K87-K89 VanDerWaalsContact C-N 3.29Å; K87-K89 PolarHBondContact O-N 3.49Å | ||
| 88 | K | 66.5 | Low | 73.3 | Confident | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 69% | 0.693 | S | S | * | * | trans | -63 | 94.5 | 166.8 | -67.1 | -176.9 | 179.4 | -178.8 | 0 | 107.2 | P86 K90 | P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.14Å; K88-K90 PolarHBondContact O-N 3.19Å | ||
| 89 | K | 75.8 | Confident | 75.4 | Confident | 167 Ų | 167 | 147.2 Ų | 147.2 | 73% | 0.726 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.9 | 173.9 | -152.7 | 175.9 | -175.3 | -178.5 | 0 | 106.2 | E72 K87 M91 | E72-K89 WeakPolarHBondContact OE1-CE 3.35Å; E72-K89 IonicContact OE1-NZ 3.92Å; E72-K89 PolarHBondContact OE1-NZ 2.96Å; K87-K89 VanDerWaalsContact C-N 3.29Å; K87-K89 PolarHBondContact O-N 3.49Å; K89-M91 PolarHBondContact O-N 3.26Å |
| 90 | K | 78.7 | Confident | 77.6 | Confident | 196 Ų | 196 | 143.1 Ų | 143.1 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.9 | 178.1 | -64.8 | -180 | -178.4 | 178.2 | 0 | 107.1 | K88 | K88-K90 PolarHBondContact O-N 3.19Š|
| 91 | M | 82.7 | Confident | 79.7 | Confident | 90 Ų | 90 | 138.9 Ų | 138.9 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 138.2 | 176.7 | -67.4 | -152 | -56.4 | 0 | 0 | 110.3 | K89 R95 L96 | K89-M91 PolarHBondContact O-N 3.26Å; M91-R95 HydrophobicContact SD-CG 3.88Å; M91-L96 HydrophobicContact CE-CD1 3.96Å |
| 92 | T | 91.9 | Very high | 82 | Confident | 76 Ų | 76 | 139.4 Ų | 139.4 | 47% | 0.466 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 150.8 | 171.2 | -46.3 | 0 | 0 | 0 | 0 | 110.6 | A94 R95 L96 | T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.71Å; T92-R95 PolarHBondContact O-N 2.93Å; T92-L96 PolarHBondContact O-N 2.85Å |
| 93 | K | 91.1 | Very high | 83.9 | Confident | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.8 | -44.7 | 178.7 | -174 | -178.3 | 175.2 | -174.4 | 0 | 111.9 | R95 L96 E97 | K93-R95 PolarHBondContact O-N 3.14Å; K93-L96 WeakPolarHBondContact O-CB 3.44Å; K93-L96 PolarHBondContact O-N 2.81Å; K93-E97 PolarHBondContact O-N 3.06Å |
| 94 | A | 91.7 | Very high | 85.7 | Confident | 74 Ų | 74 | 130.3 Ų | 130.3 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.3 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T92 L96 E97 R98 | T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.71Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.92Å; A94-E97 PolarHBondContact O-N 3.44Å; A94-R98 PolarHBondContact O-N 3.25Å |
| 95 | R | 92.1 | Very high | 87.6 | Confident | 172 Ų | 172 | 122.3 Ų | 122.3 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.6 | -37.9 | 176.6 | -171.2 | 175.8 | 179.8 | 173.6 | 3.9 | 112.4 | M91 T92 K93 F99 | M91-R95 HydrophobicContact SD-CG 3.88Å; T92-R95 PolarHBondContact O-N 2.93Å; K93-R95 PolarHBondContact O-N 3.14Å; R95-F99 WeakPolarHBondContact O-CB 3.35Å; R95-F99 PolarHBondContact O-N 3.47Å |
| 96 | L | 93.5 | Very high | 88.8 | Confident | 71 Ų | 71 | 122 Ų | 122 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | 176 | -175.4 | 64.6 | 0 | 0 | 0 | 111.8 | M91 T92 K93 A94 F99 K100 | M91-L96 HydrophobicContact CE-CD1 3.96Å; T92-L96 PolarHBondContact O-N 2.85Å; K93-L96 WeakPolarHBondContact O-CB 3.44Å; K93-L96 PolarHBondContact O-N 2.81Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.92Å; L96-F99 PolarHBondContact O-N 3.21Å; L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 2.92Å |
| 97 | E | 94.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.1 | -65.5 | -50 | 139.1 | 0 | 0 | 111.9 | K93 A94 F99 K100 L101 | K93-E97 PolarHBondContact O-N 3.06Å; A94-E97 PolarHBondContact O-N 3.44Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.26Å; E97-K100 WeakPolarHBondContact O-CB 3.3Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.11Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; E97-K100 IonicContact OE2-NZ 2.61Å; E97-L101 PolarHBondContact O-N 3.06Å |
| 98 | R | 95.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 111.4 Ų | 111.4 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 173.7 | -168 | 179.2 | -171.2 | -154.7 | 7.4 | 111.7 | D63 A94 L101 R102 | D63-R98 IonicContact OD2-CZ 2.93Å; D63-R98 IonicContact OD2-NE 2.81Å; D63-R98 IonicContact OD2-NH2 3.96Å; D63-R98 PolarHBondContact OD2-NH2 3.19Å; A94-R98 PolarHBondContact O-N 3.25Å; R98-L101 PolarHBondContact O-N 3.33Å; R98-R102 WeakPolarHBondContact O-CG 3.49Å; R98-R102 PolarHBondContact O-N 3.4Å |
| 99 | F | 95.4 | Very high | 93.5 | Very high | 120 Ų | 120 | 108.4 Ų | 108.4 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 175.2 | 177.3 | -96.1 | 0 | 0 | 0 | 112.3 | R95 L96 E97 L101 R102 R103 | R95-F99 WeakPolarHBondContact O-CB 3.35Å; R95-F99 PolarHBondContact O-N 3.47Å; L96-F99 PolarHBondContact O-N 3.21Å; E97-F99 VanDerWaalsContact C-N 3.29Å; E97-F99 PolarHBondContact O-N 3.26Å; F99-L101 PolarHBondContact O-N 2.98Å; F99-R102 PolarHBondContact O-N 3.41Å; F99-R103 WeakPolarHBondContact O-CB 3.3Å; F99-R103 PolarHBondContact O-N 2.93Å |
| 100 | K | 96.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 104.6 Ų | 104.6 | 37% | 0.37 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.5 | -73.7 | 170.6 | -179 | 173.1 | 0 | 111.5 | L96 E97 R103 M104 | L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 2.92Å; E97-K100 WeakPolarHBondContact O-CB 3.3Å; E97-K100 PolarHBondContact O-N 3.44Å; E97-K100 VanDerWaalsContact O-N 3.11Å; E97-K100 IonicContact OE1-NZ 3.79Å; E97-K100 PolarHBondContact OE1-NZ 3.2Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; E97-K100 IonicContact OE2-NZ 2.61Å; K100-R103 PolarHBondContact O-N 2.99Å; K100-M104 WeakPolarHBondContact O-CB 3.47Å; K100-M104 PolarHBondContact O-N 3.46Å |
| 101 | L | 96.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.1 | -48.9 | 178.6 | -179.3 | 59.3 | 0 | 0 | 0 | 111.5 | E97 R98 F99 R103 M104 K105 | E97-L101 PolarHBondContact O-N 3.06Å; R98-L101 PolarHBondContact O-N 3.33Å; F99-L101 PolarHBondContact O-N 2.98Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.44Å; L101-M104 HydrophobicContact CD1-CE 3.8Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å; L101-K105 PolarHBondContact O-N 3.4Å |
| 102 | R | 97.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 175.7 | -73.2 | 174.2 | 172.3 | -160.9 | -8.9 | 112 | R98 F99 K105 A106 | R98-R102 WeakPolarHBondContact O-CG 3.49Å; R98-R102 PolarHBondContact O-N 3.4Å; F99-R102 PolarHBondContact O-N 3.41Å; R102-K105 PolarHBondContact O-N 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.36Å; R102-A106 PolarHBondContact O-N 3.45Å |
| 103 | R | 98.3 | Very high | 96.6 | Very high | 145 Ų | 145 | 107.4 Ų | 107.4 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.4 | -170 | 176.2 | 68.9 | 127.8 | 1.7 | 111.8 | F99 K100 L101 A106 N107 | F99-R103 WeakPolarHBondContact O-CB 3.3Å; F99-R103 PolarHBondContact O-N 2.93Å; K100-R103 PolarHBondContact O-N 2.99Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.44Å; R103-A106 PolarHBondContact O-N 3.46Å; R103-N107 WeakPolarHBondContact O-CB 3.38Å; R103-N107 PolarHBondContact O-N 2.94Å; R103-N107 PolarHBondContact O-ND2 3.39Å |
| 104 | M | 98 | Very high | 96.9 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 49% | 0.493 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 176.2 | -173.2 | 177.4 | 76.9 | 0 | 0 | 111.5 | K100 L101 A106 N107 A108 | K100-M104 WeakPolarHBondContact O-CB 3.47Å; K100-M104 PolarHBondContact O-N 3.46Å; L101-M104 HydrophobicContact CD1-CE 3.8Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-M104 VanDerWaalsContact O-N 3.12Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.35Å; M104-N107 PolarHBondContact O-N 3.18Å; M104-A108 PolarHBondContact O-N 3.22Å |
| 105 | K | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 39% | 0.391 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.3 | -165.3 | 176.9 | -173.7 | 167.7 | 0 | 111.4 | D61 L101 R102 A108 R109 | D61-K105 IonicContact OD1-NZ 2.67Å; D61-K105 IonicContact OD2-NZ 3.71Å; D61-K105 PolarHBondContact OD2-NZ 2.97Å; L101-K105 PolarHBondContact O-N 3.4Å; R102-K105 PolarHBondContact O-N 3.45Å; K105-A108 PolarHBondContact O-N 2.89Å; K105-R109 WeakPolarHBondContact O-CG 3.48Å; K105-R109 PolarHBondContact O-N 3.17Å; K105-R109 VanDerWaalsContact O-N 3.11Å; K105-R109 PolarHBondContact O-NE 3.46Å |
| 106 | A | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 98.3 Ų | 98.3 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R102 R103 M104 A108 R109 E110 | R102-A106 WeakPolarHBondContact O-CB 3.36Å; R102-A106 PolarHBondContact O-N 3.45Å; R103-A106 PolarHBondContact O-N 3.46Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.35Å; A106-A108 PolarHBondContact O-N 2.99Å; A106-R109 PolarHBondContact O-N 3.49Å; A106-E110 PolarHBondContact O-N 3.34Å |
| 107 | N | 98.6 | Very high | 97.8 | Very high | 76 Ų | 76 | 99.5 Ų | 99.5 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.2 | -72.3 | -13.7 | 0 | 0 | 0 | 112.1 | R103 M104 E110 R111 | R103-N107 WeakPolarHBondContact O-CB 3.38Å; R103-N107 PolarHBondContact O-N 2.94Å; R103-N107 PolarHBondContact O-ND2 3.39Å; M104-N107 PolarHBondContact O-N 3.18Å; N107-E110 PolarHBondContact O-N 2.97Å; N107-R111 WeakPolarHBondContact O-CG 3.3Å; N107-R111 PolarHBondContact O-N 3.46Å |
| 108 | A | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 98 Ų | 98 | 31% | 0.314 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M104 K105 A106 E110 R111 N112 | M104-A108 PolarHBondContact O-N 3.22Å; K105-A108 PolarHBondContact O-N 2.89Å; A106-A108 PolarHBondContact O-N 2.99Å; A108-E110 PolarHBondContact O-N 3.31Å; A108-R111 PolarHBondContact O-N 3.38Å; A108-N112 PolarHBondContact O-N 3.42Å |
| 109 | R | 98.7 | Very high | 98.1 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 53% | 0.525 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.1 | -72.3 | -178.1 | -70.5 | -127.7 | 0.4 | 112.5 | K105 A106 N112 R113 | K105-R109 WeakPolarHBondContact O-CG 3.48Å; K105-R109 PolarHBondContact O-N 3.17Å; K105-R109 VanDerWaalsContact O-N 3.11Å; K105-R109 PolarHBondContact O-NE 3.46Å; A106-R109 PolarHBondContact O-N 3.49Å; R109-N112 PolarHBondContact O-N 3.03Å; R109-R113 PolarHBondContact O-N 3.28Å |
| 110 | E | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 92.6 Ų | 92.6 | 41% | 0.407 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 178.9 | -178.7 | 55.7 | -162 | 0 | 0 | 112.2 | A106 N107 A108 N112 R113 M114 | A106-E110 PolarHBondContact O-N 3.34Å; N107-E110 PolarHBondContact O-N 2.97Å; A108-E110 PolarHBondContact O-N 3.31Å; E110-N112 PolarHBondContact O-N 2.9Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 IonicContact OE1-NH1 2.6Å; E110-R113 PolarHBondContact OE1-NH1 3.29Å; E110-R113 WeakPolarHBondContact OE2-CD 3.21Å; E110-R113 IonicContact OE2-NH1 3.56Å; E110-R113 PolarHBondContact OE2-NH1 3.49Å; E110-M114 HydrophobicContact CG-CG 4.49Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.36Å; E110-M114 PolarHBondContact O-N 3.26Å; E110-M114 WeakPolarHBondContact OE1-CG 3.29Å |
| 111 | R | 98.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 89.5 Ų | 89.5 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 171.5 | -70.6 | -176.1 | -152.4 | 137.6 | -1.3 | 111.1 | N107 A108 R113 M114 H115 | N107-R111 WeakPolarHBondContact O-CG 3.3Å; N107-R111 PolarHBondContact O-N 3.46Å; A108-R111 PolarHBondContact O-N 3.38Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 3.22Å; R111-M114 CarbonylContact O-C 3.55Å; R111-M114 PolarHBondContact O-N 2.91Å; R111-M114 VanDerWaalsContact O-N 3.09Å; R111-H115 PolarHBondContact O-CD2 2.98Å; R111-H115 PolarHBondContact O-N 3.35Å |
