| 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 | 36.2 | Very low | 43.5 | Very low | 230 Ų | 230 | 160.9 Ų | 160.9 | 100% | 1.133 | 83% | 0.83 | S | S | * | * | 0 | 139.9 | 0 | -63.5 | 162.8 | 66.7 | 0 | 0 | 107.5 | |||||
| 2 | M | 39.5 | Very low | 43.2 | Very low | 181 Ų | 181 | 154 Ų | 154 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | cis | -149.4 | 161.5 | -17.4 | -102.9 | -179.9 | 170.4 | 0 | 0 | 106.8 | ||||
| 3 | S | 54.7 | Low | 42.7 | Very low | 115 Ų | 115 | 154 Ų | 154 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -100.9 | -169.2 | -173.3 | -165.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | M | 50.6 | Low | 42.2 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | 98.3 | 119.4 | 167.9 | -51 | -148.9 | -63.6 | 0 | 0 | 115.2 | ||||
| 5 | N | 46 | Very low | 43.2 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | 91.4 | 113.3 | 44.2 | 176.2 | 36.2 | 0 | 0 | 0 | 113.4 | ||||
| 6 | S | 42.4 | Very low | 42.6 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -169.4 | 124.4 | 149.6 | 55.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 7 | K | 41.7 | Very low | 42.1 | Very low | 193 Ų | 193 | 148.4 Ų | 148.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 73 | 117.6 | 132.1 | -66.9 | 178.7 | 176.4 | 179 | 0 | 123.8 | ||||
| 8 | Q | 41.7 | Very low | 42.4 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 58.1 | 137.7 | 133.5 | -71.2 | -162.3 | -6.1 | 0 | 0 | 123.5 | ||||
| 9 | P | 51.3 | Low | 42.2 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -97.9 | 158.2 | 157.6 | 38 | -30.8 | 0 | 0 | 0 | 113 | ||||
| 10 | H | 37.4 | Very low | 41.9 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -136.9 | 129 | -176.1 | -158.7 | -104.7 | 0 | 0 | 0 | 110.8 | ||||
| 11 | F | 37.4 | Very low | 41.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 70 | 118.7 | 150.5 | -85.9 | -124.4 | 0 | 0 | 0 | 123.1 | ||||
| 12 | A | 40.1 | Very low | 41.5 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | 91 | 117.9 | 110.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 13 | M | 35.8 | Very low | 41.2 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 91.7 | 120.9 | 126.6 | -68.6 | -72.2 | -77.7 | 0 | 0 | 124.3 | |||||
| 14 | H | 36.2 | Very low | 40.4 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 67.7 | 167.1 | 143.6 | -94.4 | -133.3 | 0 | 0 | 0 | 120 | ||||
| 15 | P | 56.3 | Low | 39.7 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -138.3 | -169.5 | -28.3 | 37.7 | -19.2 | 0 | 0 | 0 | 115.1 | ||||
| 16 | S | 33.7 | Very low | 39.5 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 71 | 149.8 | 152.4 | 62.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 17 | L | 35.4 | Very low | 39.7 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | cis | -153.1 | -148.4 | -2.6 | -107.7 | 162.2 | 0 | 0 | 0 | 108 | ||||
| 18 | P | 46.3 | Very low | 39.5 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | -122.8 | 155.4 | -98.8 | 35.4 | -15.7 | 0 | 0 | 0 | 118.6 | |||||
| 19 | E | 38.7 | Very low | 39.4 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | trans | 21.9 | 123.4 | 137 | -162.8 | -171.9 | 149.9 | 0 | 0 | 121.4 | K21 | E19-K21 HydrophobicContact CG-CG 4.31Å; E19-K21 WeakPolarHBondContact OE1-CE 3.38Å; E19-K21 WeakPolarHBondContact OE1-CG 3.39Å; E19-K21 IonicContact OE1-NZ 3.95Å | ||
| 20 | H | 36 | Very low | 38.7 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -126.9 | 138.1 | 146.9 | -89.1 | 7.5 | 0 | 0 | 0 | 111.2 | ||||
| 21 | K | 39 | Very low | 38.8 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | trans | -93.8 | 144.2 | -164.5 | -60.6 | 166 | 179.7 | 174.3 | 0 | 111.8 | E19 | E19-K21 HydrophobicContact CG-CG 4.31Å; E19-K21 WeakPolarHBondContact OE1-CE 3.38Å; E19-K21 WeakPolarHBondContact OE1-CG 3.39Å; E19-K21 IonicContact OE1-NZ 3.95Å | ||
| 22 | Y | 31.1 | Very low | 39.1 | Very low | 241 Ų | 241 | 137.7 Ų | 137.7 | 95% | 0.945 | 76% | 0.756 | S | S | * | * | -156 | 152.3 | 129 | -93.5 | -66.6 | 0 | 0 | 0 | 109.8 | |||||
| 23 | T | 32.6 | Very low | 39.2 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -117.4 | 150.2 | -160 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 24 | T | 38.5 | Very low | 39.6 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 71.7 | 94 | 150.7 | -48.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 25 | L | 35.7 | Very low | 39.6 | Very low | 181 Ų | 181 | 144 Ų | 144 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | -142.6 | 104 | 116.9 | -80 | -171.9 | 0 | 0 | 0 | 108.7 | |||||
| 26 | H | 42.7 | Very low | 38.5 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -127.5 | 144.1 | 172.3 | -168 | 68.6 | 0 | 0 | 0 | 109.7 | ||||
| 27 | S | 45.6 | Very low | 38.5 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 115.5 | 70.2 | 173.7 | -159.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 28 | S | 37.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -161.4 | 14.7 | 154.7 | -129 | 0 | 0 | 0 | 0 | 117.2 | ||
| 29 | S | 39.3 | Very low | 37.7 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -130.2 | -0.2 | -177.6 | -66 | 0 | 0 | 0 | 0 | 116.8 | ||
| 30 | E | 38.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 64% | 0.64 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -109.4 | -2 | 175.1 | -115.6 | -167.9 | 126.8 | 0 | 0 | 115.2 | ||
| 31 | A | 38 | Very low | 37.9 | Very low | 86 Ų | 86 | 147.8 Ų | 147.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -76.5 | -19.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R33 | A31-R33 VanDerWaalsContact C-N 3.35Å; A31-R33 PolarHBondContact O-N 3.33Å |
| 32 | I | 43.3 | Very low | 37.6 | Very low | 159 Ų | 159 | 147 Ų | 147 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -84.3 | -5.9 | -171.1 | -57.2 | 179 | 0 | 0 | 0 | 112.8 | ||
| 33 | R | 42.8 | Very low | 37.9 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -95.1 | 1.5 | -177 | -58.1 | -165.1 | -150.9 | -131.9 | 6.9 | 116.2 | A31 | A31-R33 VanDerWaalsContact C-N 3.35Å; A31-R33 PolarHBondContact O-N 3.33Å |
| 34 | R | 43.5 | Very low | 37.9 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -140.3 | 14 | -167.7 | -85.2 | -162.3 | 176.2 | 98.4 | -0 | 119.4 | ||
| 35 | A | 36.9 | Very low | 37.9 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -133.8 | 82.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 36 | C | 33.9 | Very low | 38.7 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 86% | 0.858 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -167.8 | 70.8 | 142.4 | -105.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 37 | L | 33.8 | Very low | 38.6 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | 48.4 | 153.8 | 146.4 | -60.7 | 173 | 0 | 0 | 0 | 122.7 | ||||
| 38 | Q | 31.7 | Very low | 38.4 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -92.1 | 153.7 | -166.2 | -71.1 | 156.1 | -81 | 0 | 0 | 115.4 | ||||
| 39 | A | 33.6 | Very low | 38.5 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 150.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 40 | P | 32.9 | Very low | 38.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -103.7 | 152.3 | 19.7 | 38.3 | -33.3 | 0 | 0 | 0 | 116.8 | L42 | P40-L42 PolarHBondContact O-N 2.92Š| ||
| 41 | Q | 45.5 | Very low | 39.1 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -69.4 | 110.4 | 163 | -72.3 | -82.9 | 31.1 | 0 | 0 | 109.7 | ||||
| 42 | L | 32.9 | Very low | 39.3 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | trans | -135.7 | 108.4 | 165.1 | -78.8 | 180 | 0 | 0 | 0 | 112.4 | P40 | P40-L42 PolarHBondContact O-N 2.92Š| ||
| 43 | Q | 35.8 | Very low | 39.4 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | 57.5 | 114.6 | 145.7 | -70.2 | 170.4 | -73.6 | 0 | 0 | 120.8 | ||||
| 44 | S | 33.1 | Very low | 39.8 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | trans | 77 | 95.1 | 136.3 | 66.1 | 0 | 0 | 0 | 0 | 119.1 | I46 | S44-I46 VanDerWaalsContact C-N 3.27Å; S44-I46 PolarHBondContact O-N 3.39Å | ||
| 45 | N | 39.5 | Very low | 40.2 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | trans | -67.7 | 82.1 | 154.2 | -72.1 | -8.5 | 0 | 0 | 0 | 110 | ||||
| 46 | I | 51.5 | Low | 40.9 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 44% | 0.441 | 67% | 0.671 | S | S | . | * | trans | -80.3 | -25.4 | 178.8 | -57.9 | -177.9 | 0 | 0 | 0 | 112 | S44 L202 | S44-I46 VanDerWaalsContact C-N 3.27Å; S44-I46 PolarHBondContact O-N 3.39Å; I46-L202 HydrophobicContact CD1-CD2 4.32Å | ||
| 47 | F | 40.3 | Very low | 41.6 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 73% | 0.732 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -99.6 | 2.8 | -168 | -66.4 | -77.4 | 0 | 0 | 0 | 115.9 | S49 L50 | F47-S49 PolarHBondContact O-N 3.39Å; F47-L50 PolarHBondContact O-N 3.19Å |
| 48 | A | 42.2 | Very low | 42.4 | Very low | 96 Ų | 96 | 115 Ų | 115 | 79% | 0.793 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -9.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 49 | S | 38.9 | Very low | 43.3 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 9.1 | 179.9 | 67 | 0 | 0 | 0 | 0 | 114.4 | F47 D51 | F47-S49 PolarHBondContact O-N 3.39Å; S49-D51 PolarHBondContact O-N 3.49Å |