| 112 | N | 98.5 | Very high | 98.3 | Very high | 116 Ų | 116 | 86.6 Ų | 86.6 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 178.9 | -71.7 | 1.3 | 0 | 0 | 0 | 112 | A108 R109 E110 M114 H115 G116 | A108-N112 PolarHBondContact O-N 3.42Å; R109-N112 PolarHBondContact O-N 3.03Å; E110-N112 PolarHBondContact O-N 2.9Å; N112-M114 VanDerWaalsContact C-N 3.32Å; N112-M114 PolarHBondContact O-N 3.48Å; N112-H115 PolarHBondContact O-N 2.87Å; N112-G116 PolarHBondContact O-N 2.88Å |
| 113 | R | 98.7 | Very high | 98.3 | Very high | 152 Ų | 152 | 84.4 Ų | 84.4 | 57% | 0.574 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 173.1 | -178.9 | 179.6 | 161 | -81.2 | -7.3 | 111.6 | R109 E110 R111 G116 L117 | R109-R113 PolarHBondContact O-N 3.28Å; E110-R113 PolarHBondContact O-N 3.35Å; E110-R113 IonicContact OE1-NH1 2.6Å; E110-R113 PolarHBondContact OE1-NH1 3.29Å; E110-R113 WeakPolarHBondContact OE2-CD 3.21Å; E110-R113 IonicContact OE2-NH1 3.56Å; E110-R113 PolarHBondContact OE2-NH1 3.49Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 3.22Å; R113-G116 PolarHBondContact O-N 2.91Å; R113-L117 PolarHBondContact O-N 3.34Å |
| 114 | M | 98.7 | Very high | 98.3 | Very high | 58 Ų | 58 | 80 Ų | 80 | 29% | 0.286 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 178.1 | -73.2 | -56.4 | -57.7 | 0 | 0 | 113.1 | E110 R111 N112 L117 N118 | E110-M114 HydrophobicContact CG-CG 4.49Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.36Å; E110-M114 PolarHBondContact O-N 3.26Å; E110-M114 WeakPolarHBondContact OE1-CG 3.29Å; R111-M114 CarbonylContact O-C 3.55Å; R111-M114 PolarHBondContact O-N 2.91Å; R111-M114 VanDerWaalsContact O-N 3.09Å; N112-M114 VanDerWaalsContact C-N 3.32Å; N112-M114 PolarHBondContact O-N 3.48Å; M114-L117 HydrophobicContact CE-CD2 4.07Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-L117 HydrophobicContact SD-CD2 4.16Å; M114-N118 WeakPolarHBondContact O-CB 3.46Å; M114-N118 VanDerWaalsContact O-CG 3.3Å; M114-N118 PolarHBondContact O-N 3.35Å; M114-N118 PolarHBondContact O-ND2 3.14Å |
| 115 | H | 98.5 | Very high | 98.3 | Very high | 121 Ų | 121 | 76.8 Ų | 76.8 | 56% | 0.56 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 171.5 | -72.3 | -60.6 | 0 | 0 | 0 | 111.1 | R111 N112 L117 N118 A119 | R111-H115 PolarHBondContact O-CD2 2.98Å; R111-H115 PolarHBondContact O-N 3.35Å; N112-H115 PolarHBondContact O-N 2.87Å; H115-L117 PolarHBondContact O-N 2.88Å; H115-N118 PolarHBondContact O-N 3.34Å; H115-A119 WeakPolarHBondContact O-CB 3.43Å; H115-A119 PolarHBondContact O-N 3.11Å |
| 116 | G | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 77.9 Ų | 77.9 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N112 R113 A119 A120 | N112-G116 PolarHBondContact O-N 2.88Å; R113-G116 PolarHBondContact O-N 2.91Å; G116-A119 PolarHBondContact O-N 3.35Å; G116-A120 PolarHBondContact O-N 2.96Å |
| 117 | L | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 80.7 Ų | 80.7 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177 | -179 | 62.8 | 0 | 0 | 0 | 112.4 | R113 M114 H115 A119 A120 L121 | R113-L117 PolarHBondContact O-N 3.34Å; M114-L117 HydrophobicContact CE-CD2 4.07Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-L117 HydrophobicContact SD-CD2 4.16Å; H115-L117 PolarHBondContact O-N 2.88Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A120 PolarHBondContact O-N 2.67Å; L117-L121 PolarHBondContact O-N 3.34Å |
| 118 | N | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 77.5 Ų | 77.5 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 178.7 | -71.1 | -34.9 | 0 | 0 | 0 | 111.5 | M114 H115 L121 D122 K139 | M114-N118 WeakPolarHBondContact O-CB 3.46Å; M114-N118 VanDerWaalsContact O-CG 3.3Å; M114-N118 PolarHBondContact O-N 3.35Å; M114-N118 PolarHBondContact O-ND2 3.14Å; H115-N118 PolarHBondContact O-N 3.34Å; N118-L121 PolarHBondContact O-N 2.93Å; N118-D122 PolarHBondContact O-N 3.41Å; N118-K139 PolarHBondContact OD1-NZ 2.85Å |
| 119 | A | 98.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 77 Ų | 77 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H115 G116 L117 L121 D122 N123 | H115-A119 WeakPolarHBondContact O-CB 3.43Å; H115-A119 PolarHBondContact O-N 3.11Å; G116-A119 PolarHBondContact O-N 3.35Å; L117-A119 VanDerWaalsContact C-N 3.33Å; A119-L121 PolarHBondContact O-N 3.49Å; A119-D122 PolarHBondContact O-N 3.45Å; A119-N123 PolarHBondContact O-N 3.28Å; A119-N123 PolarHBondContact O-ND2 3.06Å |
| 120 | A | 98.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 71.2 Ų | 71.2 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | G116 L117 D122 N123 L124 | G116-A120 PolarHBondContact O-N 2.96Å; L117-A120 PolarHBondContact O-N 2.67Å; A120-D122 PolarHBondContact O-N 3.1Å; A120-N123 PolarHBondContact O-N 2.96Å; A120-L124 PolarHBondContact O-N 3.33Å |
| 121 | L | 98.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.4 | -175.7 | 69.1 | 0 | 0 | 0 | 112.1 | L117 N118 A119 N123 L124 R125 K139 T142 | L117-L121 PolarHBondContact O-N 3.34Å; N118-L121 PolarHBondContact O-N 2.93Å; A119-L121 PolarHBondContact O-N 3.49Å; L121-N123 VanDerWaalsContact C-N 3.34Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 3.24Å; L121-R125 WeakPolarHBondContact O-CG 3.22Å; L121-R125 PolarHBondContact O-N 2.89Å; L121-K139 HydrophobicContact CD2-CB 4.05Å; L121-K139 HydrophobicContact CD2-CD 4.08Å; L121-K139 HydrophobicContact CD2-CG 3.6Å; L121-T142 HydrophobicContact CD1-CG2 3.93Å |
| 122 | D | 97 | Very high | 95.8 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 174.6 | -86.7 | -19.3 | 0 | 0 | 0 | 112.3 | N118 A119 A120 R125 K126 K136 | N118-D122 PolarHBondContact O-N 3.41Å; A119-D122 PolarHBondContact O-N 3.45Å; A120-D122 PolarHBondContact O-N 3.1Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.74Å; D122-R125 IonicContact OD1-CZ 3.59Å; D122-R125 IonicContact OD1-NH1 2.74Å; D122-R125 PolarHBondContact OD1-NH1 3.39Å; D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 3.15Å; D122-K136 VanDerWaalsContact CG-NZ 3.32Å; D122-K136 IonicContact OD1-NZ 3.11Å; D122-K136 PolarHBondContact OD1-NZ 3.04Å; D122-K136 VanDerWaalsContact OD1-NZ 3.11Å; D122-K136 IonicContact OD2-NZ 2.85Å; D122-K136 PolarHBondContact OD2-NZ 3.27Å |
| 123 | N | 97.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 171.5 | -72.6 | -29.2 | 0 | 0 | 0 | 111.9 | A119 A120 L121 R125 K126 | A119-N123 PolarHBondContact O-N 3.28Å; A119-N123 PolarHBondContact O-ND2 3.06Å; A120-N123 PolarHBondContact O-N 2.96Å; L121-N123 VanDerWaalsContact C-N 3.34Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.5Å; N123-K126 WeakPolarHBondContact O-CB 3.43Å; N123-K126 PolarHBondContact O-N 2.97Å; N123-K126 PolarHBondContact OD1-NZ 3.24Å |
| 124 | L | 98.3 | Very high | 94.6 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 172.4 | -179.8 | 62 | 0 | 0 | 0 | 111.5 | A120 L121 K126 V127 V128 T142 L143 A146 | A120-L124 PolarHBondContact O-N 3.33Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 3.24Å; L124-K126 PolarHBondContact O-N 2.92Å; L124-V127 HydrophobicContact CD1-CG2 4.1Å; L124-V127 WeakPolarHBondContact O-CG2 3.4Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.14Å; L124-V128 HydrophobicContact CD1-CG2 3.97Å; L124-V128 HydrophobicContact CG-CG2 4.11Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.15Å; L124-T142 HydrophobicContact CD2-CG2 4.07Å; L124-T142 HydrophobicContact CG-CG2 4.15Å; L124-L143 HydrophobicContact CD2-CD2 4.16Å; L124-A146 HydrophobicContact CD1-CB 4.07Å; L124-A146 HydrophobicContact CD2-CB 4.12Å; L124-A146 HydrophobicContact CG-CB 4.37Å |
| 125 | R | 97.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 71.1 Ų | 71.1 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.6 | -34 | 177.4 | -72.6 | 178.2 | 178.9 | 111.2 | 0.6 | 112.9 | L121 D122 N123 V127 Y131 L137 T142 | L121-R125 WeakPolarHBondContact O-CG 3.22Å; L121-R125 PolarHBondContact O-N 2.89Å; D122-R125 WeakPolarHBondContact O-CB 3.34Å; D122-R125 PolarHBondContact O-N 2.74Å; D122-R125 IonicContact OD1-CZ 3.59Å; D122-R125 IonicContact OD1-NH1 2.74Å; D122-R125 PolarHBondContact OD1-NH1 3.39Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.5Å; R125-V127 VanDerWaalsContact C-N 3.31Å; R125-V127 PolarHBondContact O-N 3.43Å; R125-Y131 HydrophobicContact CB-CD2 4.11Å; R125-Y131 HydrophobicContact CB-CE2 4.29Å; R125-Y131 WeakPolarHBondContact O-CB 3.46Å; R125-Y131 WeakPolarHBondContact O-CD2 3.5Å; R125-L137 PolarHBondContact NE-O 3.29Å; R125-L137 PolarHBondContact NH2-O 3.05Å; R125-T142 HydrophobicContact CG-CG2 3.59Å; R125-T142 PolarHBondContact NE-OG1 3.5Å |
| 126 | K | 95.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 70.8 Ų | 70.8 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.8 | -28 | -178.9 | -65.2 | 170 | -171.1 | 166.6 | 0 | 113.4 | D122 N123 L124 Y131 | D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 3.15Å; N123-K126 WeakPolarHBondContact O-CB 3.43Å; N123-K126 PolarHBondContact O-N 2.97Å; N123-K126 PolarHBondContact OD1-NZ 3.24Å; L124-K126 PolarHBondContact O-N 2.92Å; K126-Y131 HydrophobicContact CG-CD2 4.4Å; K126-Y131 HydrophobicContact CG-CE1 4.33Å; K126-Y131 HydrophobicContact CG-CE2 3.94Å |
| 127 | V | 95.7 | Very high | 93.7 | Very high | 101 Ų | 101 | 70 Ų | 70 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -101 | -10.2 | -175.9 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | L124 R125 | L124-V127 HydrophobicContact CD1-CG2 4.1Å; L124-V127 WeakPolarHBondContact O-CG2 3.4Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.14Å; R125-V127 VanDerWaalsContact C-N 3.31Å; R125-V127 PolarHBondContact O-N 3.43Å |
| 128 | V | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -82 | 146.5 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | L124 L145 A146 | L124-V128 HydrophobicContact CD1-CG2 3.97Å; L124-V128 HydrophobicContact CG-CG2 4.11Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.15Å; V128-L145 HydrophobicContact CG1-CB 3.91Å; V128-L145 HydrophobicContact CG1-CD2 3.35Å; V128-L145 HydrophobicContact CG1-CG 3.36Å; V128-A146 HydrophobicContact CG2-CB 3.76Å |
| 129 | P | 91.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 151.1 | 178 | -26.4 | 35.7 | 0 | 0 | 0 | 111.9 | Y131 Y149 L172 | P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 PolarHBondContact O-N 3.09Å; P129-Y149 VanDerWaalsContact CD-CD1 3.48Å; P129-Y149 HydrophobicContact CG-CD1 3.96Å; P129-Y149 HydrophobicContact CG-CD2 3.68Å; P129-Y149 HydrophobicContact CG-CE1 4.01Å; P129-Y149 HydrophobicContact CG-CE2 3.76Å; P129-Y149 HydrophobicContact CG-CG 3.77Å; P129-L172 HydrophobicContact CB-CD1 4.44Å; P129-L172 HydrophobicContact CG-CD1 4.34Å; P129-L172 HydrophobicContact CG-CD2 4.41Å |
| 130 | C | 85 | Confident | 93.6 | Very high | 19 Ų | 19 | 72.3 Ų | 72.3 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 31 | 175.1 | -40.9 | 0 | 0 | 0 | 0 | 113.6 | S132 V184 C187 | C130-S132 PolarHBondContact O-N 2.91Å; C130-V184 HydrophobicContact CB-CG2 4.48Å; C130-C187 HydrophobicContact CB-CB 3.82Å; C130-C187 VanDerWaalsContact CB-SG 3.55Å; C130-C187 WeakPolarHBondContact SG-CB 3.43Å |
| 131 | Y | 88.2 | Confident | 93.6 | Very high | 99 Ų | 99 | 70 Ų | 70 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | trans | -57.3 | 128.3 | 171.3 | 174.8 | -112.9 | 0 | 0 | 0 | 111 | R125 K126 P129 K133 | R125-Y131 HydrophobicContact CB-CD2 4.11Å; R125-Y131 HydrophobicContact CB-CE2 4.29Å; R125-Y131 WeakPolarHBondContact O-CB 3.46Å; R125-Y131 WeakPolarHBondContact O-CD2 3.5Å; K126-Y131 HydrophobicContact CG-CD2 4.4Å; K126-Y131 HydrophobicContact CG-CE1 4.33Å; K126-Y131 HydrophobicContact CG-CE2 3.94Å; P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 PolarHBondContact O-N 3.09Å; Y131-K133 HydrophobicContact CE1-CG 3.84Å | ||