| 50 | L | 42.6 | Very low | 44.3 | Very low | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -81.8 | 53.9 | 171.9 | -148.2 | 85.1 | 0 | 0 | 0 | 111.2 | F47 L54 | F47-L50 PolarHBondContact O-N 3.19Å; L50-L54 HydrophobicContact CD2-CD2 4.04Å; L50-L54 HydrophobicContact CG-CD2 4.34Å |
| 51 | D | 47.9 | Very low | 45.3 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | trans | 18 | 124.1 | 167 | -145.5 | -57.6 | 0 | 0 | 0 | 119.2 | S49 T53 L54 | S49-D51 PolarHBondContact O-N 3.49Å; D51-T53 PolarHBondContact O-N 3.08Å; D51-T53 WeakPolarHBondContact OD1-CB 3.27Å; D51-T53 PolarHBondContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 3.45Å; D51-L54 PolarHBondContact O-N 3Å | ||
| 52 | E | 43 | Very low | 45.7 | Very low | 174 Ų | 174 | 102.8 Ų | 102.8 | 81% | 0.813 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -42.9 | -32.6 | 166.4 | -89.9 | 176.6 | 112.3 | 0 | 0 | 112.9 | L54 L55 A56 | E52-L54 PolarHBondContact O-N 2.97Å; E52-L55 PolarHBondContact O-N 2.89Å; E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 3.25Å |
| 53 | T | 45.5 | Very low | 46.4 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -34.3 | 179.2 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | D51 R57 | D51-T53 PolarHBondContact O-N 3.08Å; D51-T53 WeakPolarHBondContact OD1-CB 3.27Å; D51-T53 PolarHBondContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 3.45Å; T53-R57 WeakPolarHBondContact O-CG 3.4Å; T53-R57 PolarHBondContact O-N 3.05Å |
| 54 | L | 50.3 | Low | 47.2 | Very low | 61 Ų | 61 | 95.1 Ų | 95.1 | 32% | 0.319 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74 | -41.2 | 178.1 | -163.1 | 80 | 0 | 0 | 0 | 110.5 | L50 D51 E52 R57 A58 A271 | L50-L54 HydrophobicContact CD2-CD2 4.04Å; L50-L54 HydrophobicContact CG-CD2 4.34Å; D51-L54 PolarHBondContact O-N 3Å; E52-L54 PolarHBondContact O-N 2.97Å; L54-R57 PolarHBondContact O-N 3.06Å; L54-A58 PolarHBondContact O-N 3.28Å; L54-A271 HydrophobicContact CD1-CB 4.33Å |
| 55 | L | 53.3 | Low | 47.6 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 40% | 0.398 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.9 | 176.1 | 50.9 | 0 | 0 | 0 | 111.6 | E52 R57 A58 E59 G247 | E52-L55 PolarHBondContact O-N 2.89Å; L55-R57 PolarHBondContact O-N 3.37Å; L55-A58 WeakPolarHBondContact O-CB 3.43Å; L55-A58 PolarHBondContact O-N 3.33Å; L55-A58 VanDerWaalsContact O-N 3.08Å; L55-E59 PolarHBondContact O-N 3.26Å; L55-G247 WeakPolarHBondContact CD1-O 3.41Å |
| 56 | A | 49.8 | Very low | 48 | Very low | 54 Ų | 54 | 91.7 Ų | 91.7 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E52 A60 | E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 3.25Å; A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.34Å |
| 57 | R | 49.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 90.4 Ų | 90.4 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.5 | -37.4 | 174.1 | -78.7 | 176.4 | 173.8 | 163.2 | 1.7 | 112.9 | T53 L54 L55 A60 L61 | T53-R57 WeakPolarHBondContact O-CG 3.4Å; T53-R57 PolarHBondContact O-N 3.05Å; L54-R57 PolarHBondContact O-N 3.06Å; L55-R57 PolarHBondContact O-N 3.37Å; R57-A60 PolarHBondContact O-N 3.01Å; R57-L61 WeakPolarHBondContact O-CG 3.31Å; R57-L61 PolarHBondContact O-N 3Å; R57-L61 VanDerWaalsContact O-N 3.13Å |
| 58 | A | 50.3 | Low | 47.9 | Very low | 42 Ų | 42 | 87.9 Ų | 87.9 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L54 L55 L61 A62 | L54-A58 PolarHBondContact O-N 3.28Å; L55-A58 WeakPolarHBondContact O-CB 3.43Å; L55-A58 PolarHBondContact O-N 3.33Å; L55-A58 VanDerWaalsContact O-N 3.08Å; A58-L61 PolarHBondContact O-N 3.27Å; A58-A62 PolarHBondContact O-N 3.49Å; A58-A62 VanDerWaalsContact O-N 3.17Å |
| 59 | E | 50.3 | Low | 47.8 | Very low | 138 Ų | 138 | 88.2 Ų | 88.2 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 173.9 | -173.2 | 178.5 | -176 | 0 | 0 | 111.8 | L55 L61 A62 A63 | L55-E59 PolarHBondContact O-N 3.26Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.86Å; E59-A62 PolarHBondContact O-N 3.39Å; E59-A62 VanDerWaalsContact O-N 3.11Å; E59-A63 WeakPolarHBondContact O-CB 3.26Å; E59-A63 PolarHBondContact O-N 3.26Å |
| 60 | A | 54.7 | Low | 47.9 | Very low | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 R57 A63 V64 | A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.34Å; R57-A60 PolarHBondContact O-N 3.01Å; A60-A63 PolarHBondContact O-N 2.95Å; A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.44Å; A60-V64 PolarHBondContact O-N 3.43Å |
| 61 | L | 54.2 | Low | 47.8 | Very low | 84 Ų | 84 | 89.4 Ų | 89.4 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 175.9 | -70.9 | 170.5 | 0 | 0 | 0 | 112.5 | R57 A58 E59 D65 | R57-L61 WeakPolarHBondContact O-CG 3.31Å; R57-L61 PolarHBondContact O-N 3Å; R57-L61 VanDerWaalsContact O-N 3.13Å; A58-L61 PolarHBondContact O-N 3.27Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.86Å; L61-D65 PolarHBondContact O-N 3.16Å |
| 62 | A | 54.8 | Low | 47.3 | Very low | 47 Ų | 47 | 94.3 Ų | 94.3 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A58 E59 V64 D65 I66 | A58-A62 PolarHBondContact O-N 3.49Å; A58-A62 VanDerWaalsContact O-N 3.17Å; E59-A62 PolarHBondContact O-N 3.39Å; E59-A62 VanDerWaalsContact O-N 3.11Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 2.98Å; A62-D65 PolarHBondContact O-N 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.3Å; A62-I66 PolarHBondContact O-N 3.42Å; A62-I66 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 47.2 | Very low | 46.8 | Very low | 50 Ų | 50 | 92.7 Ų | 92.7 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E59 A60 I66 A67 | E59-A63 WeakPolarHBondContact O-CB 3.26Å; E59-A63 PolarHBondContact O-N 3.26Å; A60-A63 PolarHBondContact O-N 2.95Å; A63-I66 PolarHBondContact O-N 2.88Å; A63-A67 WeakPolarHBondContact O-CB 3.07Å; A63-A67 PolarHBondContact O-N 3.25Å |
| 64 | V | 51.9 | Low | 46.6 | Very low | 91 Ų | 91 | 97.9 Ų | 97.9 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.8 | -38 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | A60 A62 I66 A67 V68 | A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.44Å; A60-V64 PolarHBondContact O-N 3.43Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 2.98Å; V64-I66 VanDerWaalsContact C-N 3.3Å; V64-I66 PolarHBondContact O-N 2.81Å; V64-A67 PolarHBondContact O-N 3.08Å; V64-V68 WeakPolarHBondContact O-CB 3.45Å; V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.43Å; V64-V68 PolarHBondContact O-N 3.13Å |
| 65 | D | 41.6 | Very low | 46.6 | Very low | 64 Ų | 64 | 100.1 Ų | 100.1 | 34% | 0.342 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -33.3 | 175.4 | -138.3 | 25.7 | 0 | 0 | 0 | 110.9 | L61 A62 S69 S252 | L61-D65 PolarHBondContact O-N 3.16Å; A62-D65 PolarHBondContact O-N 3.23Å; D65-S69 PolarHBondContact O-OG 2.93Å; D65-S69 VanDerWaalsContact O-OG 3.13Å; D65-S252 PolarHBondContact OD2-OG 3.09Å; D65-S252 VanDerWaalsContact OD2-OG 3.11Å |
| 66 | I | 48.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 106.5 Ų | 106.5 | 55% | 0.554 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -46.3 | 173 | -64.7 | 166.3 | 0 | 0 | 0 | 111.6 | A62 A63 V64 V68 S69 | A62-I66 WeakPolarHBondContact O-CG1 3.3Å; A62-I66 PolarHBondContact O-N 3.42Å; A62-I66 VanDerWaalsContact O-N 3.14Å; A63-I66 PolarHBondContact O-N 2.88Å; V64-I66 VanDerWaalsContact C-N 3.3Å; V64-I66 PolarHBondContact O-N 2.81Å; I66-V68 PolarHBondContact O-N 3.06Å; I66-S69 WeakPolarHBondContact O-CA 3.48Å; I66-S69 VanDerWaalsContact O-CB 3.24Å; I66-S69 WeakPolarHBondContact O-CB 3.24Å; I66-S69 PolarHBondContact O-N 3.06Å |
| 67 | A | 43.7 | Very low | 45 | Very low | 58 Ų | 58 | 111.5 Ų | 111.5 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.3 | -36.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A63 V64 S69 Q70 G71 | A63-A67 WeakPolarHBondContact O-CB 3.07Å; A63-A67 PolarHBondContact O-N 3.25Å; V64-A67 PolarHBondContact O-N 3.08Å; A67-S69 PolarHBondContact O-N 3.36Å; A67-S69 VanDerWaalsContact O-N 3.16Å; A67-Q70 PolarHBondContact O-N 3.24Å; A67-G71 PolarHBondContact O-N 2.89Å |
| 68 | V | 45.4 | Very low | 44.6 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -22.5 | 171.6 | 166.9 | 0 | 0 | 0 | 0 | 112 | V64 I66 | V64-V68 WeakPolarHBondContact O-CB 3.45Å; V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.43Å; V64-V68 PolarHBondContact O-N 3.13Å; I66-V68 PolarHBondContact O-N 3.06Å |
| 69 | S | 40.9 | Very low | 43.7 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -12.2 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 114.2 | D65 I66 A67 | D65-S69 PolarHBondContact O-OG 2.93Å; D65-S69 VanDerWaalsContact O-OG 3.13Å; I66-S69 WeakPolarHBondContact O-CA 3.48Å; I66-S69 VanDerWaalsContact O-CB 3.24Å; I66-S69 WeakPolarHBondContact O-CB 3.24Å; I66-S69 PolarHBondContact O-N 3.06Å; A67-S69 PolarHBondContact O-N 3.36Å; A67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | Q | 39.5 | Very low | 43.1 | Very low | 164 Ų | 164 | 111 Ų | 111 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -18.8 | -179.1 | -66.8 | -169.4 | -8.9 | 0 | 0 | 114.8 | A67 K72 | A67-Q70 PolarHBondContact O-N 3.24Å; Q70-K72 PolarHBondContact O-N 3.22Å |
| 71 | G | 42 | Very low | 42 | Very low | 64 Ų | 64 | 114.5 Ų | 114.5 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | trans | -77.6 | 71.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A67 | A67-G71 PolarHBondContact O-N 2.89Š| ||
| 72 | K | 37.2 | Very low | 40.9 | Very low | 198 Ų | 198 | 119.8 Ų | 119.8 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -159.3 | 62.6 | 163.3 | -128.5 | 156.8 | -165.8 | 146 | 0 | 118.9 | Q70 | Q70-K72 PolarHBondContact O-N 3.22Š| ||
| 73 | T | 32.2 | Very low | 39.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -132.3 | 138.2 | 146.5 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 74 | H | 40.5 | Very low | 39.3 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -119.7 | 162.7 | 178.7 | -98 | -50.1 | 0 | 0 | 0 | 109.7 | ||||
| 75 | P | 50.7 | Low | 38.7 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -93 | 155.9 | -147.6 | 36 | -37.3 | 0 | 0 | 0 | 114.1 | ||||
| 76 | F | 30.4 | Very low | 38.2 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -137.4 | 123.4 | 157 | -100.5 | -88.1 | 0 | 0 | 0 | 110.1 | ||||
| 77 | K | 40 | Very low | 37.4 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -84.5 | 156.3 | 149.7 | -77.9 | -170.2 | 161 | -153.6 | 0 | 107.8 | D79 | K77-D79 IonicContact NZ-OD2 2.81Å; K77-D79 PolarHBondContact NZ-OD2 3.04Å | ||
| 78 | P | 40.7 | Very low | 37 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | -128.7 | 166.7 | 99.1 | 35.9 | -28.7 | 0 | 0 | 0 | 113 | |||||
| 79 | D | 31.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | -107.8 | 159.2 | -170 | -131.3 | -59.5 | 0 | 0 | 0 | 112.4 | K77 | K77-D79 IonicContact NZ-OD2 2.81Å; K77-D79 PolarHBondContact NZ-OD2 3.04Å | ||
| 80 | A | 36.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 47.2 | 127.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 81 | T | 32.5 | Very low | 36.1 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 176.6 | 101.6 | 109.7 | -73.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 82 | Y | 30.9 | Very low | 35.8 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 57.1 | 138.7 | 138 | -77.7 | -86.9 | 0 | 0 | 0 | 125.9 | ||||
| 83 | H | 32.3 | Very low | 35.6 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 92.6 | 114.9 | 143.4 | -70.3 | -49.9 | 0 | 0 | 0 | 123.5 | ||||
| 84 | T | 35.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 83.3 | 117.6 | 128.2 | -63.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 85 | M | 39.4 | Very low | 35.6 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -82.2 | 137.2 | 154.8 | -64.2 | -160.6 | -107.2 | 0 | 0 | 110.4 | ||||
| 86 | N | 31 | Very low | 34.9 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -159.8 | 162.3 | 132.5 | -137.9 | -7.3 | 0 | 0 | 0 | 113.8 | ||||
| 87 | S | 31.9 | Very low | 35.8 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 155.9 | 175.5 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 88 | V | 36.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 130 Ų | 130 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | -167.3 | 164.3 | 70.8 | -81.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 89 | P | 48.2 | Very low | 35 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 158.5 | -176.1 | 38 | -34.9 | 0 | 0 | 0 | 114.6 | ||||
| 90 | C | 29.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 129 Ų | 129 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | trans | -134.3 | 133.9 | 168.6 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 91 | S | 29.2 | Very low | 35 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -101.3 | 159.5 | -169.6 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | S | 35.5 | Very low | 35 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 118.5 | 131.5 | 130.4 | -60.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 93 | N | 33.4 | Very low | 35.1 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 66.8 | 151.1 | 151.5 | -69.1 | 11.6 | 0 | 0 | 0 | 117.5 | ||||
| 94 | T | 34.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -173.2 | 141.7 | -3.2 | -100 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 95 | T | 37.9 | Very low | 35.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -155.7 | 174.2 | 0.8 | 18.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 96 | V | 35.2 | Very low | 34.9 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -60.4 | 177.9 | 161.3 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 97 | P | 49.4 | Very low | 35.1 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | -148.9 | 175.6 | 17.6 | 44.5 | -24.1 | 0 | 0 | 0 | 120.8 | ||||
| 98 | L | 33.2 | Very low | 35.3 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | 60.2 | 153.3 | 143.3 | -97.5 | 44.4 | 0 | 0 | 0 | 121.6 | ||||
| 99 | A | 31 | Very low | 35.1 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 57% | 0.57 | 73% | 0.734 | S | S | * | * | cis | -177 | 175.8 | -39.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | H | 34.8 | Very low | 34.8 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 84.1 | 125.4 | 157.1 | -71.1 | 78.1 | 0 | 0 | 0 | 122.3 | ||||
| 101 | H | 33.4 | Very low | 35.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | trans | 86.7 | 102.1 | 132.8 | -84.9 | 36.3 | 0 | 0 | 0 | 123.8 | ||||
| 102 | H | 32.9 | Very low | 36 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | 38.2 | 125.7 | 109.4 | -116.1 | 68.3 | 0 | 0 | 0 | 122.9 | |||||
| 103 | H | 33.3 | Very low | 35.8 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | trans | 85.5 | 121.2 | 136.6 | -113.6 | 75.7 | 0 | 0 | 0 | 123.9 | ||||
| 104 | H | 33.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | trans | 76.1 | 118.6 | 137.9 | -106 | 55.7 | 0 | 0 | 0 | 125.4 | ||||
| 105 | H | 34 | Very low | 37.3 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.676 | 73% | 0.729 | S | S | * | * | 80.2 | 127.2 | 128.1 | -122.1 | 58.8 | 0 | 0 | 0 | 124.9 | |||||
| 106 | H | 34.7 | Very low | 38.2 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | 92.8 | 130.1 | 139.1 | -114.4 | 57.3 | 0 | 0 | 0 | 124.7 | ||||
| 107 | H | 35.1 | Very low | 38.5 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | 56.6 | 138 | 153.6 | -94.3 | -50.7 | 0 | 0 | 0 | 127.2 | ||||
| 108 | H | 35.8 | Very low | 38.2 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | 25 | 136.6 | 150.8 | -70.7 | -49 | 0 | 0 | 0 | 121.7 | ||||
| 109 | H | 33.4 | Very low | 38.6 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | -169.4 | 170.1 | 70.8 | -127.7 | -81.6 | 0 | 0 | 0 | 115.3 | |||||
| 110 | H | 41.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -84.3 | 161.3 | 171.7 | -136.2 | -95.5 | 0 | 0 | 0 | 112.7 | N112 | H110-N112 PolarHBondContact ND1-N 2.81Š| ||
| 111 | P | 52.4 | Low | 39.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | -142.9 | 139.6 | 110.9 | 22.9 | -1.8 | 0 | 0 | 0 | 113.3 | |||||
| 112 | N | 31.3 | Very low | 39.3 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | 93 | 126.1 | 62.2 | -172.7 | 78.4 | 0 | 0 | 0 | 113.8 | H110 | H110-N112 PolarHBondContact ND1-N 2.81Š| |||
| 113 | M | 31.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -168.7 | 135.2 | 145.1 | -83.8 | -122.2 | 179.7 | 0 | 0 | 112.1 | ||||
| 114 | E | 34.7 | Very low | 39.4 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -175.1 | 171 | -177.4 | -106.2 | -103.7 | 115.5 | 0 | 0 | 105.6 | ||||
| 115 | P | 63.8 | Low | 40.6 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | cis | -117.5 | -150.8 | -38.3 | 35.8 | -15.7 | 0 | 0 | 0 | 109.7 | ||||
| 116 | P | 56.1 | Low | 40.5 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | -150.8 | 179.1 | 65.9 | 39.4 | -16.4 | 0 | 0 | 0 | 118.1 | |||||
| 117 | D | 41.8 | Very low | 40.6 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -80.5 | 170.1 | -177.2 | -62 | -86.8 | 0 | 0 | 0 | 118.1 | ||||
| 118 | L | 44.3 | Very low | 40.7 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 143.3 | 142.4 | 105.8 | -144.9 | 74.4 | 0 | 0 | 0 | 117.3 | |||||
| 119 | M | 40.6 | Very low | 40.6 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | 67.5 | 153.8 | 161.3 | -59.1 | -48.2 | -175.7 | 0 | 0 | 122.4 | ||||
| 120 | D | 35.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 58% | 0.583 | 76% | 0.759 | S | S | * | * | cis | -169.6 | 159.5 | -44.6 | -138.9 | -31.9 | 0 | 0 | 0 | 113.1 | ||||
| 121 | H | 41.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | 57.4 | 165.8 | 162.9 | -34.3 | -45.1 | 0 | 0 | 0 | 119.5 | ||||
| 122 | I | 38.9 | Very low | 39.6 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | cis | -144.6 | 152.7 | 7.4 | -43.7 | 163 | 0 | 0 | 0 | 110.2 | ||||
| 123 | N | 31.2 | Very low | 39.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | 126.7 | 116.2 | 135.3 | -117.7 | 6.8 | 0 | 0 | 0 | 119.5 | ||||