| 132 | S | 86.1 | Confident | 93.6 | Very high | 28 Ų | 28 | 69 Ų | 69 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | trans | -122.8 | 135 | 172 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | C130 T134 Q135 | C130-S132 PolarHBondContact O-N 2.91Å; S132-T134 VanDerWaalsContact C-N 3.35Å; S132-T134 PolarHBondContact OG-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 3.38Å; S132-Q135 WeakPolarHBondContact CB-O 3.47Å; S132-Q135 PolarHBondContact OG-N 3.42Å | ||
| 133 | K | 84.5 | Confident | 93.6 | Very high | 178 Ų | 178 | 71.5 Ų | 71.5 | 77% | 0.774 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -71.1 | -32.3 | 175.5 | -67.6 | -178.8 | -179.8 | 177.9 | 0 | 111.9 | Y131 | Y131-K133 HydrophobicContact CE1-CG 3.84Š|
| 134 | T | 86.8 | Confident | 93.7 | Very high | 138 Ų | 138 | 72.5 Ų | 72.5 | 85% | 0.847 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -94.9 | -29.1 | -174.7 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | S132 | S132-T134 VanDerWaalsContact C-N 3.35Å; S132-T134 PolarHBondContact OG-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 3.38Å |
| 135 | Q | 89.1 | Confident | 93.6 | Very high | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -124.1 | 100.2 | -178.8 | -169.1 | 179.9 | 16.1 | 0 | 0 | 111 | S132 | S132-Q135 WeakPolarHBondContact CB-O 3.47Å; S132-Q135 PolarHBondContact OG-N 3.42Å |
| 136 | K | 93.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 69 Ų | 69 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 133 | 176.9 | -64.7 | -174.5 | 178.4 | -171.6 | 0 | 110.8 | D122 | D122-K136 VanDerWaalsContact CG-NZ 3.32Å; D122-K136 IonicContact OD1-NZ 3.11Å; D122-K136 PolarHBondContact OD1-NZ 3.04Å; D122-K136 VanDerWaalsContact OD1-NZ 3.11Å; D122-K136 IonicContact OD2-NZ 2.85Å; D122-K136 PolarHBondContact OD2-NZ 3.27Å |
| 137 | L | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 147.5 | 167.4 | -65 | -179.4 | 0 | 0 | 0 | 111 | R125 E141 T142 L145 T180 L183 | R125-L137 PolarHBondContact NE-O 3.29Å; R125-L137 PolarHBondContact NH2-O 3.05Å; L137-E141 HydrophobicContact CB-CB 4.34Å; L137-T142 WeakPolarHBondContact CB-OG1 3.37Å; L137-T142 PolarHBondContact O-OG1 3.09Å; L137-L145 HydrophobicContact CD1-CD2 3.71Å; L137-T180 HydrophobicContact CD1-CG2 4.37Å; L137-T180 HydrophobicContact CD2-CG2 3.7Å; L137-L183 HydrophobicContact CD2-CD2 4.01Å |
| 138 | S | 97 | Very high | 93.9 | Very high | 58 Ų | 58 | 67.2 Ų | 67.2 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 163.6 | 174 | 80.8 | 0 | 0 | 0 | 0 | 111.1 | I140 E141 T142 | S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 WeakPolarHBondContact OG-CG2 3.32Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.29Å; S138-E141 PolarHBondContact OG-N 2.93Å; S138-T142 WeakPolarHBondContact O-CB 3.29Å; S138-T142 PolarHBondContact O-N 3.18Å; S138-T142 PolarHBondContact O-OG1 3.42Å |
| 139 | K | 98 | Very high | 94.1 | Very high | 106 Ų | 106 | 70 Ų | 70 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.2 | -46.1 | -179.3 | -58.7 | -165 | 167.4 | -177.4 | 0 | 111.4 | N118 L121 L143 | N118-K139 PolarHBondContact OD1-NZ 2.85Å; L121-K139 HydrophobicContact CD2-CB 4.05Å; L121-K139 HydrophobicContact CD2-CD 4.08Å; L121-K139 HydrophobicContact CD2-CG 3.6Å; K139-L143 VanDerWaalsContact O-CG 3.3Å; K139-L143 WeakPolarHBondContact O-CG 3.43Å; K139-L143 PolarHBondContact O-N 3.01Å |
| 140 | I | 98.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 74.2 Ų | 74.2 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | -178.4 | -174.9 | 59.6 | 0 | 0 | 0 | 112.3 | S138 T142 L143 R144 | S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 WeakPolarHBondContact OG-CG2 3.32Å; I140-T142 VanDerWaalsContact C-N 3.35Å; I140-T142 PolarHBondContact O-N 3.45Å; I140-L143 PolarHBondContact O-N 3.02Å; I140-R144 HydrophobicContact CD1-CG 4.29Å; I140-R144 HydrophobicContact CG1-CG 4.4Å; I140-R144 WeakPolarHBondContact O-CB 3.48Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 2.94Å |
| 141 | E | 97.6 | Very high | 95 | Very high | 9 Ų | 9 | 80.3 Ų | 80.3 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.8 | -38.3 | -179.8 | -64.6 | -66.3 | 102.5 | 0 | 0 | 111 | L137 S138 L143 R144 L145 L176 S177 T180 | L137-E141 HydrophobicContact CB-CB 4.34Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.29Å; S138-E141 PolarHBondContact OG-N 2.93Å; E141-L143 PolarHBondContact O-N 2.81Å; E141-R144 PolarHBondContact O-N 3Å; E141-R144 IonicContact OE1-CZ 2.82Å; E141-R144 IonicContact OE1-NH1 3.27Å; E141-R144 PolarHBondContact OE1-NH1 3.41Å; E141-L145 VanDerWaalsContact O-CB 3.29Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 PolarHBondContact O-N 2.95Å; E141-L176 WeakPolarHBondContact OE2-CA 3.41Å; E141-S177 WeakPolarHBondContact OE2-CB 3.43Å; E141-S177 PolarHBondContact OE2-N 3.41Å; E141-S177 PolarHBondContact OE2-OG 3.3Å; E141-T180 WeakPolarHBondContact OE2-CB 3.45Å; E141-T180 PolarHBondContact OE2-OG1 3.48Å |
| 142 | T | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L121 L124 R125 L137 S138 I140 A146 | L121-T142 HydrophobicContact CD1-CG2 3.93Å; L124-T142 HydrophobicContact CD2-CG2 4.07Å; L124-T142 HydrophobicContact CG-CG2 4.15Å; R125-T142 HydrophobicContact CG-CG2 3.59Å; R125-T142 PolarHBondContact NE-OG1 3.5Å; L137-T142 WeakPolarHBondContact CB-OG1 3.37Å; L137-T142 PolarHBondContact O-OG1 3.09Å; S138-T142 WeakPolarHBondContact O-CB 3.29Å; S138-T142 PolarHBondContact O-N 3.18Å; S138-T142 PolarHBondContact O-OG1 3.42Å; I140-T142 VanDerWaalsContact C-N 3.35Å; I140-T142 PolarHBondContact O-N 3.45Å; T142-A146 VanDerWaalsContact O-CB 3.29Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 3.34Å |
| 143 | L | 98.5 | Very high | 95.8 | Very high | 96 Ų | 96 | 77.5 Ų | 77.5 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | -179.6 | -67.9 | 174.2 | 0 | 0 | 0 | 112.4 | L124 K139 I140 E141 K147 | L124-L143 HydrophobicContact CD2-CD2 4.16Å; K139-L143 VanDerWaalsContact O-CG 3.3Å; K139-L143 WeakPolarHBondContact O-CG 3.43Å; K139-L143 PolarHBondContact O-N 3.01Å; I140-L143 PolarHBondContact O-N 3.02Å; E141-L143 PolarHBondContact O-N 2.81Å; L143-K147 WeakPolarHBondContact O-CB 3.37Å; L143-K147 PolarHBondContact O-N 3.18Å |
| 144 | R | 98.3 | Very high | 96.4 | Very high | 109 Ų | 109 | 72.1 Ų | 72.1 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 176 | -74.8 | 172.6 | 173.8 | 170.2 | -6.1 | 111.3 | I140 E141 A146 K147 N148 G175 L176 | I140-R144 HydrophobicContact CD1-CG 4.29Å; I140-R144 HydrophobicContact CG1-CG 4.4Å; I140-R144 WeakPolarHBondContact O-CB 3.48Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 2.94Å; E141-R144 PolarHBondContact O-N 3Å; E141-R144 IonicContact OE1-CZ 2.82Å; E141-R144 IonicContact OE1-NH1 3.27Å; E141-R144 PolarHBondContact OE1-NH1 3.41Å; R144-A146 PolarHBondContact O-N 3.29Å; R144-K147 PolarHBondContact O-N 3.35Å; R144-N148 VanDerWaalsContact O-CG 3.24Å; R144-N148 PolarHBondContact O-N 2.77Å; R144-N148 PolarHBondContact O-OD1 2.77Å; R144-G175 WeakPolarHBondContact CD-O 3.41Å; R144-G175 PolarHBondContact NH1-O 3.4Å; R144-L176 HydrophobicContact CB-CD2 3.68Å |
| 145 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | -179.6 | -175 | 58.6 | 0 | 0 | 0 | 111.4 | V128 L137 E141 N148 Y149 L172 L176 V184 | V128-L145 HydrophobicContact CG1-CB 3.91Å; V128-L145 HydrophobicContact CG1-CD2 3.35Å; V128-L145 HydrophobicContact CG1-CG 3.36Å; L137-L145 HydrophobicContact CD1-CD2 3.71Å; E141-L145 VanDerWaalsContact O-CB 3.29Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 PolarHBondContact O-N 2.95Å; L145-N148 PolarHBondContact O-N 3.07Å; L145-Y149 VanDerWaalsContact O-CB 3.3Å; L145-Y149 WeakPolarHBondContact O-CB 3.36Å; L145-Y149 PolarHBondContact O-N 3.25Å; L145-L172 HydrophobicContact CD1-CB 4.09Å; L145-L172 HydrophobicContact CD1-CD2 4.17Å; L145-L176 HydrophobicContact CB-CD1 4.4Å; L145-L176 HydrophobicContact CB-CD2 4.24Å; L145-L176 HydrophobicContact CD1-CD1 3.9Å; L145-V184 HydrophobicContact CD2-CG2 4.47Å |
| 146 | A | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -47.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L124 V128 T142 R144 N148 Y149 I150 | L124-A146 HydrophobicContact CD1-CB 4.07Å; L124-A146 HydrophobicContact CD2-CB 4.12Å; L124-A146 HydrophobicContact CG-CB 4.37Å; V128-A146 HydrophobicContact CG2-CB 3.76Å; T142-A146 VanDerWaalsContact O-CB 3.29Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 3.34Å; R144-A146 PolarHBondContact O-N 3.29Å; A146-N148 VanDerWaalsContact C-N 3.35Å; A146-N148 PolarHBondContact O-N 3.44Å; A146-Y149 PolarHBondContact O-N 3.4Å; A146-I150 WeakPolarHBondContact O-CG1 3.48Å; A146-I150 PolarHBondContact O-N 2.84Å |
| 147 | K | 98.5 | Very high | 97.2 | Very high | 155 Ų | 155 | 66.3 Ų | 66.3 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.4 | -48.4 | 175.6 | 176.5 | -172.2 | 173.3 | -177.9 | 0 | 111.3 | L143 R144 Y149 I150 W151 | L143-K147 WeakPolarHBondContact O-CB 3.37Å; L143-K147 PolarHBondContact O-N 3.18Å; R144-K147 PolarHBondContact O-N 3.35Å; K147-Y149 VanDerWaalsContact C-N 3.3Å; K147-Y149 PolarHBondContact O-N 2.69Å; K147-I150 PolarHBondContact O-N 3.15Å; K147-W151 PolarHBondContact O-N 2.99Å; K147-W151 VanDerWaalsContact O-N 3.1Å |
| 148 | N | 98.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | -179.8 | -68.1 | -9.2 | 0 | 0 | 0 | 111.2 | R144 L145 A146 W151 A152 T171 L172 K174 | R144-N148 VanDerWaalsContact O-CG 3.24Å; R144-N148 PolarHBondContact O-N 2.77Å; R144-N148 PolarHBondContact O-OD1 2.77Å; L145-N148 PolarHBondContact O-N 3.07Å; A146-N148 VanDerWaalsContact C-N 3.35Å; A146-N148 PolarHBondContact O-N 3.44Å; N148-W151 PolarHBondContact O-N 2.81Å; N148-A152 WeakPolarHBondContact O-CB 3.32Å; N148-A152 PolarHBondContact O-N 3.4Å; N148-T171 WeakPolarHBondContact CB-O 3.31Å; N148-T171 PolarHBondContact ND2-O 3.31Å; N148-L172 PolarHBondContact ND2-O 3.12Å; N148-K174 PolarHBondContact ND2-O 3.42Å |
| 149 | Y | 97.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 178.6 | -173.6 | -140.7 | 0 | 0 | 0 | 112.3 | P129 L145 A146 K147 W151 A152 L153 F168 L172 | P129-Y149 VanDerWaalsContact CD-CD1 3.48Å; P129-Y149 HydrophobicContact CG-CD1 3.96Å; P129-Y149 HydrophobicContact CG-CD2 3.68Å; P129-Y149 HydrophobicContact CG-CE1 4.01Å; P129-Y149 HydrophobicContact CG-CE2 3.76Å; P129-Y149 HydrophobicContact CG-CG 3.77Å; L145-Y149 VanDerWaalsContact O-CB 3.3Å; L145-Y149 WeakPolarHBondContact O-CB 3.36Å; L145-Y149 PolarHBondContact O-N 3.25Å; A146-Y149 PolarHBondContact O-N 3.4Å; K147-Y149 VanDerWaalsContact C-N 3.3Å; K147-Y149 PolarHBondContact O-N 2.69Å; Y149-W151 VanDerWaalsContact C-N 3.29Å; Y149-W151 PolarHBondContact O-N 3.01Å; Y149-A152 PolarHBondContact O-N 2.99Å; Y149-L153 HydrophobicContact CD1-CD1 4.22Å; Y149-L153 HydrophobicContact CD2-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD2 4.32Å; Y149-L153 HydrophobicContact CD2-CG 3.87Å; Y149-L153 HydrophobicContact CE1-CD1 3.85Å; Y149-L153 HydrophobicContact CE2-CD1 3.71Å; Y149-L153 HydrophobicContact CE2-CD2 3.65Å; Y149-L153 HydrophobicContact CE2-CG 3.6Å; Y149-L153 HydrophobicContact CG-CD1 4.36Å; Y149-L153 HydrophobicContact CG-CG 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.48Å; Y149-L153 PolarHBondContact O-N 3.42Å; Y149-F168 HydrophobicContact CD2-CZ 4.33Å; Y149-F168 HydrophobicContact CE2-CZ 4.14Å; Y149-L172 HydrophobicContact CD2-CD2 3.95Å; Y149-L172 HydrophobicContact CG-CD2 4.36Å |
| 150 | I | 98.3 | Very high | 96.7 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.5 | -46 | 173.8 | -68.1 | 165.9 | 0 | 0 | 0 | 110.3 | A146 K147 S154 | A146-I150 WeakPolarHBondContact O-CG1 3.48Å; A146-I150 PolarHBondContact O-N 2.84Å; K147-I150 PolarHBondContact O-N 3.15Å; I150-S154 WeakPolarHBondContact O-CB 3.46Å; I150-S154 PolarHBondContact O-N 3.29Å; I150-S154 PolarHBondContact O-OG 3.16Å |