| 124 | S | 36.7 | Very low | 39.8 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -117.2 | -161.9 | 178.6 | -131.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 125 | P | 57.7 | Low | 39.6 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | cis | -117.2 | -156.4 | 9.7 | 46.4 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 126 | S | 32.2 | Very low | 38.3 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -146.6 | 146.3 | 11.4 | -107.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 127 | L | 37.4 | Very low | 37.1 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | 65.6 | 135.2 | 74.7 | -55.7 | -175.6 | 0 | 0 | 0 | 115.8 | |||||
| 128 | A | 36.5 | Very low | 36.7 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | cis | -166.5 | 170.9 | -15.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 129 | L | 34.6 | Very low | 36.1 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 156 | 177.3 | 172.1 | 71.2 | 0 | 0 | 0 | 114.2 | ||||
| 130 | M | 33 | Very low | 35.8 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -151.1 | 145.6 | 147.2 | -176.6 | 154.1 | 64.9 | 0 | 0 | 113.1 | ||||
| 131 | S | 35.2 | Very low | 35.6 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 79% | 0.793 | S | S | * | * | trans | -109.9 | 160.3 | 173.9 | -62 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 132 | S | 36.2 | Very low | 35.1 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 69.9 | 124.5 | 144.3 | 56.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 133 | H | 35.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 112.3 Ų | 112.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 105 | 155.5 | 134.5 | -135.2 | -103.1 | 0 | 0 | 0 | 120.9 | ||||
| 134 | D | 34.3 | Very low | 34.8 | Very low | 145 Ų | 145 | 108.7 Ų | 108.7 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 64.6 | 140.1 | -171.2 | -80.5 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 135 | G | 30.3 | Very low | 34.5 | Very low | 61 Ų | 61 | 107.6 Ų | 107.6 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | cis | 171.2 | 151.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 136 | S | 35.4 | Very low | 33.2 | Very low | 130 Ų | 130 | 105.6 Ų | 105.6 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 76 | 122 | 156.6 | -55.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 137 | G | 32.3 | Very low | 33.3 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | 94.3 | 133.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 138 | G | 32.3 | Very low | 33.1 | Very low | 80 Ų | 80 | 109.8 Ų | 109.8 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | cis | 174.2 | 154.8 | -6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 139 | G | 32.8 | Very low | 32.9 | Very low | 86 Ų | 86 | 110.4 Ų | 110.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | 81.2 | 132.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 140 | G | 32.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 109.7 Ų | 109.7 | 92% | 0.918 | 82% | 0.824 | S | S | * | * | cis | 106.5 | 134 | 30.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 141 | G | 31.9 | Very low | 32.8 | Very low | 78 Ų | 78 | 106.7 Ų | 106.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | cis | -166.2 | -178.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 142 | G | 31.5 | Very low | 32.6 | Very low | 83 Ų | 83 | 107 Ų | 107 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -69.2 | 151.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 143 | G | 31.6 | Very low | 32.9 | Very low | 84 Ų | 84 | 108.9 Ų | 108.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | 77.3 | 154.1 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 144 | G | 31.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 106.4 Ų | 106.4 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 93.5 | 117.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 145 | G | 30 | Very low | 34.2 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -80.3 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 146 | G | 29.9 | Very low | 35.6 | Very low | 67 Ų | 67 | 109.4 Ų | 109.4 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | trans | 116.4 | 141.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 147 | L | 35.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 112 Ų | 112 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | 73.4 | 137.1 | 159.3 | -35 | -179.4 | 0 | 0 | 0 | 113.9 | ||||
| 148 | I | 32.6 | Very low | 36.2 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | cis | -146.2 | 166.5 | 13.3 | 42.8 | 173.3 | 0 | 0 | 0 | 112.5 | ||||
| 149 | S | 32.6 | Very low | 36.4 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -75 | 162.8 | -175.2 | -41.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 150 | T | 32 | Very low | 36.9 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | -175.6 | 167.8 | 113.2 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 151 | S | 33.5 | Very low | 37 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -158.3 | 127.6 | -67.5 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 152 | A | 30.8 | Very low | 37 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -166.5 | 119.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 153 | H | 42.8 | Very low | 37.6 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 159.1 | 176.3 | -115 | 58.4 | 0 | 0 | 0 | 107.2 | H155 | H153-H155 AromaticContact NE2-CE1 3.66Å; H153-H155 AromaticContact NE2-ND1 3.99Å | ||
| 154 | P | 54.4 | Low | 37.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | -152.2 | 169.9 | 77 | 38.2 | -17.2 | 0 | 0 | 0 | 118.3 | |||||
| 155 | H | 42.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | trans | -85 | -159.2 | 161.4 | -63.5 | -2.9 | 0 | 0 | 0 | 110.7 | H153 | H153-H155 AromaticContact NE2-CE1 3.66Å; H153-H155 AromaticContact NE2-ND1 3.99Å | ||
| 156 | P | 58.8 | Low | 38.6 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -144.3 | 152.5 | 76.4 | 34.3 | -14.7 | 0 | 0 | 0 | 117.7 | |||||
| 157 | H | 42.2 | Very low | 39 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -106.1 | 162.3 | 150.1 | -99.4 | -84.4 | 0 | 0 | 0 | 108.6 | ||||
| 158 | S | 39.4 | Very low | 39.2 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -159.5 | 155.5 | 173.8 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 159 | H | 35.8 | Very low | 39.3 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | cis | -160.1 | 170 | -24.7 | -161 | -87.2 | 0 | 0 | 0 | 107.6 | H161 | H159-H161 AromaticContact CE1-CD2 3.86Å; H159-H161 AromaticContact CE1-NE2 3.76Å; H159-H161 AromaticContact ND1-CD2 3.7Å | ||
| 160 | M | 42.2 | Very low | 39.4 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -125.9 | 145.2 | 175.7 | -165.6 | -177.8 | 82 | 0 | 0 | 112.1 | ||||
| 161 | H | 36 | Very low | 39.6 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -162.4 | 155.1 | 163.9 | -87.3 | -83.1 | 0 | 0 | 0 | 106.7 | H159 | H159-H161 AromaticContact CE1-CD2 3.86Å; H159-H161 AromaticContact CE1-NE2 3.76Å; H159-H161 AromaticContact ND1-CD2 3.7Å | ||
| 162 | G | 32 | Very low | 39.8 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | -172.4 | 175.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 163 | L | 43.9 | Very low | 40 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 96% | 0.963 | 78% | 0.782 | S | S | * | * | trans | -81.3 | 142 | -176.6 | -70.8 | 140.5 | 0 | 0 | 0 | 113.5 | ||||
| 164 | S | 34.6 | Very low | 39.8 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -166.5 | 168 | 138.1 | -159.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 165 | H | 38.1 | Very low | 38.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -126.8 | 126.4 | -167.2 | 152.4 | -65 | 0 | 0 | 0 | 110.5 | ||||
| 166 | L | 40.3 | Very low | 38.7 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -161.6 | 144.2 | 152.2 | -153.1 | 56.9 | 0 | 0 | 0 | 113.6 | ||||
| 167 | S | 38.1 | Very low | 38.4 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | -95.9 | 155.3 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 168 | H | 39.9 | Very low | 38.2 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | 168.1 | 133.8 | 153.4 | -96.3 | 70.2 | 0 | 0 | 0 | 105.8 | ||||
| 169 | Q | 35.5 | Very low | 38 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | cis | 89.3 | 133.2 | 29.3 | -164.8 | 167.4 | 21.1 | 0 | 0 | 115.6 | ||||
| 170 | A | 34.5 | Very low | 38 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 72.7 | 119 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 171 | A | 35.7 | Very low | 37.7 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 91.4 | 135.7 | 51.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 172 | M | 37.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | trans | 67.6 | 146.2 | 170.6 | -42.4 | -51.1 | 173.3 | 0 | 0 | 115.7 | ||||
| 173 | N | 35.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | cis | -168.3 | 153.1 | 33.8 | -167.6 | 47.7 | 0 | 0 | 0 | 112.3 | ||||
| 174 | M | 37.5 | Very low | 37.3 | Very low | 159 Ų | 159 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | 6.5 | 136.4 | 157.9 | -54.4 | -66.6 | -178.8 | 0 | 0 | 121.5 | ||||
| 175 | N | 36.8 | Very low | 37.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | -157.9 | 128.1 | 113.1 | -153 | 40.1 | 0 | 0 | 0 | 113.5 | |||||
| 176 | S | 38.3 | Very low | 37.6 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -104.9 | 170.1 | 158 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 177 | P | 51.5 | Low | 37.6 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -142.6 | 165 | 104.8 | 30.4 | -12.6 | 0 | 0 | 0 | 116.1 | |||||
| 178 | L | 38.8 | Very low | 37.8 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -82.5 | 164.1 | -178.9 | -88.9 | 67.1 | 0 | 0 | 0 | 114.2 | ||||
| 179 | T | 34.5 | Very low | 37.3 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -167.8 | 146.6 | 131.7 | 24.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 180 | H | 37.5 | Very low | 37.2 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | cis | -168.8 | 141.7 | -24.3 | -145.6 | 41.1 | 0 | 0 | 0 | 110.7 | ||||
| 181 | H | 36 | Very low | 37 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 48.9 | 145.8 | 162 | -80.6 | -105.1 | 0 | 0 | 0 | 121.3 | ||||
| 182 | G | 29.9 | Very low | 37.2 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | cis | -173.7 | -170.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 183 | L | 35.1 | Very low | 36.9 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | cis | -146.9 | -155.5 | 1.8 | -77.2 | 108.3 | 0 | 0 | 0 | 109.7 | ||||
| 184 | L | 36.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -139.3 | -177.8 | 178.8 | -77.6 | 175.2 | 0 | 0 | 0 | 108.2 | ||||
| 185 | P | 48.9 | Very low | 37.3 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -151.4 | 178.2 | 20.7 | 44.3 | -22.9 | 0 | 0 | 0 | 120.7 | ||||
| 186 | G | 31.9 | Very low | 37.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 108.3 | 145.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 187 | H | 38.8 | Very low | 37.1 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | cis | -164.4 | 151.5 | -5.9 | -133.5 | 111.5 | 0 | 0 | 0 | 110.8 | ||||
| 188 | H | 41.9 | Very low | 36.7 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 60.6 | 146 | 172.5 | -57.9 | -64.1 | 0 | 0 | 0 | 117.6 | ||||
| 189 | G | 30.9 | Very low | 36.7 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | cis | 138.5 | 103.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 190 | G | 32.3 | Very low | 37.2 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | 110 | 121.7 | 80.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 191 | G | 31.5 | Very low | 37 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 171.4 | 121.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 192 | Q | 38.9 | Very low | 37.3 | Very low | 209 Ų | 209 | 123.2 Ų | 123.2 | 98% | 0.977 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 155.6 | -177.4 | -61.5 | 172 | 65.7 | 0 | 0 | 112.2 | ||||
| 193 | G | 31.9 | Very low | 37.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 126.5 | 130.4 | 141 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 194 | G | 33.6 | Very low | 38.1 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 98.4 | 123.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 195 | P | 46.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 121 Ų | 121 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -92.5 | 151.7 | 173.6 | 36.1 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 196 | G | 38.9 | Very low | 38.2 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 117 | 82.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 197 | L | 33.4 | Very low | 39 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -144.1 | 71 | 156.4 | -76.5 | -177.3 | 0 | 0 | 0 | 110.8 | N199 | L197-N199 PolarHBondContact O-N 3.42Š| ||
| 198 | N | 43.1 | Very low | 39.5 | Very low | 163 Ų | 163 | 120 Ų | 120 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -91.1 | 79.5 | 162.2 | -102.4 | 65.7 | 0 | 0 | 0 | 108.8 | ||||
| 199 | N | 38.6 | Very low | 39.9 | Very low | 150 Ų | 150 | 118.2 Ų | 118.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -96.9 | 106.8 | 170.3 | -156.8 | 33.9 | 0 | 0 | 0 | 109 | L197 G201 | L197-N199 PolarHBondContact O-N 3.42Å; N199-G201 PolarHBondContact O-N 3.08Å | ||
| 200 | N | 44.7 | Very low | 41.6 | Very low | 149 Ų | 149 | 115.9 Ų | 115.9 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 108.4 | 174.7 | -102.2 | 19.4 | 0 | 0 | 0 | 109.1 | L202 | N200-L202 PolarHBondContact O-N 2.98Å; N200-L202 VanDerWaalsContact O-N 3.09Å | ||
| 201 | G | 32.9 | Very low | 43.9 | Very low | 68 Ų | 68 | 115.7 Ų | 115.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -63.4 | 109.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N199 S203 | N199-G201 PolarHBondContact O-N 3.08Å; G201-S203 PolarHBondContact O-N 3.13Å; G201-S203 VanDerWaalsContact O-N 3.08Å | ||
| 202 | L | 43.6 | Very low | 46.3 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 71% | 0.707 | 72% | 0.715 | S | S | * | * | trans | -52.3 | 108.5 | 169.9 | 175.5 | 65 | 0 | 0 | 0 | 109.8 | I46 N200 S204 | I46-L202 HydrophobicContact CD1-CD2 4.32Å; N200-L202 PolarHBondContact O-N 2.98Å; N200-L202 VanDerWaalsContact O-N 3.09Å; L202-S204 PolarHBondContact O-N 3.19Å | ||
| 203 | S | 39.3 | Very low | 48.5 | Very low | 108 Ų | 108 | 114.1 Ų | 114.1 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | -59.3 | 122.6 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 110 | G201 | G201-S203 PolarHBondContact O-N 3.13Å; G201-S203 VanDerWaalsContact O-N 3.08Å | ||
| 204 | S | 40.5 | Very low | 51.3 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -57.1 | 139.1 | -178.7 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | L202 N206 | L202-S204 PolarHBondContact O-N 3.19Å; S204-N206 PolarHBondContact O-N 3.22Å | ||
| 205 | I | 50.4 | Low | 54.1 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -75.3 | 87.7 | 175.8 | -57 | 167.8 | 0 | 0 | 0 | 108.3 | D207 | I205-D207 PolarHBondContact O-N 3.37Š| ||
| 206 | N | 37.3 | Very low | 56.3 | Low | 123 Ų | 123 | 109.6 Ų | 109.6 | 66% | 0.658 | 63% | 0.626 | S | S | * | * | trans | -80.3 | 90.7 | 166.6 | -85.3 | 2.1 | 0 | 0 | 0 | 109.2 | S204 S208 | S204-N206 PolarHBondContact O-N 3.22Å; N206-S208 PolarHBondContact O-N 3.23Å | ||
| 207 | D | 49.8 | Very low | 58.9 | Low | 108 Ų | 108 | 109 Ų | 109 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 21.5 | -177.8 | -154.6 | 13.5 | 0 | 0 | 0 | 114.2 | I205 | I205-D207 PolarHBondContact O-N 3.37Š|
| 208 | S | 48.6 | Very low | 61.9 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -8.2 | -174.6 | -164.6 | 0 | 0 | 0 | 0 | 114.9 | N206 | N206-S208 PolarHBondContact O-N 3.23Š|
| 209 | D | 51 | Low | 64.4 | Low | 139 Ų | 139 | 93.8 Ų | 93.8 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | trans | -140 | 44.5 | -176.1 | -77 | -62.3 | 0 | 0 | 0 | 112.5 | D211 | D209-D211 PolarHBondContact O-N 3.13Š| ||
| 210 | T | 66.9 | Low | 67.1 | Low | 26 Ų | 26 | 92.1 Ų | 92.1 | 16% | 0.16 | 52% | 0.521 | C | S | . | . | trans | -73.1 | 97.4 | 166.3 | -61.5 | 0 | 0 | 0 | 0 | 109 | L215 K273 | T210-L215 HydrophobicContact CG2-CD1 3.76Å; T210-L215 HydrophobicContact CG2-CD2 4.41Å; T210-L215 HydrophobicContact CG2-CG 3.66Å; T210-K273 HydrophobicContact CG2-CD 4.31Å | ||
| 211 | D | 79.3 | Confident | 69.6 | Low | 86 Ų | 86 | 90.3 Ų | 90.3 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | trans | -49.5 | 125.8 | 177.7 | -179.3 | -8.1 | 0 | 0 | 0 | 110.2 | D209 R213 E214 L215 | D209-D211 PolarHBondContact O-N 3.13Å; D211-R213 PolarHBondContact O-N 3.21Å; D211-R213 VanDerWaalsContact O-N 3.09Å; D211-R213 VanDerWaalsContact OD1-CB 3.3Å; D211-R213 WeakPolarHBondContact OD1-CB 3.41Å; D211-R213 PolarHBondContact OD1-N 3.33Å; D211-E214 HydrophobicContact CB-CB 4.28Å; D211-E214 WeakPolarHBondContact O-CA 3.48Å; D211-E214 WeakPolarHBondContact O-CB 3.31Å; D211-E214 PolarHBondContact O-N 2.99Å; D211-L215 PolarHBondContact O-N 3.49Å | ||
| 212 | P | 82.9 | Confident | 72.6 | Confident | 75 Ų | 75 | 87 Ų | 87 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -44.8 | -38.7 | 171.2 | -31 | 36.2 | 0 | 0 | 0 | 113.6 | E214 L215 E216 | P212-E214 VanDerWaalsContact C-N 3.3Å; P212-E214 PolarHBondContact O-N 3.44Å; P212-L215 WeakPolarHBondContact O-CB 3.24Å; P212-L215 PolarHBondContact O-N 3.18Å; P212-E216 WeakPolarHBondContact O-CG 3.23Å; P212-E216 PolarHBondContact O-N 3.39Å |
| 213 | R | 85.8 | Confident | 75.1 | Confident | 185 Ų | 185 | 84.7 Ų | 84.7 | 70% | 0.698 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.3 | -33.1 | 177.3 | -173.9 | 179.6 | -68.2 | -98.7 | -4.5 | 113.1 | D211 A217 | D211-R213 PolarHBondContact O-N 3.21Å; D211-R213 VanDerWaalsContact O-N 3.09Å; D211-R213 VanDerWaalsContact OD1-CB 3.3Å; D211-R213 WeakPolarHBondContact OD1-CB 3.41Å; D211-R213 PolarHBondContact OD1-N 3.33Å; R213-A217 WeakPolarHBondContact O-CB 3.49Å; R213-A217 PolarHBondContact O-N 3.48Å |
| 214 | E | 90.3 | Very high | 77.8 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.3 | -36 | 176.2 | -156.1 | -138.1 | 145 | 0 | 0 | 111.2 | D211 P212 A217 F218 K273 | D211-E214 HydrophobicContact CB-CB 4.28Å; D211-E214 WeakPolarHBondContact O-CA 3.48Å; D211-E214 WeakPolarHBondContact O-CB 3.31Å; D211-E214 PolarHBondContact O-N 2.99Å; P212-E214 VanDerWaalsContact C-N 3.3Å; P212-E214 PolarHBondContact O-N 3.44Å; E214-A217 PolarHBondContact O-N 2.79Å; E214-F218 WeakPolarHBondContact O-CB 3.34Å; E214-F218 PolarHBondContact O-N 3.38Å; E214-K273 IonicContact OE1-NZ 2.68Å; E214-K273 PolarHBondContact OE1-NZ 2.83Å; E214-K273 IonicContact OE2-NZ 3.87Å; E214-K273 PolarHBondContact OE2-NZ 3.45Å |