| 151 | W | 97.6 | Very high | 96.3 | Very high | 147 Ų | 147 | 75.3 Ų | 75.3 | 56% | 0.557 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 177.9 | -177.7 | 89.7 | 0 | 0 | 0 | 111.8 | K147 N148 Y149 L153 S154 E155 T171 | K147-W151 PolarHBondContact O-N 2.99Å; K147-W151 VanDerWaalsContact O-N 3.1Å; N148-W151 PolarHBondContact O-N 2.81Å; Y149-W151 VanDerWaalsContact C-N 3.29Å; Y149-W151 PolarHBondContact O-N 3.01Å; W151-L153 PolarHBondContact O-N 3.36Å; W151-S154 WeakPolarHBondContact O-CB 3.49Å; W151-S154 PolarHBondContact O-N 3.31Å; W151-E155 PolarHBondContact O-N 3.39Å; W151-T171 HydrophobicContact CD2-CG2 4.35Å; W151-T171 HydrophobicContact CE3-CG2 3.13Å; W151-T171 HydrophobicContact CH2-CG2 4.45Å; W151-T171 HydrophobicContact CZ3-CG2 3.19Å; W151-T171 WeakPolarHBondContact CZ3-OG1 3.3Å |
| 152 | A | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 80.2 Ų | 80.2 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.7 | -46.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N148 Y149 S154 E155 I156 F168 T171 | N148-A152 WeakPolarHBondContact O-CB 3.32Å; N148-A152 PolarHBondContact O-N 3.4Å; Y149-A152 PolarHBondContact O-N 2.99Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 2.92Å; A152-E155 PolarHBondContact O-N 3.4Å; A152-I156 WeakPolarHBondContact O-CD1 3.39Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.98Å; A152-I156 VanDerWaalsContact O-N 3.1Å; A152-F168 HydrophobicContact CB-CD2 3.9Å; A152-F168 HydrophobicContact CB-CE2 3.61Å; A152-T171 HydrophobicContact CB-CG2 3.77Å |
| 153 | L | 96.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 82.9 Ų | 82.9 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.4 | -66.8 | -177.8 | 0 | 0 | 0 | 112.1 | Y149 W151 E155 I156 L157 | Y149-L153 HydrophobicContact CD1-CD1 4.22Å; Y149-L153 HydrophobicContact CD2-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD2 4.32Å; Y149-L153 HydrophobicContact CD2-CG 3.87Å; Y149-L153 HydrophobicContact CE1-CD1 3.85Å; Y149-L153 HydrophobicContact CE2-CD1 3.71Å; Y149-L153 HydrophobicContact CE2-CD2 3.65Å; Y149-L153 HydrophobicContact CE2-CG 3.6Å; Y149-L153 HydrophobicContact CG-CD1 4.36Å; Y149-L153 HydrophobicContact CG-CG 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.48Å; Y149-L153 PolarHBondContact O-N 3.42Å; W151-L153 PolarHBondContact O-N 3.36Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; L153-I156 HydrophobicContact CD2-CD1 4.26Å; L153-I156 PolarHBondContact O-N 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.45Å |
| 154 | S | 97.3 | Very high | 94.7 | Very high | 64 Ų | 64 | 82.8 Ų | 82.8 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | I150 W151 A152 R158 | I150-S154 WeakPolarHBondContact O-CB 3.46Å; I150-S154 PolarHBondContact O-N 3.29Å; I150-S154 PolarHBondContact O-OG 3.16Å; W151-S154 WeakPolarHBondContact O-CB 3.49Å; W151-S154 PolarHBondContact O-N 3.31Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 2.92Å; S154-R158 VanDerWaalsContact O-CB 3.3Å; S154-R158 WeakPolarHBondContact O-CB 3.46Å; S154-R158 PolarHBondContact O-N 3.17Å |
| 155 | E | 95 | Very high | 94.3 | Very high | 58 Ų | 58 | 81.8 Ų | 81.8 | 27% | 0.271 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 178.1 | -171.8 | 56.8 | -153.7 | 0 | 0 | 112.7 | W151 A152 L153 R158 S159 | W151-E155 PolarHBondContact O-N 3.39Å; A152-E155 PolarHBondContact O-N 3.4Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.26Å; E155-R158 VanDerWaalsContact OE1-CZ 3.26Å; E155-R158 IonicContact OE1-NE 3.74Å; E155-R158 IonicContact OE1-NH2 2.61Å; E155-R158 PolarHBondContact OE1-NH2 2.6Å; E155-R158 IonicContact OE2-CZ 3.17Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.14Å; E155-R158 IonicContact OE2-NH2 2.64Å; E155-R158 PolarHBondContact OE2-NH2 3.44Å; E155-S159 WeakPolarHBondContact O-CB 3.49Å; E155-S159 PolarHBondContact O-N 2.82Å; E155-S159 PolarHBondContact O-OG 3.45Å |
| 156 | I | 94.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 84.6 Ų | 84.6 | 23% | 0.226 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.9 | -66.2 | 162.4 | 0 | 0 | 0 | 110.1 | A152 L153 R158 S159 G160 P163 F168 | A152-I156 WeakPolarHBondContact O-CD1 3.39Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.98Å; A152-I156 VanDerWaalsContact O-N 3.1Å; L153-I156 HydrophobicContact CD2-CD1 4.26Å; L153-I156 PolarHBondContact O-N 3.23Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; I156-S159 PolarHBondContact O-N 3.27Å; I156-S159 PolarHBondContact O-OG 3.46Å; I156-G160 PolarHBondContact O-N 3.05Å; I156-P163 HydrophobicContact CD1-CB 4.06Å; I156-P163 HydrophobicContact CD1-CG 3.58Å; I156-P163 HydrophobicContact CG1-CB 3.85Å; I156-P163 HydrophobicContact CG1-CG 3.78Å; I156-F168 HydrophobicContact CD1-CD2 4.08Å; I156-F168 HydrophobicContact CD1-CE2 3.91Å |
| 157 | L | 96 | Very high | 93.6 | Very high | 150 Ų | 150 | 86.4 Ų | 86.4 | 79% | 0.785 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.2 | -38.6 | 178.3 | -68.1 | 174.4 | 0 | 0 | 0 | 112.1 | L153 | L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.45Å |
| 158 | R | 95.6 | Very high | 93.3 | Very high | 184 Ų | 184 | 80.8 Ų | 80.8 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.7 | -39.4 | 179.3 | -174.3 | 176.8 | 67.9 | 83.6 | -11.7 | 113.1 | S154 E155 I156 | S154-R158 VanDerWaalsContact O-CB 3.3Å; S154-R158 WeakPolarHBondContact O-CB 3.46Å; S154-R158 PolarHBondContact O-N 3.17Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.26Å; E155-R158 VanDerWaalsContact OE1-CZ 3.26Å; E155-R158 IonicContact OE1-NE 3.74Å; E155-R158 IonicContact OE1-NH2 2.61Å; E155-R158 PolarHBondContact OE1-NH2 2.6Å; E155-R158 IonicContact OE2-CZ 3.17Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.14Å; E155-R158 IonicContact OE2-NH2 2.64Å; E155-R158 PolarHBondContact OE2-NH2 3.44Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å |
| 159 | S | 93.1 | Very high | 93 | Very high | 51 Ų | 51 | 80 Ų | 80 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -81 | -23.6 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | E155 I156 K161 | E155-S159 WeakPolarHBondContact O-CB 3.49Å; E155-S159 PolarHBondContact O-N 2.82Å; E155-S159 PolarHBondContact O-OG 3.45Å; I156-S159 PolarHBondContact O-N 3.27Å; I156-S159 PolarHBondContact O-OG 3.46Å; S159-K161 PolarHBondContact O-N 3.11Å |
| 160 | G | 91.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 82.1 Ų | 82.1 | 73% | 0.732 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I156 | I156-G160 PolarHBondContact O-N 3.05Š|
| 161 | K | 88.4 | Confident | 92.6 | Very high | 160 Ų | 160 | 78.1 Ų | 78.1 | 70% | 0.696 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -119.5 | 150.5 | -176.5 | -65.7 | 174.2 | -172.9 | 179.5 | 0 | 110 | S159 | S159-K161 PolarHBondContact O-N 3.11Š|
| 162 | S | 84.9 | Confident | 92.5 | Very high | 111 Ų | 111 | 71.1 Ų | 71.1 | 78% | 0.776 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 128.5 | 167.7 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 163 | P | 86.4 | Confident | 92.5 | Very high | 57 Ų | 57 | 71.8 Ų | 71.8 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 145.2 | 178.9 | 30.5 | -36.8 | 0 | 0 | 0 | 110.5 | I156 L165 F168 | I156-P163 HydrophobicContact CD1-CB 4.06Å; I156-P163 HydrophobicContact CD1-CG 3.58Å; I156-P163 HydrophobicContact CG1-CB 3.85Å; I156-P163 HydrophobicContact CG1-CG 3.78Å; P163-L165 PolarHBondContact O-N 3.06Å; P163-F168 HydrophobicContact CB-CB 4.3Å; P163-F168 HydrophobicContact CB-CD2 4.43Å; P163-F168 HydrophobicContact CG-CD2 4.38Å |
| 164 | D | 90.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 76.3 Ų | 76.3 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 129.6 | 164.3 | 164.2 | 56.3 | 0 | 0 | 0 | 109.3 | V166 S167 F168 | D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.44Å; D164-V166 WeakPolarHBondContact OD2-CB 3.42Å; D164-V166 PolarHBondContact OD2-N 3.49Å; D164-S167 PolarHBondContact O-N 3.32Å; D164-S167 PolarHBondContact O-OG 2.93Å; D164-S167 PolarHBondContact OD2-N 2.97Å; D164-F168 WeakPolarHBondContact O-CB 3.37Å; D164-F168 PolarHBondContact O-N 3.32Å |
| 165 | L | 88.9 | Confident | 92.4 | Very high | 88 Ų | 88 | 75.9 Ų | 75.9 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | -173.1 | -178 | 56.2 | 0 | 0 | 0 | 111.9 | P163 F168 V169 L190 | P163-L165 PolarHBondContact O-N 3.06Å; L165-F168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 4.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 2.95Å; L165-L190 HydrophobicContact CD1-CD2 4.37Å; L165-L190 HydrophobicContact CD2-CD2 3.53Å; L165-L190 HydrophobicContact CG-CD2 3.83Å |
| 166 | V | 90.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | D164 F168 V169 Q170 F195 | D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.44Å; D164-V166 WeakPolarHBondContact OD2-CB 3.42Å; D164-V166 PolarHBondContact OD2-N 3.49Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.17Å; V166-V169 PolarHBondContact O-N 2.9Å; V166-Q170 WeakPolarHBondContact O-CG 3.2Å; V166-Q170 PolarHBondContact O-N 3.29Å; V166-F195 HydrophobicContact CB-CE1 4.15Å; V166-F195 HydrophobicContact CB-CZ 4.17Å; V166-F195 HydrophobicContact CG1-CD1 4.47Å; V166-F195 HydrophobicContact CG1-CE1 3.48Å; V166-F195 VanDerWaalsContact CG1-CE1 3.48Å; V166-F195 HydrophobicContact CG1-CZ 3.96Å; V166-F195 HydrophobicContact CG2-CE1 4.44Å; V166-F195 HydrophobicContact CG2-CZ 4.07Å |
| 167 | S | 91 | Very high | 92.6 | Very high | 49 Ų | 49 | 74.1 Ų | 74.1 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.7 | 77.2 | 0 | 0 | 0 | 0 | 113.3 | D164 T171 | D164-S167 PolarHBondContact O-N 3.32Å; D164-S167 PolarHBondContact O-OG 2.93Å; D164-S167 PolarHBondContact OD2-N 2.97Å; S167-T171 WeakPolarHBondContact O-CB 3.39Å; S167-T171 PolarHBondContact O-N 3.5Å; S167-T171 PolarHBondContact O-OG1 3.46Å |
| 168 | F | 92.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 73 Ų | 73 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.5 | -177.6 | -105.2 | 0 | 0 | 0 | 111.2 | Y149 A152 I156 P163 D164 L165 V166 T171 L172 | Y149-F168 HydrophobicContact CD2-CZ 4.33Å; Y149-F168 HydrophobicContact CE2-CZ 4.14Å; A152-F168 HydrophobicContact CB-CD2 3.9Å; A152-F168 HydrophobicContact CB-CE2 3.61Å; I156-F168 HydrophobicContact CD1-CD2 4.08Å; I156-F168 HydrophobicContact CD1-CE2 3.91Å; P163-F168 HydrophobicContact CB-CB 4.3Å; P163-F168 HydrophobicContact CB-CD2 4.43Å; P163-F168 HydrophobicContact CG-CD2 4.38Å; D164-F168 WeakPolarHBondContact O-CB 3.37Å; D164-F168 PolarHBondContact O-N 3.32Å; L165-F168 PolarHBondContact O-N 3.28Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.17Å; F168-T171 VanDerWaalsContact O-CB 3.32Å; F168-T171 WeakPolarHBondContact O-CB 3.43Å; F168-T171 PolarHBondContact O-N 2.98Å; F168-L172 HydrophobicContact CD1-CD1 3.94Å; F168-L172 HydrophobicContact CD1-CG 4.43Å; F168-L172 HydrophobicContact CE1-CD1 3.42Å; F168-L172 VanDerWaalsContact CE1-CD1 3.42Å; F168-L172 HydrophobicContact CE1-CG 4.12Å; F168-L172 HydrophobicContact CZ-CD1 3.88Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 HydrophobicContact CZ-CG 4.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.19Å |
| 169 | V | 92.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.3 | -41.9 | 179.8 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | L165 V166 T171 L172 C173 L188 L190 F195 | L165-V169 HydrophobicContact CD1-CG2 4.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 2.95Å; V166-V169 PolarHBondContact O-N 2.9Å; V169-T171 PolarHBondContact O-N 3.1Å; V169-L172 PolarHBondContact O-N 3.48Å; V169-L172 VanDerWaalsContact O-N 3.14Å; V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 3.22Å; V169-C173 PolarHBondContact O-SG 3.42Å; V169-L188 HydrophobicContact CG2-CD1 3.49Å; V169-L188 VanDerWaalsContact CG2-CD1 3.49Å; V169-L190 HydrophobicContact CB-CD1 3.88Å; V169-L190 HydrophobicContact CG1-CD1 3.82Å; V169-L190 HydrophobicContact CG2-CD1 3.15Å; V169-F195 HydrophobicContact CB-CZ 4.29Å; V169-F195 HydrophobicContact CG1-CZ 4.3Å |