| 215 | L | 91.8 | Very high | 80.3 | Confident | 5 Ų | 5 | 83.3 Ų | 83.3 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 171.4 | -86.8 | 163.8 | 0 | 0 | 0 | 112.5 | T210 D211 P212 F218 A219 M269 I270 K273 | T210-L215 HydrophobicContact CG2-CD1 3.76Å; T210-L215 HydrophobicContact CG2-CD2 4.41Å; T210-L215 HydrophobicContact CG2-CG 3.66Å; D211-L215 PolarHBondContact O-N 3.49Å; P212-L215 WeakPolarHBondContact O-CB 3.24Å; P212-L215 PolarHBondContact O-N 3.18Å; L215-F218 PolarHBondContact O-N 3.12Å; L215-A219 WeakPolarHBondContact O-CB 3.16Å; L215-A219 PolarHBondContact O-N 3.29Å; L215-M269 HydrophobicContact CD1-CB 4.26Å; L215-M269 HydrophobicContact CD2-CB 4.07Å; L215-M269 HydrophobicContact CD2-CE 4.36Å; L215-I270 HydrophobicContact CD1-CG1 3.99Å; L215-K273 HydrophobicContact CD2-CB 4.14Å; L215-K273 HydrophobicContact CD2-CD 3.86Å; L215-K273 HydrophobicContact CD2-CG 4.25Å |
| 216 | E | 93.1 | Very high | 82.5 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -53.5 | 172.1 | -69.3 | -179 | 166.7 | 0 | 0 | 110.9 | P212 F218 A219 E220 L262 | P212-E216 WeakPolarHBondContact O-CG 3.23Å; P212-E216 PolarHBondContact O-N 3.39Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 2.72Å; E216-A219 PolarHBondContact O-N 3.16Å; E216-E220 PolarHBondContact O-N 3.3Å; E216-L262 HydrophobicContact CB-CD1 4.29Å; E216-L262 HydrophobicContact CG-CD1 3.75Å; E216-L262 HydrophobicContact CG-CD2 4.16Å |
| 217 | A | 93.9 | Very high | 85.1 | Confident | 61 Ų | 61 | 77 Ų | 77 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | R213 E214 R221 | R213-A217 WeakPolarHBondContact O-CB 3.49Å; R213-A217 PolarHBondContact O-N 3.48Å; E214-A217 PolarHBondContact O-N 2.79Å; A217-R221 VanDerWaalsContact O-CB 3.29Å; A217-R221 WeakPolarHBondContact O-CB 3.46Å; A217-R221 PolarHBondContact O-N 2.94Å |
| 218 | F | 96.3 | Very high | 87.1 | Confident | 10 Ų | 10 | 79.6 Ų | 79.6 | 4% | 0.044 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 174.7 | 175.9 | -99.5 | 0 | 0 | 0 | 112.1 | E214 L215 E216 E220 R221 F222 F259 K273 L276 Q277 | E214-F218 WeakPolarHBondContact O-CB 3.34Å; E214-F218 PolarHBondContact O-N 3.38Å; L215-F218 PolarHBondContact O-N 3.12Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 2.72Å; F218-E220 VanDerWaalsContact C-N 3.3Å; F218-E220 PolarHBondContact O-N 3.32Å; F218-R221 PolarHBondContact O-N 3.26Å; F218-F222 HydrophobicContact CE1-CB 4.28Å; F218-F222 HydrophobicContact CZ-CB 4.2Å; F218-F222 HydrophobicContact CZ-CD2 4.08Å; F218-F222 HydrophobicContact CZ-CG 4.46Å; F218-F222 WeakPolarHBondContact O-CB 3.12Å; F218-F222 PolarHBondContact O-N 3.43Å; F218-F259 AromaticContact CD1-CE1 3.71Å; F218-F259 HydrophobicContact CD1-CE1 3.71Å; F218-F259 AromaticContact CD1-CZ 3.6Å; F218-F259 HydrophobicContact CD1-CZ 3.6Å; F218-F259 AromaticContact CE1-CE1 3.53Å; F218-F259 HydrophobicContact CE1-CE1 3.53Å; F218-F259 AromaticContact CE1-CZ 3.48Å; F218-F259 HydrophobicContact CE1-CZ 3.48Å; F218-F259 VanDerWaalsContact CE1-CZ 3.48Å; F218-K273 HydrophobicContact CD1-CG 3.93Å; F218-K273 HydrophobicContact CE1-CG 4.16Å; F218-K273 HydrophobicContact CG-CG 4.22Å; F218-L276 HydrophobicContact CE1-CB 4.13Å; F218-L276 HydrophobicContact CZ-CB 4.04Å; F218-Q277 HydrophobicContact CE2-CB 4.04Å; F218-Q277 HydrophobicContact CZ-CB 4.13Å |
| 219 | A | 96.1 | Very high | 89 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L215 E216 K223 F259 L262 M269 | L215-A219 WeakPolarHBondContact O-CB 3.16Å; L215-A219 PolarHBondContact O-N 3.29Å; E216-A219 PolarHBondContact O-N 3.16Å; A219-K223 VanDerWaalsContact O-CB 3.24Å; A219-K223 WeakPolarHBondContact O-CB 3.15Å; A219-K223 PolarHBondContact O-N 3.19Å; A219-F259 HydrophobicContact CB-CD1 4.32Å; A219-F259 HydrophobicContact CB-CE1 4.02Å; A219-L262 HydrophobicContact CB-CD2 3.82Å; A219-L262 HydrophobicContact CB-CG 4.41Å; A219-M269 HydrophobicContact CB-CE 4.37Å |
| 220 | E | 95.6 | Very high | 90.9 | Very high | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.7 | -49.3 | 172.9 | -68.5 | -153.4 | 145.4 | 0 | 0 | 112.6 | E216 F218 F222 K223 Q224 | E216-E220 PolarHBondContact O-N 3.3Å; F218-E220 VanDerWaalsContact C-N 3.3Å; F218-E220 PolarHBondContact O-N 3.32Å; E220-F222 VanDerWaalsContact C-N 3.32Å; E220-F222 PolarHBondContact O-N 3.26Å; E220-K223 PolarHBondContact O-N 3.07Å; E220-Q224 WeakPolarHBondContact O-CB 3.39Å; E220-Q224 VanDerWaalsContact O-CG 3.26Å; E220-Q224 WeakPolarHBondContact O-CG 3.41Å; E220-Q224 PolarHBondContact O-N 2.96Å |
| 221 | R | 95.4 | Very high | 92 | Very high | 110 Ų | 110 | 71.5 Ų | 71.5 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 176.9 | 178 | -178 | 167.9 | -125.7 | -11.1 | 111 | A217 F218 Q224 R225 E284 | A217-R221 VanDerWaalsContact O-CB 3.29Å; A217-R221 WeakPolarHBondContact O-CB 3.46Å; A217-R221 PolarHBondContact O-N 2.94Å; F218-R221 PolarHBondContact O-N 3.26Å; R221-Q224 PolarHBondContact O-N 3.49Å; R221-R225 VanDerWaalsContact O-CB 3.27Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.39Å; R221-E284 IonicContact NH2-OE2 2.69Å; R221-E284 PolarHBondContact NH2-OE2 2.97Å |
| 222 | F | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.2 | -52.4 | 177.3 | 176.8 | -89.9 | 0 | 0 | 0 | 110.9 | F218 E220 R225 R226 V236 I256 E260 L276 W279 L280 | F218-F222 HydrophobicContact CE1-CB 4.28Å; F218-F222 HydrophobicContact CZ-CB 4.2Å; F218-F222 HydrophobicContact CZ-CD2 4.08Å; F218-F222 HydrophobicContact CZ-CG 4.46Å; F218-F222 WeakPolarHBondContact O-CB 3.12Å; F218-F222 PolarHBondContact O-N 3.43Å; E220-F222 VanDerWaalsContact C-N 3.32Å; E220-F222 PolarHBondContact O-N 3.26Å; F222-R225 PolarHBondContact O-N 3.38Å; F222-R226 VanDerWaalsContact O-CB 3.24Å; F222-R226 WeakPolarHBondContact O-CB 3.43Å; F222-R226 PolarHBondContact O-N 2.94Å; F222-V236 HydrophobicContact CZ-CG1 4.03Å; F222-V236 HydrophobicContact CZ-CG2 4.36Å; F222-I256 HydrophobicContact CE1-CG2 4.07Å; F222-E260 HydrophobicContact CD1-CG 4Å; F222-E260 HydrophobicContact CE1-CG 4.24Å; F222-E260 WeakPolarHBondContact CE1-OE1 3.31Å; F222-L276 HydrophobicContact CD2-CB 4Å; F222-L276 HydrophobicContact CE2-CB 3.7Å; F222-L276 HydrophobicContact CE2-CD2 4.11Å; F222-L276 HydrophobicContact CE2-CG 4.34Å; F222-L276 WeakPolarHBondContact CE2-O 3.28Å; F222-L276 HydrophobicContact CZ-CB 4.28Å; F222-L276 HydrophobicContact CZ-CD1 4.48Å; F222-L276 HydrophobicContact CZ-CD2 3.92Å; F222-L276 HydrophobicContact CZ-CG 4.45Å; F222-W279 AromaticContact CE2-CE3 3.65Å; F222-W279 HydrophobicContact CE2-CE3 3.65Å; F222-W279 AromaticContact CE2-CZ3 3.94Å; F222-W279 HydrophobicContact CE2-CZ3 3.94Å; F222-W279 HydrophobicContact CZ-CE3 4.06Å; F222-W279 HydrophobicContact CZ-CZ3 4.13Å; F222-L280 HydrophobicContact CD2-CB 4.25Å; F222-L280 HydrophobicContact CD2-CD1 4.3Å; F222-L280 HydrophobicContact CD2-CD2 4.24Å; F222-L280 HydrophobicContact CE2-CB 4.44Å |
| 223 | K | 96.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 178 | 179.1 | -174.6 | -175.2 | 176.4 | 0 | 112.4 | A219 E220 R225 I227 E260 | A219-K223 VanDerWaalsContact O-CB 3.24Å; A219-K223 WeakPolarHBondContact O-CB 3.15Å; A219-K223 PolarHBondContact O-N 3.19Å; E220-K223 PolarHBondContact O-N 3.07Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.23Å; K223-I227 HydrophobicContact CG-CD1 4.1Å; K223-I227 WeakPolarHBondContact O-CD1 3.46Å; K223-I227 WeakPolarHBondContact O-CG1 3.47Å; K223-I227 PolarHBondContact O-N 2.99Å; K223-E260 HydrophobicContact CB-CB 4.34Å; K223-E260 HydrophobicContact CB-CG 3.98Å; K223-E260 HydrophobicContact CD-CB 4.25Å; K223-E260 HydrophobicContact CG-CB 4.4Å; K223-E260 HydrophobicContact CG-CG 4.34Å |
| 224 | Q | 95.3 | Very high | 93.4 | Very high | 127 Ų | 127 | 61.8 Ų | 61.8 | 59% | 0.593 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.1 | -46.5 | 177.8 | -71.9 | 175.3 | 23.9 | 0 | 0 | 110.7 | E220 R221 I227 K228 | E220-Q224 WeakPolarHBondContact O-CB 3.39Å; E220-Q224 VanDerWaalsContact O-CG 3.26Å; E220-Q224 WeakPolarHBondContact O-CG 3.41Å; E220-Q224 PolarHBondContact O-N 2.96Å; R221-Q224 PolarHBondContact O-N 3.49Å; Q224-I227 PolarHBondContact O-N 2.93Å; Q224-K228 WeakPolarHBondContact O-CB 3.14Å; Q224-K228 PolarHBondContact O-N 3.34Å |