| 170 | Q | 93 | Very high | 92.4 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.1 | -40.3 | 173.7 | -75 | 176.2 | -3.6 | 0 | 0 | 111.5 | V166 K174 F195 | V166-Q170 WeakPolarHBondContact O-CG 3.2Å; V166-Q170 PolarHBondContact O-N 3.29Å; Q170-K174 PolarHBondContact O-N 3.18Å; Q170-F195 HydrophobicContact CG-CD1 4.06Å; Q170-F195 HydrophobicContact CG-CE1 3.92Å |
| 171 | T | 94.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 65 Ų | 65 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | N148 W151 A152 S167 F168 V169 C173 K174 | N148-T171 WeakPolarHBondContact CB-O 3.31Å; N148-T171 PolarHBondContact ND2-O 3.31Å; W151-T171 HydrophobicContact CD2-CG2 4.35Å; W151-T171 HydrophobicContact CE3-CG2 3.13Å; W151-T171 HydrophobicContact CH2-CG2 4.45Å; W151-T171 HydrophobicContact CZ3-CG2 3.19Å; W151-T171 WeakPolarHBondContact CZ3-OG1 3.3Å; A152-T171 HydrophobicContact CB-CG2 3.77Å; S167-T171 WeakPolarHBondContact O-CB 3.39Å; S167-T171 PolarHBondContact O-N 3.5Å; S167-T171 PolarHBondContact O-OG1 3.46Å; F168-T171 VanDerWaalsContact O-CB 3.32Å; F168-T171 WeakPolarHBondContact O-CB 3.43Å; F168-T171 PolarHBondContact O-N 2.98Å; V169-T171 PolarHBondContact O-N 3.1Å; T171-C173 VanDerWaalsContact C-N 3.32Å; T171-C173 PolarHBondContact O-N 3.38Å; T171-K174 WeakPolarHBondContact O-CB 3.47Å; T171-K174 PolarHBondContact O-N 3.13Å |
| 172 | L | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 179.6 | -73.2 | -177 | 0 | 0 | 0 | 111.7 | P129 L145 N148 Y149 F168 V169 K174 L176 V184 L188 | P129-L172 HydrophobicContact CB-CD1 4.44Å; P129-L172 HydrophobicContact CG-CD1 4.34Å; P129-L172 HydrophobicContact CG-CD2 4.41Å; L145-L172 HydrophobicContact CD1-CB 4.09Å; L145-L172 HydrophobicContact CD1-CD2 4.17Å; N148-L172 PolarHBondContact ND2-O 3.12Å; Y149-L172 HydrophobicContact CD2-CD2 3.95Å; Y149-L172 HydrophobicContact CG-CD2 4.36Å; F168-L172 HydrophobicContact CD1-CD1 3.94Å; F168-L172 HydrophobicContact CD1-CG 4.43Å; F168-L172 HydrophobicContact CE1-CD1 3.42Å; F168-L172 VanDerWaalsContact CE1-CD1 3.42Å; F168-L172 HydrophobicContact CE1-CG 4.12Å; F168-L172 HydrophobicContact CZ-CD1 3.88Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 HydrophobicContact CZ-CG 4.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.19Å; V169-L172 PolarHBondContact O-N 3.48Å; V169-L172 VanDerWaalsContact O-N 3.14Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CD1 3.43Å; L172-V184 HydrophobicContact CB-CG1 4.49Å; L172-V184 HydrophobicContact CD1-CG1 4.46Å; L172-L188 HydrophobicContact CD1-CD1 4.3Å |
| 173 | C | 95.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.4 | -6.5 | -174.6 | -63.7 | 0 | 0 | 0 | 0 | 114.2 | V169 T171 G175 L176 T181 | V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 3.22Å; V169-C173 PolarHBondContact O-SG 3.42Å; T171-C173 VanDerWaalsContact C-N 3.32Å; T171-C173 PolarHBondContact O-N 3.38Å; C173-G175 PolarHBondContact O-N 3.36Å; C173-G175 VanDerWaalsContact O-N 3.09Å; C173-L176 WeakPolarHBondContact O-CB 3.22Å; C173-L176 PolarHBondContact O-N 3.3Å; C173-L176 VanDerWaalsContact O-N 3.07Å; C173-T181 HydrophobicContact CB-CG2 3.96Å |
| 174 | K | 95.7 | Very high | 93.1 | Very high | 160 Ų | 160 | 55.5 Ų | 55.5 | 70% | 0.696 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 115.8 | -175.8 | -174.5 | 176.8 | 179.9 | 175.2 | 0 | 111.9 | N148 Q170 T171 L172 L176 | N148-K174 PolarHBondContact ND2-O 3.42Å; Q170-K174 PolarHBondContact O-N 3.18Å; T171-K174 WeakPolarHBondContact O-CB 3.47Å; T171-K174 PolarHBondContact O-N 3.13Å; L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 3Å; K174-L176 PolarHBondContact O-N 3.44Å |
| 175 | G | 95.7 | Very high | 93 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 11.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R144 C173 | R144-G175 WeakPolarHBondContact CD-O 3.41Å; R144-G175 PolarHBondContact NH1-O 3.4Å; C173-G175 PolarHBondContact O-N 3.36Å; C173-G175 VanDerWaalsContact O-N 3.09Å |
| 176 | L | 96.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | trans | -80.5 | 156.8 | 167.9 | -59.6 | -176.8 | 0 | 0 | 0 | 110.7 | E141 R144 L145 L172 C173 K174 T180 V184 | E141-L176 WeakPolarHBondContact OE2-CA 3.41Å; R144-L176 HydrophobicContact CB-CD2 3.68Å; L145-L176 HydrophobicContact CB-CD1 4.4Å; L145-L176 HydrophobicContact CB-CD2 4.24Å; L145-L176 HydrophobicContact CD1-CD1 3.9Å; L172-L176 WeakPolarHBondContact O-CD1 3.43Å; C173-L176 WeakPolarHBondContact O-CB 3.22Å; C173-L176 PolarHBondContact O-N 3.3Å; C173-L176 VanDerWaalsContact O-N 3.07Å; K174-L176 PolarHBondContact O-N 3.44Å; L176-T180 HydrophobicContact CB-CG2 4.2Å; L176-T180 HydrophobicContact CD1-CG2 3.73Å; L176-T180 HydrophobicContact CD2-CG2 4.42Å; L176-T180 HydrophobicContact CG-CG2 4.34Å; L176-V184 HydrophobicContact CD1-CG2 4.39Å | ||
| 177 | S | 96.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | trans | -65.8 | 150.3 | 170.1 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | E141 P179 T180 T181 | E141-S177 WeakPolarHBondContact OE2-CB 3.43Å; E141-S177 PolarHBondContact OE2-N 3.41Å; E141-S177 PolarHBondContact OE2-OG 3.3Å; S177-P179 VanDerWaalsContact C-CD 3.48Å; S177-T180 WeakPolarHBondContact O-CB 3.43Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 WeakPolarHBondContact OG-CB 3.35Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; S177-T181 PolarHBondContact O-N 2.81Å; S177-T181 PolarHBondContact O-OG1 3.4Å | ||
| 178 | Q | 94 | Very high | 92 | Very high | 125 Ų | 125 | 50.6 Ų | 50.6 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -53.2 | -44 | 179.4 | -171.8 | 64.1 | 45.8 | 0 | 0 | 113.8 | T180 T181 N182 | Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 2.72Å; Q178-T181 PolarHBondContact O-N 3.02Å; Q178-N182 PolarHBondContact NE2-OD1 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 PolarHBondContact O-OD1 3.38Å |
| 179 | P | 93.5 | Very high | 90.9 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.4 | -36.2 | 177.3 | -22.9 | 35.3 | 0 | 0 | 0 | 112.7 | S177 N182 L183 | S177-P179 VanDerWaalsContact C-CD 3.48Å; P179-N182 PolarHBondContact O-N 3.4Å; P179-L183 PolarHBondContact O-N 2.9Å |
| 180 | T | 93.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.3 | -41.4 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111 | L137 E141 L176 S177 Q178 N182 L183 V184 | L137-T180 HydrophobicContact CD1-CG2 4.37Å; L137-T180 HydrophobicContact CD2-CG2 3.7Å; E141-T180 WeakPolarHBondContact OE2-CB 3.45Å; E141-T180 PolarHBondContact OE2-OG1 3.48Å; L176-T180 HydrophobicContact CB-CG2 4.2Å; L176-T180 HydrophobicContact CD1-CG2 3.73Å; L176-T180 HydrophobicContact CD2-CG2 4.42Å; L176-T180 HydrophobicContact CG-CG2 4.34Å; S177-T180 WeakPolarHBondContact O-CB 3.43Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 WeakPolarHBondContact OG-CB 3.35Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; Q178-T180 VanDerWaalsContact C-N 3.27Å; Q178-T180 PolarHBondContact O-N 2.72Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.46Å; T180-L183 WeakPolarHBondContact O-CB 3.43Å; T180-L183 PolarHBondContact O-N 2.89Å; T180-L183 VanDerWaalsContact O-N 3.16Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.91Å |
| 181 | T | 93.9 | Very high | 87.3 | Confident | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 172.7 | -62 | 0 | 0 | 0 | 0 | 111.6 | C173 S177 Q178 L183 V184 A185 | C173-T181 HydrophobicContact CB-CG2 3.96Å; S177-T181 PolarHBondContact O-N 2.81Å; S177-T181 PolarHBondContact O-OG1 3.4Å; Q178-T181 PolarHBondContact O-N 3.02Å; T181-L183 VanDerWaalsContact C-N 3.35Å; T181-L183 PolarHBondContact O-N 3.46Å; T181-V184 PolarHBondContact O-N 3.18Å; T181-A185 PolarHBondContact O-N 3.27Å |
| 182 | N | 90.6 | Very high | 85.3 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176.3 | -67.2 | -9.1 | 0 | 0 | 0 | 111.9 | Q178 P179 T180 A185 G186 | Q178-N182 PolarHBondContact NE2-OD1 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 PolarHBondContact O-OD1 3.38Å; P179-N182 PolarHBondContact O-N 3.4Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.46Å; N182-A185 PolarHBondContact O-N 3.01Å; N182-G186 PolarHBondContact O-N 3.5Å |
| 183 | L | 90.6 | Very high | 83.3 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 174.5 | -179.6 | 66.1 | 0 | 0 | 0 | 111 | L137 P179 T180 T181 A185 G186 C187 | L137-L183 HydrophobicContact CD2-CD2 4.01Å; P179-L183 PolarHBondContact O-N 2.9Å; T180-L183 WeakPolarHBondContact O-CB 3.43Å; T180-L183 PolarHBondContact O-N 2.89Å; T180-L183 VanDerWaalsContact O-N 3.16Å; T181-L183 VanDerWaalsContact C-N 3.35Å; T181-L183 PolarHBondContact O-N 3.46Å; L183-A185 PolarHBondContact O-N 2.92Å; L183-G186 PolarHBondContact O-N 2.84Å; L183-C187 WeakPolarHBondContact O-CB 3.46Å; L183-C187 PolarHBondContact O-N 2.87Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.35Å |
| 184 | V | 90.3 | Very high | 81.4 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.006 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 178 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | C130 L145 L172 L176 T180 T181 G186 C187 L188 | C130-V184 HydrophobicContact CB-CG2 4.48Å; L145-V184 HydrophobicContact CD2-CG2 4.47Å; L172-V184 HydrophobicContact CB-CG1 4.49Å; L172-V184 HydrophobicContact CD1-CG1 4.46Å; L176-V184 HydrophobicContact CD1-CG2 4.39Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.91Å; T181-V184 PolarHBondContact O-N 3.18Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 3.12Å; V184-C187 PolarHBondContact O-N 2.86Å; V184-L188 HydrophobicContact CG1-CD1 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.35Å; V184-L188 VanDerWaalsContact O-N 3.1Å |
| 185 | A | 86.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T181 N182 L183 L188 Q189 L190 | T181-A185 PolarHBondContact O-N 3.27Å; N182-A185 PolarHBondContact O-N 3.01Å; L183-A185 PolarHBondContact O-N 2.92Å; A185-L188 PolarHBondContact O-N 3.36Å; A185-Q189 PolarHBondContact O-N 3.43Å; A185-L190 PolarHBondContact O-N 3.5Å |
| 186 | G | 84.9 | Confident | 77.1 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | N182 L183 V184 L188 Q189 | N182-G186 PolarHBondContact O-N 3.5Å; L183-G186 PolarHBondContact O-N 2.84Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 3.12Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.95Å; G186-Q189 PolarHBondContact O-N 2.88Å |
| 187 | C | 84.4 | Confident | 74.7 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 178.5 | -72.3 | 0 | 0 | 0 | 0 | 113.2 | C130 L183 V184 Q189 | C130-C187 HydrophobicContact CB-CB 3.82Å; C130-C187 VanDerWaalsContact CB-SG 3.55Å; C130-C187 WeakPolarHBondContact SG-CB 3.43Å; L183-C187 WeakPolarHBondContact O-CB 3.46Å; L183-C187 PolarHBondContact O-N 2.87Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.35Å; V184-C187 PolarHBondContact O-N 2.86Å; C187-Q189 VanDerWaalsContact C-N 3.32Å |
| 188 | L | 79.4 | Confident | 72.3 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 7.3 | 177.5 | -63.1 | 174.6 | 0 | 0 | 0 | 112.9 | V169 L172 V184 A185 G186 L190 | V169-L188 HydrophobicContact CG2-CD1 3.49Å; V169-L188 VanDerWaalsContact CG2-CD1 3.49Å; L172-L188 HydrophobicContact CD1-CD1 4.3Å; V184-L188 HydrophobicContact CG1-CD1 3.91Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.35Å; V184-L188 VanDerWaalsContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.36Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.95Å; L188-L190 HydrophobicContact CB-CD1 3.91Å; L188-L190 HydrophobicContact CB-CG 3.9Å; L188-L190 HydrophobicContact CD1-CD1 4.48Å; L188-L190 PolarHBondContact O-N 3.11Å; L188-L190 VanDerWaalsContact O-N 3.17Å |
| 189 | Q | 70.8 | Confident | 69.8 | Low | 182 Ų | 182 | 86.6 Ų | 86.6 | 85% | 0.85 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.8 | -179.5 | -59.8 | 171.2 | 22.8 | 0 | 0 | 113.1 | A185 G186 C187 | A185-Q189 PolarHBondContact O-N 3.43Å; G186-Q189 PolarHBondContact O-N 2.88Å; C187-Q189 VanDerWaalsContact C-N 3.32Å |
| 190 | L | 60.9 | Low | 66.9 | Low | 26 Ų | 26 | 88.5 Ų | 88.5 | 14% | 0.136 | 47% | 0.472 | C | S | . | . | trans | -87.4 | 130.9 | 179.1 | -59.8 | 175.3 | 0 | 0 | 0 | 109.2 | L165 V169 A185 L188 P192 F195 | L165-L190 HydrophobicContact CD1-CD2 4.37Å; L165-L190 HydrophobicContact CD2-CD2 3.53Å; L165-L190 HydrophobicContact CG-CD2 3.83Å; V169-L190 HydrophobicContact CB-CD1 3.88Å; V169-L190 HydrophobicContact CG1-CD1 3.82Å; V169-L190 HydrophobicContact CG2-CD1 3.15Å; A185-L190 PolarHBondContact O-N 3.5Å; L188-L190 HydrophobicContact CB-CD1 3.91Å; L188-L190 HydrophobicContact CB-CG 3.9Å; L188-L190 HydrophobicContact CD1-CD1 4.48Å; L188-L190 PolarHBondContact O-N 3.11Å; L188-L190 VanDerWaalsContact O-N 3.17Å; L190-P192 WeakPolarHBondContact O-CD 3.41Å; L190-P192 VanDerWaalsContact O-N 3.13Å; L190-F195 HydrophobicContact CB-CE2 4.26Å; L190-F195 HydrophobicContact CD1-CE2 4.04Å; L190-F195 HydrophobicContact CD1-CZ 4.34Å | ||
| 191 | N | 48.7 | Very low | 64.1 | Low | 124 Ų | 124 | 95.9 Ų | 95.9 | 66% | 0.663 | 51% | 0.506 | S | S | * | . | trans | -55.7 | 119.8 | 172.4 | -86.2 | -64.6 | 0 | 0 | 0 | 109.1 | R193 T194 | N191-R193 PolarHBondContact O-N 2.96Å; N191-T194 PolarHBondContact O-N 3.32Å; N191-T194 VanDerWaalsContact O-N 3.15Å; N191-T194 PolarHBondContact O-OG1 3.38Å | ||
| 192 | P | 53.6 | Low | 61.6 | Low | 95 Ų | 95 | 102 Ų | 102 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -63.2 | -10.5 | -175 | 23.4 | -33.2 | 0 | 0 | 0 | 113.5 | L190 | L190-P192 WeakPolarHBondContact O-CD 3.41Å; L190-P192 VanDerWaalsContact O-N 3.13Å |
| 193 | R | 51.9 | Low | 59.2 | Low | 210 Ų | 210 | 106 Ų | 106 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -77.5 | -13.5 | 178.2 | -75.8 | -82.1 | -92.5 | 144.8 | -5.6 | 114.5 | N191 | N191-R193 PolarHBondContact O-N 2.96Š|
| 194 | T | 56 | Low | 56.8 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 56% | 0.564 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -84.4 | -4.6 | -177.6 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | N191 | N191-T194 PolarHBondContact O-N 3.32Å; N191-T194 VanDerWaalsContact O-N 3.15Å; N191-T194 PolarHBondContact O-OG1 3.38Å |
| 195 | F | 52.1 | Low | 54.8 | Low | 53 Ų | 53 | 114.9 Ų | 114.9 | 23% | 0.232 | 62% | 0.616 | C | S | . | * | trans | -132 | 12.8 | -170.8 | -61.6 | -81.7 | 0 | 0 | 0 | 115.7 | V166 V169 Q170 L190 P197 | V166-F195 HydrophobicContact CB-CE1 4.15Å; V166-F195 HydrophobicContact CB-CZ 4.17Å; V166-F195 HydrophobicContact CG1-CD1 4.47Å; V166-F195 HydrophobicContact CG1-CE1 3.48Å; V166-F195 VanDerWaalsContact CG1-CE1 3.48Å; V166-F195 HydrophobicContact CG1-CZ 3.96Å; V166-F195 HydrophobicContact CG2-CE1 4.44Å; V166-F195 HydrophobicContact CG2-CZ 4.07Å; V169-F195 HydrophobicContact CB-CZ 4.29Å; V169-F195 HydrophobicContact CG1-CZ 4.3Å; Q170-F195 HydrophobicContact CG-CD1 4.06Å; Q170-F195 HydrophobicContact CG-CE1 3.92Å; L190-F195 HydrophobicContact CB-CE2 4.26Å; L190-F195 HydrophobicContact CD1-CE2 4.04Å; L190-F195 HydrophobicContact CD1-CZ 4.34Å; F195-P197 WeakPolarHBondContact O-CD 3.25Å | ||
| 196 | L | 49.6 | Very low | 52.7 | Low | 132 Ų | 132 | 122.2 Ų | 122.2 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | trans | -66.1 | 117.8 | 165.8 | -83.8 | 165.6 | 0 | 0 | 0 | 107.9 | E198 | L196-E198 PolarHBondContact O-N 2.88Š| ||
| 197 | P | 47.3 | Very low | 50.8 | Low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -62.3 | 122.6 | 171.8 | -13.3 | 28.6 | 0 | 0 | 0 | 107 | F195 Q199 | F195-P197 WeakPolarHBondContact O-CD 3.25Å; P197-Q199 PolarHBondContact O-N 3.46Å | ||
| 198 | E | 45.5 | Very low | 49.1 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | trans | -52.2 | 104.5 | 166.9 | -173 | -171.3 | 111.3 | 0 | 0 | 108.2 | L196 N200 | L196-E198 PolarHBondContact O-N 2.88Å; E198-N200 PolarHBondContact O-N 2.99Å | ||
| 199 | Q | 41.2 | Very low | 47.7 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -80.8 | 95.4 | 176.7 | -172.8 | 173.9 | 15.2 | 0 | 0 | 108 | P197 | P197-Q199 PolarHBondContact O-N 3.46Š| ||
| 200 | N | 33.3 | Very low | 46.1 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | 50.4 | 99 | 158.7 | -60 | -60.3 | 0 | 0 | 0 | 117.6 | E198 | E198-N200 PolarHBondContact O-N 2.99Š| ||
| 201 | Q | 34.5 | Very low | 45.6 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -101.6 | 92.8 | 150.8 | -68.9 | -169.9 | 25 | 0 | 0 | 109.9 | ||||
| 202 | D | 40.4 | Very low | 45.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -94.4 | 94.2 | 154.4 | -105.8 | -59.6 | 0 | 0 | 0 | 107.4 | ||||
| 203 | M | 40.9 | Very low | 44.4 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | trans | -157.7 | 135 | 162.2 | -156.6 | 57.3 | 147.9 | 0 | 0 | 110.3 | ||||
| 204 | P | 40 | Very low | 43.8 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | trans | -81.1 | 166.5 | -159.1 | 33.9 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 205 | P | 49.3 | Very low | 43.3 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -86.2 | 127.5 | -159.3 | 33.3 | -31.4 | 0 | 0 | 0 | 112.2 | ||||
| 206 | H | 42.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -157.1 | 126.2 | 145 | 63.7 | -76.2 | 0 | 0 | 0 | 113.1 | ||||
| 207 | L | 44.1 | Very low | 42.4 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 79 | 152.1 | 153.3 | -78.5 | 145.1 | 0 | 0 | 0 | 119.2 | ||||
| 208 | P | 49.6 | Very low | 42.5 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -111.6 | 168 | -117.9 | 37.1 | -25.6 | 0 | 0 | 0 | 114.5 | A210 | P208-A210 PolarHBondContact O-N 3.17Š| |||
| 209 | T | 49 | Very low | 42.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -26.8 | 122.7 | 161.7 | -88.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 210 | A | 38.3 | Very low | 42 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -130.3 | 103.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P208 A212 | P208-A210 PolarHBondContact O-N 3.17Å; A210-A212 PolarHBondContact O-N 3.06Å | ||
| 211 | S | 50.2 | Low | 42.3 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -56.4 | 124.3 | 152.2 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 212 | A | 37.1 | Very low | 42.7 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -144.3 | 103.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A210 | A210-A212 PolarHBondContact O-N 3.06Š| ||
| 213 | S | 40.8 | Very low | 42.5 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -43 | 133.7 | 151.7 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | P215 | S213-P215 WeakPolarHBondContact O-CD 3.47Š| ||
| 214 | F | 37.6 | Very low | 43.1 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125 | 171.5 | -67.4 | -83 | 0 | 0 | 0 | 110.3 | ||
| 215 | P | 45.7 | Very low | 43.2 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 128.6 | 160.7 | 8.9 | 11.5 | 0 | 0 | 0 | 109.8 | S213 | S213-P215 WeakPolarHBondContact O-CD 3.47Š|
| 216 | V | 43.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.5 | 166.6 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||
| 217 | H | 40.8 | Very low | 43.4 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -144.7 | 151.8 | 153.2 | -80.6 | -55.6 | 0 | 0 | 0 | 113.1 | ||||
| 218 | P | 49.5 | Very low | 43.4 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -107.1 | 125.9 | -164.7 | 34.9 | -20.3 | 0 | 0 | 0 | 111.5 | ||||
| 219 | Y | 35.7 | Very low | 43.4 | Very low | 233 Ų | 233 | 135.9 Ų | 135.9 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -145 | 123.6 | 160.2 | -84.7 | -73.8 | 0 | 0 | 0 | 112 | ||||
| 220 | S | 40.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -62.2 | 133.1 | 170.1 | -48.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 221 | Y | 38.7 | Very low | 43.9 | Very low | 235 Ų | 235 | 141.9 Ų | 141.9 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -128.8 | 131.2 | 158 | -137.1 | -94 | 0 | 0 | 0 | 109 | ||||
| 222 | Q | 43.1 | Very low | 43.6 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -106.1 | 143.1 | -173.9 | -168.1 | 167.2 | 33.1 | 0 | 0 | 109.3 | ||||
| 223 | S | 36.5 | Very low | 44.2 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 94 | 154.1 | 155.6 | -144.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 224 | P | 53 | Low | 44.2 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -123.8 | 156.8 | -21.1 | 14.3 | 9.5 | 0 | 0 | 0 | 113.3 | ||||
| 225 | G | 41.8 | Very low | 44.2 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 151.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 226 | L | 46.8 | Very low | 44.2 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -122.3 | 145 | 161.6 | -78.2 | 169.1 | 0 | 0 | 0 | 109 | ||||
| 227 | P | 50 | Low | 44.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 138.8 | -163.4 | 31.9 | -34.8 | 0 | 0 | 0 | 114.1 | ||
| 228 | S | 43.4 | Very low | 44.3 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75 | 143.9 | 169.5 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 229 | P | 49.5 | Very low | 44.2 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 145.2 | 171.3 | -10.1 | 26 | 0 | 0 | 0 | 111.9 | ||
| 230 | P | 54.9 | Low | 44.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.8 | -178.5 | 33.1 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 231 | Y | 42.2 | Very low | 44.4 | Very low | 237 Ų | 237 | 139.5 Ų | 139.5 | 93% | 0.929 | 78% | 0.784 | S | S | * | * | trans | -97.8 | 105.3 | 158.4 | -119.1 | -90.3 | 0 | 0 | 0 | 108.7 | ||||
| 232 | G | 43.8 | Very low | 44.3 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 148.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 233 | T | 50.8 | Low | 44.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -66.1 | 149.1 | 169.5 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 234 | M | 41.6 | Very low | 44.8 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -175.6 | 112.8 | 133.7 | -94.6 | -54.4 | 96.4 | 0 | 0 | 111.5 | ||||
| 235 | D | 36.6 | Very low | 44.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | 31 | 126.8 | 128.4 | -151.8 | -118.2 | 0 | 0 | 0 | 120.9 | |||||
| 236 | S | 45.1 | Very low | 45 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -98.5 | 109.8 | 172.2 | -80.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | S | 45.8 | Very low | 44.5 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | trans | -160.6 | 123.3 | 151 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 238 | H | 40.5 | Very low | 43.8 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 173.5 | 111.2 | 124.7 | -85.5 | -59.1 | 0 | 0 | 0 | 110.3 | |||||
| 239 | V | 48.2 | Very low | 43.4 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -78.5 | 136.2 | 163.7 | -142.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 240 | F | 38.9 | Very low | 42.5 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -163.4 | 115.2 | 141.7 | -85.9 | -62.8 | 0 | 0 | 0 | 112.4 | ||||
| 241 | H | 41.6 | Very low | 41.4 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 29.2 | 130.1 | 133.8 | -90.4 | 70.4 | 0 | 0 | 0 | 120.9 | ||||
| 242 | V | 37.1 | Very low | 41.1 | Very low | 143 Ų | 143 | 132 Ų | 132 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | -163.5 | 140.1 | 109.2 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 243 | K | 44 | Very low | 40.8 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | -97.6 | 147.7 | 176.6 | 177.3 | 170.2 | -179.3 | 158.4 | 0 | 111.8 | ||||
| 244 | P | 44.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -136.1 | 171.4 | 143.1 | 20.4 | 2.3 | 0 | 0 | 0 | 115.3 | ||||