| 225 | R | 94.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.7 | -41.5 | -176.4 | -169 | 51.9 | 159 | 124.5 | 4.6 | 112.1 | R221 F222 K223 I227 K228 L229 L280 E284 | R221-R225 VanDerWaalsContact O-CB 3.27Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.39Å; F222-R225 PolarHBondContact O-N 3.38Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.23Å; R225-I227 VanDerWaalsContact C-N 3.28Å; R225-I227 PolarHBondContact O-N 3.23Å; R225-K228 CarbonylContact O-C 3.54Å; R225-K228 WeakPolarHBondContact O-CA 3.42Å; R225-K228 WeakPolarHBondContact O-CB 3.38Å; R225-K228 PolarHBondContact O-N 3.4Å; R225-L229 HydrophobicContact CG-CD1 4.17Å; R225-L229 HydrophobicContact CG-CG 4.38Å; R225-L229 VanDerWaalsContact NH1-CD2 3.34Å; R225-L229 WeakPolarHBondContact O-CB 3.47Å; R225-L229 WeakPolarHBondContact O-CG 3.48Å; R225-L229 PolarHBondContact O-N 2.86Å; R225-L280 HydrophobicContact CB-CD1 3.91Å; R225-L280 HydrophobicContact CB-CD2 4.47Å; R225-L280 HydrophobicContact CG-CD1 3.79Å; R225-L280 HydrophobicContact CG-CG 4.45Å; R225-E284 HydrophobicContact CG-CG 3.91Å; R225-E284 IonicContact CZ-OE1 3.93Å; R225-E284 VanDerWaalsContact NE-CD 3.26Å; R225-E284 IonicContact NE-OE1 3.68Å; R225-E284 PolarHBondContact NE-OE1 3.49Å; R225-E284 IonicContact NH2-OE1 2.61Å; R225-E284 PolarHBondContact NH2-OE1 3.37Å |
| 226 | R | 94.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.6 | -42.6 | 170.7 | -165.9 | -141.4 | 75.3 | -138.7 | -5.4 | 111.8 | F222 L229 G230 V231 V236 E260 W279 | F222-R226 VanDerWaalsContact O-CB 3.24Å; F222-R226 WeakPolarHBondContact O-CB 3.43Å; F222-R226 PolarHBondContact O-N 2.94Å; R226-L229 PolarHBondContact O-N 3.21Å; R226-G230 PolarHBondContact O-N 3.49Å; R226-V231 HydrophobicContact CG-CB 4.11Å; R226-V231 HydrophobicContact CG-CG1 4.4Å; R226-V231 PolarHBondContact NE-O 3.24Å; R226-V231 PolarHBondContact O-N 2.87Å; R226-V231 VanDerWaalsContact O-N 3.14Å; R226-V236 HydrophobicContact CG-CG2 3.68Å; R226-E260 IonicContact CZ-OE1 2.71Å; R226-E260 IonicContact CZ-OE2 2.97Å; R226-E260 IonicContact NH1-OE1 3.12Å; R226-E260 PolarHBondContact NH1-OE1 3.13Å; R226-E260 IonicContact NH1-OE2 2.71Å; R226-E260 PolarHBondContact NH1-OE2 3.38Å; R226-W279 HydrophobicContact CG-CH2 4.01Å; R226-W279 HydrophobicContact CG-CZ3 4.25Å |
| 227 | I | 92.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.7 | -67.5 | 164.9 | 0 | 0 | 0 | 111.4 | K223 Q224 R225 L229 G230 | K223-I227 HydrophobicContact CG-CD1 4.1Å; K223-I227 WeakPolarHBondContact O-CD1 3.46Å; K223-I227 WeakPolarHBondContact O-CG1 3.47Å; K223-I227 PolarHBondContact O-N 2.99Å; Q224-I227 PolarHBondContact O-N 2.93Å; R225-I227 VanDerWaalsContact C-N 3.28Å; R225-I227 PolarHBondContact O-N 3.23Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 2.9Å; I227-G230 WeakPolarHBondContact O-CA 3.38Å; I227-G230 PolarHBondContact O-N 2.89Å |
| 228 | K | 91.9 | Very high | 92.8 | Very high | 162 Ų | 162 | 57.4 Ų | 57.4 | 70% | 0.704 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.8 | -32.4 | 177.1 | -176.6 | 175.8 | 180 | 178 | 0 | 113 | Q224 R225 G230 | Q224-K228 WeakPolarHBondContact O-CB 3.14Å; Q224-K228 PolarHBondContact O-N 3.34Å; R225-K228 CarbonylContact O-C 3.54Å; R225-K228 WeakPolarHBondContact O-CA 3.42Å; R225-K228 WeakPolarHBondContact O-CB 3.38Å; R225-K228 PolarHBondContact O-N 3.4Å; K228-G230 PolarHBondContact O-N 3.38Å |
| 229 | L | 88.9 | Confident | 92.3 | Very high | 21 Ų | 21 | 58.4 Ų | 58.4 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.7 | 173 | -62.1 | 166.5 | 0 | 0 | 0 | 112.6 | R225 R226 I227 V231 W279 L280 A283 Q287 | R225-L229 HydrophobicContact CG-CD1 4.17Å; R225-L229 HydrophobicContact CG-CG 4.38Å; R225-L229 VanDerWaalsContact NH1-CD2 3.34Å; R225-L229 WeakPolarHBondContact O-CB 3.47Å; R225-L229 WeakPolarHBondContact O-CG 3.48Å; R225-L229 PolarHBondContact O-N 2.86Å; R226-L229 PolarHBondContact O-N 3.21Å; I227-L229 VanDerWaalsContact C-N 3.29Å; I227-L229 PolarHBondContact O-N 2.9Å; L229-V231 HydrophobicContact CB-CG2 3.91Å; L229-V231 PolarHBondContact O-N 3.01Å; L229-W279 HydrophobicContact CD1-CH2 4.19Å; L229-W279 HydrophobicContact CD1-CZ3 4.48Å; L229-L280 HydrophobicContact CD1-CD1 4.14Å; L229-A283 HydrophobicContact CD1-CB 3.92Å; L229-Q287 HydrophobicContact CD2-CB 4.06Å; L229-Q287 HydrophobicContact CD2-CG 3.54Å |
| 230 | G | 89.8 | Confident | 91.7 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -2.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R226 I227 K228 | R226-G230 PolarHBondContact O-N 3.49Å; I227-G230 WeakPolarHBondContact O-CA 3.38Å; I227-G230 PolarHBondContact O-N 2.89Å; K228-G230 PolarHBondContact O-N 3.38Å |
| 231 | V | 91.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | trans | -78.2 | 139.9 | -171.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | R226 L229 D235 V236 W279 | R226-V231 HydrophobicContact CG-CB 4.11Å; R226-V231 HydrophobicContact CG-CG1 4.4Å; R226-V231 PolarHBondContact NE-O 3.24Å; R226-V231 PolarHBondContact O-N 2.87Å; R226-V231 VanDerWaalsContact O-N 3.14Å; L229-V231 HydrophobicContact CB-CG2 3.91Å; L229-V231 PolarHBondContact O-N 3.01Å; V231-D235 HydrophobicContact CG1-CB 3.65Å; V231-V236 HydrophobicContact CG1-CG2 3.96Å; V231-W279 HydrophobicContact CB-CH2 4.27Å; V231-W279 HydrophobicContact CB-CZ2 4.42Å; V231-W279 HydrophobicContact CG1-CH2 4.07Å; V231-W279 HydrophobicContact CG1-CZ2 3.85Å; V231-W279 HydrophobicContact CG2-CH2 4.35Å; V231-W279 HydrophobicContact CG2-CZ2 4.35Å | ||
| 232 | T | 94.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | trans | -89.9 | 162.3 | 174.3 | 82.2 | 0 | 0 | 0 | 0 | 112.6 | A234 D235 V236 | T232-A234 PolarHBondContact O-N 3.41Å; T232-A234 PolarHBondContact OG1-N 3.16Å; T232-D235 WeakPolarHBondContact CA-OD2 3.42Å; T232-D235 WeakPolarHBondContact CB-OD2 3.06Å; T232-D235 VanDerWaalsContact CG2-OD2 3.28Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.21Å; T232-D235 PolarHBondContact N-OD2 2.94Å; T232-D235 PolarHBondContact O-N 3.37Å; T232-D235 VanDerWaalsContact O-N 3.08Å; T232-D235 PolarHBondContact OG1-N 3.08Å; T232-D235 PolarHBondContact OG1-OD2 3.46Å; T232-V236 PolarHBondContact O-N 3.18Å; T232-V236 VanDerWaalsContact O-N 3.08Å | ||
| 233 | Q | 92.8 | Very high | 87.8 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -28.2 | 177.5 | -69.2 | 173.5 | -22.9 | 0 | 0 | 113.5 | G237 Q253 I256 E260 | Q233-G237 PolarHBondContact O-N 3.22Å; Q233-Q253 HydrophobicContact CB-CG 3.8Å; Q233-I256 HydrophobicContact CB-CB 4.13Å; Q233-I256 HydrophobicContact CB-CG2 4.06Å; Q233-I256 HydrophobicContact CG-CB 4.39Å; Q233-I256 HydrophobicContact CG-CG2 3.94Å; Q233-E260 PolarHBondContact NE2-OE2 3.05Å |
| 234 | A | 89.9 | Confident | 86 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.9 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T232 G237 N238 Q253 | T232-A234 PolarHBondContact O-N 3.41Å; T232-A234 PolarHBondContact OG1-N 3.16Å; A234-G237 PolarHBondContact O-N 3.28Å; A234-G237 VanDerWaalsContact O-N 3.17Å; A234-N238 VanDerWaalsContact O-CG 3.28Å; A234-N238 PolarHBondContact O-N 2.99Å; A234-N238 PolarHBondContact O-ND2 3.45Å; A234-Q253 HydrophobicContact CB-CB 4.09Å; A234-Q253 HydrophobicContact CB-CG 4.28Å |
| 235 | D | 91.4 | Very high | 84.5 | Confident | 71 Ų | 71 | 61 Ų | 61 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | -179.9 | -50.1 | -41.6 | 0 | 0 | 0 | 111.6 | V231 T232 N238 A239 | V231-D235 HydrophobicContact CG1-CB 3.65Å; T232-D235 WeakPolarHBondContact CA-OD2 3.42Å; T232-D235 WeakPolarHBondContact CB-OD2 3.06Å; T232-D235 VanDerWaalsContact CG2-OD2 3.28Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.21Å; T232-D235 PolarHBondContact N-OD2 2.94Å; T232-D235 PolarHBondContact O-N 3.37Å; T232-D235 VanDerWaalsContact O-N 3.08Å; T232-D235 PolarHBondContact OG1-N 3.08Å; T232-D235 PolarHBondContact OG1-OD2 3.46Å; D235-N238 PolarHBondContact O-N 3.13Å; D235-A239 WeakPolarHBondContact O-CB 3.46Å; D235-A239 PolarHBondContact O-N 3Å |
| 236 | V | 91.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.6 | -52.3 | 168.2 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | F222 R226 V231 T232 N238 A239 L240 I256 L276 W279 | F222-V236 HydrophobicContact CZ-CG1 4.03Å; F222-V236 HydrophobicContact CZ-CG2 4.36Å; R226-V236 HydrophobicContact CG-CG2 3.68Å; V231-V236 HydrophobicContact CG1-CG2 3.96Å; T232-V236 PolarHBondContact O-N 3.18Å; T232-V236 VanDerWaalsContact O-N 3.08Å; V236-N238 VanDerWaalsContact C-N 3.29Å; V236-N238 PolarHBondContact O-N 3.46Å; V236-A239 PolarHBondContact O-N 3.12Å; V236-L240 HydrophobicContact CG1-CD1 4.07Å; V236-L240 WeakPolarHBondContact O-CG 3.49Å; V236-L240 PolarHBondContact O-N 3.37Å; V236-I256 HydrophobicContact CB-CG1 4.38Å; V236-I256 HydrophobicContact CG1-CD1 3.81Å; V236-I256 HydrophobicContact CG1-CG1 4.16Å; V236-I256 HydrophobicContact CG1-CG2 4.47Å; V236-L276 HydrophobicContact CG1-CD2 4.15Å; V236-W279 HydrophobicContact CG1-CD2 4.19Å; V236-W279 HydrophobicContact CG1-CE3 4.43Å; V236-W279 HydrophobicContact CG2-CE3 4.45Å; V236-W279 HydrophobicContact CG2-CH2 3.77Å; V236-W279 HydrophobicContact CG2-CZ2 3.83Å; V236-W279 HydrophobicContact CG2-CZ3 4.07Å |
| 237 | G | 88.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.8 | -38.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q233 A234 L251 | Q233-G237 PolarHBondContact O-N 3.22Å; A234-G237 PolarHBondContact O-N 3.28Å; A234-G237 VanDerWaalsContact O-N 3.17Å; G237-L251 WeakPolarHBondContact CA-O 3.5Å |
| 238 | N | 85.4 | Confident | 79.2 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -75 | -40.6 | 175.3 | -64.4 | -27.7 | 0 | 0 | 0 | 112.4 | A234 D235 V236 L240 V241 | A234-N238 VanDerWaalsContact O-CG 3.28Å; A234-N238 PolarHBondContact O-N 2.99Å; A234-N238 PolarHBondContact O-ND2 3.45Å; D235-N238 PolarHBondContact O-N 3.13Å; V236-N238 VanDerWaalsContact C-N 3.29Å; V236-N238 PolarHBondContact O-N 3.46Å; N238-L240 VanDerWaalsContact C-N 3.3Å; N238-L240 PolarHBondContact O-N 3.41Å; N238-V241 WeakPolarHBondContact O-CB 3.49Å; N238-V241 PolarHBondContact O-N 3.47Å |