| 245 | P | 48.1 | Very low | 40.5 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -94.3 | -178.1 | -156.5 | -0.6 | 23 | 0 | 0 | 0 | 116.3 | ||||
| 246 | P | 52.3 | Low | 40.3 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -93.1 | 168.9 | -163.3 | 37.2 | -32.4 | 0 | 0 | 0 | 114.8 | ||||
| 247 | H | 35.6 | Very low | 39.9 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 92.6 | 106 | 171.5 | -50 | -65.7 | 0 | 0 | 0 | 116.7 | ||||
| 248 | A | 34.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 158.7 | 127.2 | 110.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 249 | Y | 36 | Very low | 39 | Very low | 222 Ų | 222 | 144.5 Ų | 144.5 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 55.2 | 110.8 | 143.4 | -78.4 | -95.8 | 0 | 0 | 0 | 121.2 | ||||
| 250 | S | 31 | Very low | 39 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 58 | 117 | 115.9 | -162.3 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 251 | A | 32 | Very low | 39.1 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 91.2 | 127.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 252 | A | 34.3 | Very low | 38.9 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 84 | 117.4 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 253 | L | 38.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 74.6 | 105.4 | 140.3 | -59.4 | 167.2 | 0 | 0 | 0 | 117.3 | P255 | L253-P255 WeakPolarHBondContact O-CD 3.35Š| ||
| 254 | E | 42.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -30.2 | 131.7 | 145.1 | -91.3 | -91.3 | 159.3 | 0 | 0 | 113.5 | ||||
| 255 | P | 44.2 | Very low | 38.7 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -131.7 | 114.3 | 144 | 25.2 | -4.7 | 0 | 0 | 0 | 111.6 | L253 | L253-P255 WeakPolarHBondContact O-CD 3.35Š| ||
| 256 | F | 31.4 | Very low | 38.2 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | 61 | 106.3 | 112.9 | -143.2 | -97.9 | 0 | 0 | 0 | 117.4 | |||||
| 257 | F | 37 | Very low | 38 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -59.2 | 133 | 158.3 | -114 | -99.7 | 0 | 0 | 0 | 110.8 | ||||
| 258 | E | 34.1 | Very low | 38.8 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -107.7 | 143 | 172.7 | -157.3 | -175.5 | 168.2 | 0 | 0 | 111 | ||||
| 259 | S | 33.5 | Very low | 39.3 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 90.3 | 149.6 | 157.7 | -65.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 260 | P | 47.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -134.1 | 168.5 | -18.5 | 31.9 | -10.4 | 0 | 0 | 0 | 116 | ||||
| 261 | L | 42.8 | Very low | 41.6 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -7.4 | 135.4 | 160.9 | -75 | 157.8 | 0 | 0 | 0 | 120.4 | ||||
| 262 | T | 36.4 | Very low | 42.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | 176.8 | 130.8 | 105.6 | 26.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 263 | D | 35.4 | Very low | 43.8 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 48.1 | 124.2 | 153.1 | -68.4 | -51.9 | 0 | 0 | 0 | 124.7 | ||||
| 264 | C | 40 | Very low | 44.9 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -87 | 139.5 | -175.9 | -51.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 265 | T | 45 | Very low | 45.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 177.3 | 110.8 | 137 | 166.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 266 | S | 38.5 | Very low | 46 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 167.3 | 154.5 | 149.4 | -77.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 267 | P | 47.6 | Very low | 47 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -97.5 | 164.8 | -128.1 | 37.2 | -37.4 | 0 | 0 | 0 | 116.1 | F269 | P267-F269 PolarHBondContact O-N 3.34Š| |||
| 268 | S | 52.1 | Low | 47.8 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -43.4 | 116.5 | 177 | -44.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 269 | F | 45.8 | Very low | 48.6 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -103.1 | 104.6 | 164 | -172.8 | -99.7 | 0 | 0 | 0 | 108.6 | P267 G271 | P267-F269 PolarHBondContact O-N 3.34Å; F269-G271 PolarHBondContact O-N 2.99Å | ||
| 270 | D | 56.9 | Low | 48.9 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 99.1 | 174 | -157 | 25.8 | 0 | 0 | 0 | 107.8 | ||||
| 271 | G | 58.7 | Low | 48.9 | Very low | 35 Ų | 35 | 131.2 Ų | 131.2 | 36% | 0.361 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 145.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F269 L273 | F269-G271 PolarHBondContact O-N 2.99Å; G271-L273 PolarHBondContact O-N 3.18Å; G271-L273 VanDerWaalsContact O-N 3.1Å |
| 272 | P | 53.7 | Low | 48.9 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.2 | -174.4 | 27.2 | -32.5 | 0 | 0 | 0 | 110.4 | S274 | P272-S274 PolarHBondContact O-N 3.02Š|
| 273 | L | 58.3 | Low | 49.1 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.9 | 169.6 | -64.4 | 171.4 | 0 | 0 | 0 | 108.9 | G271 | G271-L273 PolarHBondContact O-N 3.18Å; G271-L273 VanDerWaalsContact O-N 3.1Å |
| 274 | S | 62.1 | Low | 49.3 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 108.9 | P272 | P272-S274 PolarHBondContact O-N 3.02Š|
| 275 | P | 53.5 | Low | 49.4 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143.4 | -179.3 | 27.1 | -32 | 0 | 0 | 0 | 110.4 | L277 | P275-L277 PolarHBondContact O-N 2.74Š|
| 276 | P | 55.4 | Low | 49.1 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.7 | -179.3 | 26.7 | -33.1 | 0 | 0 | 0 | 110.8 | S278 | P276-S278 PolarHBondContact O-N 3.5Å; P276-S278 PolarHBondContact O-OG 3.28Å |
| 277 | L | 52.5 | Low | 48.8 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 105.5 | 171 | -66.3 | 174.7 | 0 | 0 | 0 | 109.1 | P275 I279 | P275-L277 PolarHBondContact O-N 2.74Å; L277-I279 PolarHBondContact O-N 3.04Å | ||
| 278 | S | 53.3 | Low | 48.1 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 102.5 | 176.4 | -18.4 | 0 | 0 | 0 | 0 | 108.5 | P276 N280 | P276-S278 PolarHBondContact O-N 3.5Å; P276-S278 PolarHBondContact O-OG 3.28Å; S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 3.12Å | ||
| 279 | I | 51.8 | Low | 47.3 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 81.7 | 167.5 | -129.6 | 161 | 0 | 0 | 0 | 107.5 | L277 | L277-I279 PolarHBondContact O-N 3.04Š| ||
| 280 | N | 39.3 | Very low | 46.6 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -124 | 102.2 | 164.9 | -100.2 | 23.2 | 0 | 0 | 0 | 107.9 | S278 N282 | S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 3.12Å; N280-N282 PolarHBondContact O-N 2.61Å | ||
| 281 | G | 48.7 | Very low | 45.8 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -65.6 | 117.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 282 | N | 41.3 | Very low | 45 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -127.7 | 66.8 | 171.4 | -128.7 | 53.7 | 0 | 0 | 0 | 108.9 | N280 S284 | N280-N282 PolarHBondContact O-N 2.61Å; N282-S284 PolarHBondContact O-N 3.48Å | ||
| 283 | F | 40.7 | Very low | 44 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 90.1 | 161.3 | -102.1 | -87.7 | 0 | 0 | 0 | 107.7 | F285 | F283-F285 PolarHBondContact O-N 3.31Š| ||
| 284 | S | 39.2 | Very low | 43.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -87 | 101.3 | 166 | -161.9 | 0 | 0 | 0 | 0 | 107.8 | N282 K286 | N282-S284 PolarHBondContact O-N 3.48Å; S284-K286 PolarHBondContact O-N 3.26Å | ||
| 285 | F | 42 | Very low | 41.9 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 110.4 | 164.1 | -107.1 | -95.7 | 0 | 0 | 0 | 107.8 | F283 H287 | F283-F285 PolarHBondContact O-N 3.31Å; F285-H287 PolarHBondContact O-N 3.19Å | ||
| 286 | K | 39.6 | Very low | 41.2 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 106.8 | 161.8 | -74.2 | -141.7 | 170.6 | -172.6 | 0 | 107.9 | S284 E288 | S284-K286 PolarHBondContact O-N 3.26Å; K286-E288 PolarHBondContact O-N 2.92Å | ||
| 287 | H | 32.4 | Very low | 40.1 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 105.1 | 170.1 | -164.4 | -79.1 | 0 | 0 | 0 | 108.3 | F285 | F285-H287 PolarHBondContact O-N 3.19Š| ||
| 288 | E | 32 | Very low | 39.3 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -87.6 | 126.3 | 162.9 | -167.6 | -164.5 | 163.3 | 0 | 0 | 107.7 | K286 S290 | K286-E288 PolarHBondContact O-N 2.92Å; E288-S290 PolarHBondContact O-N 3.02Å | ||
| 289 | P | 36.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 109.3 | 174.1 | 30.6 | -28.7 | 0 | 0 | 0 | 109.4 | A291 | P289-A291 PolarHBondContact O-N 2.85Š| ||
| 290 | S | 30.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -79.5 | 115.1 | 168.2 | -155.1 | 0 | 0 | 0 | 0 | 108.7 | E288 | E288-S290 PolarHBondContact O-N 3.02Š| ||
| 291 | A | 40.7 | Very low | 37.8 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -99.6 | 135.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P289 | P289-A291 PolarHBondContact O-N 2.85Š| ||
| 292 | E | 42.2 | Very low | 37.3 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 74.1 | 93.3 | 157.9 | -60.3 | 172.4 | -173.1 | 0 | 0 | 118.4 | ||||
| 293 | F | 31.5 | Very low | 37.2 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | -166.6 | 101.9 | 115 | -134.5 | -105.6 | 0 | 0 | 0 | 111.1 | K295 | F293-K295 HydrophobicContact CE1-CD 4.09Š| |||
| 294 | E | 39 | Very low | 37.4 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -81.9 | 124.5 | 165.7 | -168 | 178 | -151.6 | 0 | 0 | 108 | ||||
| 295 | K | 37.9 | Very low | 37.2 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | -171.6 | 107.1 | 153.8 | -103.2 | 154.6 | -165.6 | -177.9 | 0 | 111.4 | F293 | F293-K295 HydrophobicContact CE1-CD 4.09Š| ||
| 296 | N | 38.5 | Very low | 37.1 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -53.6 | 136.3 | 166.7 | -64.4 | -1.2 | 0 | 0 | 0 | 111.4 | ||||
| 297 | Y | 33 | Very low | 36.9 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -129.3 | 111 | 155.3 | -82.7 | -79 | 0 | 0 | 0 | 110.3 | ||||
| 298 | A | 35.8 | Very low | 37.1 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -71 | 130.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | T300 | A298-T300 PolarHBondContact O-N 3.19Š| ||
| 299 | F | 32 | Very low | 37.3 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -84.2 | 104.1 | 178.3 | -137.5 | -94.5 | 0 | 0 | 0 | 109.1 | M301 | F299-M301 HydrophobicContact CD1-CG 4.48Å; F299-M301 HydrophobicContact CD1-SD 3.86Å; F299-M301 HydrophobicContact CE1-SD 3.61Å | ||
| 300 | T | 39.6 | Very low | 37.1 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 61% | 0.613 | 80% | 0.797 | S | S | * | * | trans | -106.1 | 126.7 | 165.8 | -68 | 0 | 0 | 0 | 0 | 108 | A298 H302 | A298-T300 PolarHBondContact O-N 3.19Å; T300-H302 WeakPolarHBondContact CG2-NE2 3.48Å | ||
| 301 | M | 39.9 | Very low | 37.2 | Very low | 141 Ų | 141 | 141 Ų | 141 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -85.5 | 119.6 | -178.9 | -65.4 | -73.9 | -84.6 | 0 | 0 | 110.1 | F299 | F299-M301 HydrophobicContact CD1-CG 4.48Å; F299-M301 HydrophobicContact CD1-SD 3.86Å; F299-M301 HydrophobicContact CE1-SD 3.61Å | ||
| 302 | H | 38.7 | Very low | 36.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -121.6 | 118.9 | 169.8 | -72 | -71.1 | 0 | 0 | 0 | 110.1 | T300 | T300-H302 WeakPolarHBondContact CG2-NE2 3.48Š| ||
| 303 | Y | 39.3 | Very low | 36.5 | Very low | 220 Ų | 220 | 141.7 Ų | 141.7 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138.9 | 167.7 | -91.1 | -92.7 | 0 | 0 | 0 | 110.1 | ||
| 304 | P | 46.1 | Very low | 36.9 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 124.7 | 170.3 | 33.4 | -25.7 | 0 | 0 | 0 | 110.9 | ||
| 305 | A | 33.7 | Very low | 36.6 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 139.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 306 | A | 40.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 135 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 307 | T | 34.6 | Very low | 36.5 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -141.6 | 147.8 | 161.8 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | L | 37.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -74.4 | 159 | -171 | -96.8 | 96.8 | 0 | 0 | 0 | 115 | ||||
| 309 | A | 35.1 | Very low | 36.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 90.5 | 137.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 310 | G | 31.5 | Very low | 36.6 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 130.2 | 102 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 311 | A | 33.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -77.2 | 160.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 312 | Q | 35.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 150.4 | 97.9 | 138.2 | -82.4 | 176.7 | 5.4 | 0 | 0 | 110 | ||||
| 313 | S | 33 | Very low | 36.1 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | 73.7 | 104.3 | 91.4 | 73.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 314 | H | 39.8 | Very low | 36.3 | Very low | 203 Ų | 203 | 122.6 Ų | 122.6 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | trans | -156.4 | 123.4 | 138.9 | -83.9 | -68.2 | 0 | 0 | 0 | 108.3 | ||||
| 315 | G | 32.8 | Very low | 35.8 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -93.8 | 155.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 316 | S | 35.4 | Very low | 35.7 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | 176.7 | 107 | 123 | -175.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 317 | I | 39 | Very low | 35.6 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 80% | 0.795 | 83% | 0.825 | S | S | * | * | trans | 32.6 | 110.9 | 133.2 | -17.3 | 171 | 0 | 0 | 0 | 119.6 | ||||
| 318 | F | 36.3 | Very low | 35.9 | Very low | 211 Ų | 211 | 134.3 Ų | 134.3 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | -150.3 | 135.7 | 127.9 | -149.2 | -97.5 | 0 | 0 | 0 | 110.8 | |||||
| 319 | S | 33.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -88.7 | 141.9 | -175 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 320 | G | 32.8 | Very low | 36.4 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -173.1 | 80.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 321 | T | 34.8 | Very low | 37 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -12.9 | 123.1 | 163.7 | 53.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 322 | A | 35.1 | Very low | 37 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | 171.7 | 127.8 | 117.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 323 | A | 38.8 | Very low | 37.6 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -89.1 | -172.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 324 | P | 43.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | -124.8 | 146.4 | -62.2 | 32.9 | -18 | 0 | 0 | 0 | 111.5 | |||||
| 325 | R | 35.3 | Very low | 37.9 | Very low | 253 Ų | 253 | 138.3 Ų | 138.3 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | trans | -81.6 | 115.6 | 160.5 | -79.4 | -176.7 | 179.5 | 158.6 | 0.2 | 107.9 | E327 | R325-E327 PolarHBondContact O-N 3.14Š| ||
| 326 | C | 31.6 | Very low | 38 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 116.3 | 170.7 | -74.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 327 | E | 37.4 | Very low | 38.3 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -84.2 | 136.3 | 153.4 | -74.7 | -130.6 | 145.5 | 0 | 0 | 108.8 | R325 | R325-E327 PolarHBondContact O-N 3.14Š| ||
| 328 | I | 41.9 | Very low | 38.6 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -110.8 | 127.1 | 174 | -60.9 | 178.4 | 0 | 0 | 0 | 108 | ||||
| 329 | P | 35.6 | Very low | 39.1 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 142.6 | 177.6 | -14.1 | 28.5 | 0 | 0 | 0 | 112.4 | D331 | P329-D331 PolarHBondContact O-N 3.46Š| ||
| 330 | I | 47.8 | Very low | 39.9 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 70.9 | -177.6 | -33.2 | 166.1 | 0 | 0 | 0 | 109.4 | ||||
| 331 | D | 43.4 | Very low | 40.5 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -148.4 | 78.8 | 172.9 | -77.2 | -56.4 | 0 | 0 | 0 | 110.6 | P329 | P329-D331 PolarHBondContact O-N 3.46Š| ||
| 332 | N | 32.7 | Very low | 41.1 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -165.8 | 83.8 | 150.7 | -131 | 30.5 | 0 | 0 | 0 | 111.4 | ||||
| 333 | I | 49.5 | Very low | 41.8 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -81.2 | 112.2 | 159.8 | -78.1 | 163.3 | 0 | 0 | 0 | 106.8 | ||||
| 334 | M | 39.6 | Very low | 42.4 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -120.9 | 123.6 | 164.6 | -72.8 | -123.7 | 121.7 | 0 | 0 | 109.1 | ||||
| 335 | S | 37.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -53.3 | 134.4 | -179 | -59.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 336 | F | 35.8 | Very low | 43.8 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | -104.4 | 93 | -178.3 | -150.8 | -96.8 | 0 | 0 | 0 | 109.5 | H339 | F336-H339 AromaticContact CE1-CD2 3.35Å; F336-H339 WeakPolarHBondContact CE1-CD2 3.42Å; F336-H339 AromaticContact CE1-CE1 3.5Å; F336-H339 AromaticContact CE1-CG 3.75Å; F336-H339 AromaticContact CE1-ND1 3.83Å; F336-H339 AromaticContact CE1-NE2 3.19Å; F336-H339 WeakPolarHBondContact CE1-NE2 3.47Å; F336-H339 AromaticContact CZ-CD2 3.84Å; F336-H339 AromaticContact CZ-CE1 3.3Å; F336-H339 WeakPolarHBondContact CZ-CE1 3.4Å; F336-H339 AromaticContact CZ-NE2 3.13Å; F336-H339 WeakPolarHBondContact CZ-NE2 3.46Å | ||
| 337 | D | 42.3 | Very low | 44.6 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | trans | -140.6 | 87.6 | 164.3 | -169.2 | 20.6 | 0 | 0 | 0 | 109.6 | ||||
| 338 | S | 45.5 | Very low | 45.3 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -172.9 | 74.2 | 159.5 | -157.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 339 | H | 45.4 | Very low | 45.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 56% | 0.56 | 68% | 0.675 | S | S | * | * | trans | -125.7 | 2 | 179.3 | -93.4 | 17.8 | 0 | 0 | 0 | 116 | F336 H341 | F336-H339 AromaticContact CE1-CD2 3.35Å; F336-H339 WeakPolarHBondContact CE1-CD2 3.42Å; F336-H339 AromaticContact CE1-CE1 3.5Å; F336-H339 AromaticContact CE1-CG 3.75Å; F336-H339 AromaticContact CE1-ND1 3.83Å; F336-H339 AromaticContact CE1-NE2 3.19Å; F336-H339 WeakPolarHBondContact CE1-NE2 3.47Å; F336-H339 AromaticContact CZ-CD2 3.84Å; F336-H339 AromaticContact CZ-CE1 3.3Å; F336-H339 WeakPolarHBondContact CZ-CE1 3.4Å; F336-H339 AromaticContact CZ-NE2 3.13Å; F336-H339 WeakPolarHBondContact CZ-NE2 3.46Å; H339-H341 PolarHBondContact O-N 3.21Å | ||
| 340 | S | 50.5 | Low | 46.4 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.4 | -23.8 | -178.6 | -176.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 341 | H | 45.8 | Very low | 46.4 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90.7 | -22.1 | -171.3 | -134.3 | -69.7 | 0 | 0 | 0 | 114.1 | H339 | H339-H341 PolarHBondContact O-N 3.21Å |
| 342 | H | 47 | Very low | 46.8 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.3 | -36 | -178.3 | -167.7 | 58.8 | 0 | 0 | 0 | 112.5 | R344 V345 M346 | H342-R344 PolarHBondContact O-N 2.84Å; H342-V345 PolarHBondContact O-N 3.24Å; H342-M346 WeakPolarHBondContact CE1-CE 3.37Å; H342-M346 PolarHBondContact O-N 3.26Å |
| 343 | E | 49.4 | Very low | 47.8 | Very low | 146 Ų | 146 | 119.7 Ų | 119.7 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.2 | -43.2 | 177.2 | -86.6 | -142.7 | 129.9 | 0 | 0 | 112.5 | V345 M346 S347 | E343-V345 PolarHBondContact O-N 3.13Å; E343-M346 PolarHBondContact O-N 3Å; E343-M346 VanDerWaalsContact O-N 3.12Å; E343-S347 PolarHBondContact O-N 3.1Å; E343-S347 PolarHBondContact O-OG 3.31Å |
| 344 | R | 53.5 | Low | 48 | Very low | 166 Ų | 166 | 119.4 Ų | 119.4 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.9 | -32.9 | -177.1 | -111.1 | -176.8 | -71.8 | -159.5 | -2.9 | 113.6 | H342 A348 | H342-R344 PolarHBondContact O-N 2.84Å; R344-A348 PolarHBondContact O-N 3.17Å |
| 345 | V | 54 | Low | 48.5 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.6 | -37.8 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | H342 E343 A348 Q349 | H342-V345 PolarHBondContact O-N 3.24Å; E343-V345 PolarHBondContact O-N 3.13Å; V345-A348 PolarHBondContact O-N 3.18Å; V345-Q349 PolarHBondContact O-N 3.31Å |
| 346 | M | 53.4 | Low | 48.6 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 41% | 0.409 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.7 | -37.2 | 178.4 | -66.5 | -64 | 166 | 0 | 0 | 112.3 | H342 E343 A348 Q349 L350 | H342-M346 WeakPolarHBondContact CE1-CE 3.37Å; H342-M346 PolarHBondContact O-N 3.26Å; E343-M346 PolarHBondContact O-N 3Å; E343-M346 VanDerWaalsContact O-N 3.12Å; M346-A348 VanDerWaalsContact C-N 3.34Å; M346-A348 PolarHBondContact O-N 3.38Å; M346-Q349 PolarHBondContact O-N 3.44Å; M346-L350 PolarHBondContact O-N 3.2Å; M346-L350 VanDerWaalsContact O-N 3.16Å |
| 347 | S | 49.3 | Very low | 49.2 | Very low | 61 Ų | 61 | 123.2 Ų | 123.2 | 43% | 0.427 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.5 | -37.8 | 175.3 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | E343 N351 | E343-S347 PolarHBondContact O-N 3.1Å; E343-S347 PolarHBondContact O-OG 3.31Å; S347-N351 PolarHBondContact O-N 3.19Å |
| 348 | A | 51.7 | Low | 49.6 | Very low | 62 Ų | 62 | 121.2 Ų | 121.2 | 51% | 0.512 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.6 | -36.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R344 V345 M346 A352 | R344-A348 PolarHBondContact O-N 3.17Å; V345-A348 PolarHBondContact O-N 3.18Å; M346-A348 VanDerWaalsContact C-N 3.34Å; M346-A348 PolarHBondContact O-N 3.38Å; A348-A352 PolarHBondContact O-N 3.27Å |
| 349 | Q | 50.2 | Low | 49.8 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.3 | -31.1 | 179.7 | -164.4 | 170.5 | 13 | 0 | 0 | 112.8 | V345 M346 | V345-Q349 PolarHBondContact O-N 3.31Å; M346-Q349 PolarHBondContact O-N 3.44Å |
| 350 | L | 50.7 | Low | 50.1 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.4 | -31.8 | 175.2 | -74.2 | 170.3 | 0 | 0 | 0 | 113 | M346 F354 | M346-L350 PolarHBondContact O-N 3.2Å; M346-L350 VanDerWaalsContact O-N 3.16Å; L350-F354 WeakPolarHBondContact O-CD2 3.36Å |
| 351 | N | 46.7 | Very low | 50 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.3 | -26 | 177.4 | -78.5 | -18.9 | 0 | 0 | 0 | 113.5 | S347 I353 F354 | S347-N351 PolarHBondContact O-N 3.19Å; N351-I353 PolarHBondContact O-N 3.37Å; N351-F354 PolarHBondContact O-N 3.09Å |
| 352 | A | 52.9 | Low | 50.3 | Low | 71 Ų | 71 | 122.8 Ų | 122.8 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -14.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A348 | A348-A352 PolarHBondContact O-N 3.27Š|
| 353 | I | 52.7 | Low | 50.6 | Low | 126 Ų | 126 | 122.6 Ų | 122.6 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -17.6 | -179.4 | -59.8 | 171.2 | 0 | 0 | 0 | 111.6 | N351 | N351-I353 PolarHBondContact O-N 3.37Š|
| 354 | F | 54.3 | Low | 50.7 | Low | 163 Ų | 163 | 120.8 Ų | 120.8 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -105.1 | -0.9 | -174 | -69.2 | -79.6 | 0 | 0 | 0 | 114.5 | L350 N351 | L350-F354 WeakPolarHBondContact O-CD2 3.36Å; N351-F354 PolarHBondContact O-N 3.09Å |
| 355 | H | 48.8 | Very low | 50.4 | Low | 169 Ų | 169 | 117.1 Ų | 117.1 | 78% | 0.782 | 64% | 0.635 | S | S | * | * | trans | -140.6 | 76.3 | 177.6 | -74.5 | -67.3 | 0 | 0 | 0 | 110.8 | ||||
| 356 | D | 40.3 | Very low | 50.1 | Low | 232 Ų | 232 | 120 Ų | 120 | 100% | 1.241 | 65% | 0.646 | S | S | * | * | trans | -144.5 | 0 | 146.5 | -148 | -57.8 | 0 | 0 | 0 | 108.5 |
Retrieved 356 of 356 residues in 44.3 ms
(Link to these results)