| 239 | A | 84.8 | Confident | 78 | Confident | 30 Ų | 30 | 56 Ų | 56 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -29.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D235 V236 V241 N242 L243 | D235-A239 WeakPolarHBondContact O-CB 3.46Å; D235-A239 PolarHBondContact O-N 3Å; V236-A239 PolarHBondContact O-N 3.12Å; A239-V241 PolarHBondContact O-N 2.82Å; A239-N242 PolarHBondContact O-N 3.35Å; A239-L243 PolarHBondContact O-N 3.05Å; A239-L243 VanDerWaalsContact O-N 3.14Å |
| 240 | L | 83.9 | Confident | 77.4 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.6 | -32.4 | 172.9 | -76.8 | 165.4 | 0 | 0 | 0 | 113.1 | V236 N238 N242 L243 L251 I275 L276 W279 | V236-L240 HydrophobicContact CG1-CD1 4.07Å; V236-L240 WeakPolarHBondContact O-CG 3.49Å; V236-L240 PolarHBondContact O-N 3.37Å; N238-L240 VanDerWaalsContact C-N 3.3Å; N238-L240 PolarHBondContact O-N 3.41Å; L240-N242 VanDerWaalsContact C-N 3.3Å; L240-N242 PolarHBondContact O-N 3.11Å; L240-L243 HydrophobicContact CD2-CD1 4.13Å; L240-L243 PolarHBondContact O-N 3.14Å; L240-L251 HydrophobicContact CD1-CB 4.1Å; L240-L251 HydrophobicContact CD1-CD1 3.52Å; L240-L251 HydrophobicContact CD1-CG 3.79Å; L240-I275 HydrophobicContact CD1-CG2 4.35Å; L240-I275 HydrophobicContact CD2-CG2 3.58Å; L240-L276 HydrophobicContact CD1-CD2 4.07Å; L240-W279 HydrophobicContact CD2-CB 3.75Å; L240-W279 HydrophobicContact CD2-CG 4.26Å; L240-W279 HydrophobicContact CG-CB 4.48Å; L240-W279 HydrophobicContact CG-CG 4.49Å |
| 241 | V | 75.9 | Confident | 77.2 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 172.9 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | N238 A239 S250 | N238-V241 WeakPolarHBondContact O-CB 3.49Å; N238-V241 PolarHBondContact O-N 3.47Å; A239-V241 PolarHBondContact O-N 2.82Å; V241-S250 VanDerWaalsContact CG2-CB 3.48Å |
| 242 | N | 66.5 | Low | 77.1 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 68% | 0.684 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.2 | -21.7 | -176.4 | -64.7 | -22.6 | 0 | 0 | 0 | 113 | A239 L240 K244 | A239-N242 PolarHBondContact O-N 3.35Å; L240-N242 VanDerWaalsContact C-N 3.3Å; L240-N242 PolarHBondContact O-N 3.11Å; N242-K244 PolarHBondContact O-N 3.14Å |
| 243 | L | 64.6 | Low | 76.9 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.8 | 177.5 | -90.5 | 165.4 | 0 | 0 | 0 | 114.2 | A239 L240 I245 W279 E282 | A239-L243 PolarHBondContact O-N 3.05Å; A239-L243 VanDerWaalsContact O-N 3.14Å; L240-L243 HydrophobicContact CD2-CD1 4.13Å; L240-L243 PolarHBondContact O-N 3.14Å; L243-I245 HydrophobicContact CB-CG1 4.33Å; L243-I245 PolarHBondContact O-N 3.23Å; L243-W279 HydrophobicContact CD1-CB 3.66Å; L243-W279 VanDerWaalsContact CD1-CD1 3.49Å; L243-W279 HydrophobicContact CD1-CG 3.96Å; L243-E282 HydrophobicContact CD2-CB 4.12Å; L243-E282 HydrophobicContact CD2-CG 3.93Å |
| 244 | K | 58 | Low | 76.9 | Confident | 182 Ų | 182 | 59.3 Ų | 59.3 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 30.3 | 174.4 | -71.8 | 173.2 | 175.8 | 172.9 | 0 | 114.3 | N242 P246 | N242-K244 PolarHBondContact O-N 3.14Å; K244-P246 VanDerWaalsContact O-CD 3.25Å; K244-P246 WeakPolarHBondContact O-CD 3.39Å |
| 245 | I | 63.6 | Low | 77.1 | Confident | 57 Ų | 57 | 59 Ų | 59 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | trans | -65.6 | 116.5 | 166.3 | -57.7 | 175.6 | 0 | 0 | 0 | 106.2 | L243 G247 V248 A278 | L243-I245 HydrophobicContact CB-CG1 4.33Å; L243-I245 PolarHBondContact O-N 3.23Å; I245-G247 PolarHBondContact O-N 2.91Å; I245-V248 HydrophobicContact CB-CB 4.19Å; I245-V248 HydrophobicContact CB-CG2 4.07Å; I245-V248 HydrophobicContact CG2-CB 4.31Å; I245-V248 HydrophobicContact CG2-CG2 3.64Å; I245-V248 PolarHBondContact O-N 3.03Å; I245-A278 HydrophobicContact CD1-CB 4.29Å | ||
| 246 | P | 51.2 | Low | 77.3 | Confident | 121 Ų | 121 | 55.7 Ų | 55.7 | 79% | 0.786 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 125 | -174.7 | -26 | 35.7 | 0 | 0 | 0 | 111 | K244 V248 | K244-P246 VanDerWaalsContact O-CD 3.25Å; K244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-V248 PolarHBondContact O-N 3.21Å |
| 247 | G | 56.1 | Low | 77.5 | Confident | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -6.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L55 I245 G249 | L55-G247 WeakPolarHBondContact CD1-O 3.41Å; I245-G247 PolarHBondContact O-N 2.91Å; G247-G249 PolarHBondContact O-N 2.69Å |
| 248 | V | 63.6 | Low | 77.8 | Confident | 27 Ų | 27 | 64 Ų | 64 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | trans | -87 | 106.7 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 110 | I245 P246 I275 | I245-V248 HydrophobicContact CB-CB 4.19Å; I245-V248 HydrophobicContact CB-CG2 4.07Å; I245-V248 HydrophobicContact CG2-CB 4.31Å; I245-V248 HydrophobicContact CG2-CG2 3.64Å; I245-V248 PolarHBondContact O-N 3.03Å; P246-V248 PolarHBondContact O-N 3.21Å; V248-I275 HydrophobicContact CG1-CD1 4.21Å; V248-I275 HydrophobicContact CG1-CG2 3.81Å; V248-I275 HydrophobicContact CG2-CD1 3.86Å; V248-I275 HydrophobicContact CG2-CG1 4.11Å | ||
| 249 | G | 66 | Low | 78.3 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | trans | -73.4 | -177.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | G247 L251 | G247-G249 PolarHBondContact O-N 2.69Å; G249-L251 PolarHBondContact O-N 3.06Å | ||
| 250 | S | 75.8 | Confident | 78.9 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 123.7 | 172.3 | 41.5 | 0 | 0 | 0 | 0 | 111.2 | V241 | V241-S250 VanDerWaalsContact CG2-CB 3.48Š|
| 251 | L | 85.6 | Confident | 79.4 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 134.3 | 169.3 | -63.5 | -172.6 | 0 | 0 | 0 | 109.9 | G237 L240 G249 I256 L272 L276 | G237-L251 WeakPolarHBondContact CA-O 3.5Å; L240-L251 HydrophobicContact CD1-CB 4.1Å; L240-L251 HydrophobicContact CD1-CD1 3.52Å; L240-L251 HydrophobicContact CD1-CG 3.79Å; G249-L251 PolarHBondContact O-N 3.06Å; L251-I256 HydrophobicContact CB-CD1 3.93Å; L251-I256 HydrophobicContact CD1-CD1 3.81Å; L251-L272 HydrophobicContact CD1-CD2 3.62Å; L251-L272 HydrophobicContact CD2-CD2 4.06Å; L251-L276 HydrophobicContact CD1-CD2 4.23Å |
| 252 | S | 89.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 149.3 | 176.7 | 81.3 | 0 | 0 | 0 | 0 | 111.1 | D65 S254 T255 I256 | D65-S252 PolarHBondContact OD2-OG 3.09Å; D65-S252 VanDerWaalsContact OD2-OG 3.11Å; S252-S254 PolarHBondContact O-N 3.27Å; S252-S254 PolarHBondContact OG-OG 3.34Å; S252-T255 WeakPolarHBondContact O-CB 3.33Å; S252-T255 PolarHBondContact O-N 3.21Å; S252-T255 PolarHBondContact OG-N 3.49Å; S252-T255 PolarHBondContact OG-OG1 3.17Å; S252-I256 PolarHBondContact O-N 2.78Å |
| 253 | Q | 91.8 | Very high | 81.6 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -50.5 | -33.5 | 172.7 | 175.8 | -84.4 | -43.2 | 0 | 0 | 111.8 | Q233 A234 C257 | Q233-Q253 HydrophobicContact CB-CG 3.8Å; A234-Q253 HydrophobicContact CB-CB 4.09Å; A234-Q253 HydrophobicContact CB-CG 4.28Å; Q253-C257 VanDerWaalsContact O-CB 3.31Å; Q253-C257 WeakPolarHBondContact O-CB 3.3Å; Q253-C257 PolarHBondContact O-N 3.26Å |
| 254 | S | 92.6 | Very high | 82.9 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.3 | -37 | 178.9 | 91 | 0 | 0 | 0 | 0 | 112.3 | S252 C257 R258 | S252-S254 PolarHBondContact O-N 3.27Å; S252-S254 PolarHBondContact OG-OG 3.34Å; S254-C257 PolarHBondContact O-N 3.36Å; S254-R258 VanDerWaalsContact O-CG 3.31Å; S254-R258 WeakPolarHBondContact O-CG 3.48Å; S254-R258 PolarHBondContact O-N 3.35Å |
| 255 | T | 93.4 | Very high | 84.5 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | S252 C257 R258 F259 L264 L272 | S252-T255 WeakPolarHBondContact O-CB 3.33Å; S252-T255 PolarHBondContact O-N 3.21Å; S252-T255 PolarHBondContact OG-N 3.49Å; S252-T255 PolarHBondContact OG-OG1 3.17Å; T255-C257 VanDerWaalsContact C-N 3.28Å; T255-C257 PolarHBondContact O-N 2.9Å; T255-R258 PolarHBondContact O-N 3.02Å; T255-R258 VanDerWaalsContact O-N 3.17Å; T255-F259 PolarHBondContact O-N 2.93Å; T255-L264 HydrophobicContact CG2-CD1 4.44Å; T255-L272 HydrophobicContact CG2-CD1 3.76Å |
| 256 | I | 94.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 175.6 | -51.3 | -56.7 | 0 | 0 | 0 | 110.8 | F222 Q233 V236 L251 S252 R258 F259 E260 L276 | F222-I256 HydrophobicContact CE1-CG2 4.07Å; Q233-I256 HydrophobicContact CB-CB 4.13Å; Q233-I256 HydrophobicContact CB-CG2 4.06Å; Q233-I256 HydrophobicContact CG-CB 4.39Å; Q233-I256 HydrophobicContact CG-CG2 3.94Å; V236-I256 HydrophobicContact CB-CG1 4.38Å; V236-I256 HydrophobicContact CG1-CD1 3.81Å; V236-I256 HydrophobicContact CG1-CG1 4.16Å; V236-I256 HydrophobicContact CG1-CG2 4.47Å; L251-I256 HydrophobicContact CB-CD1 3.93Å; L251-I256 HydrophobicContact CD1-CD1 3.81Å; S252-I256 PolarHBondContact O-N 2.78Å; I256-R258 PolarHBondContact O-N 3.23Å; I256-F259 PolarHBondContact O-N 3.41Å; I256-E260 WeakPolarHBondContact CG2-OE1 3.49Å; I256-E260 WeakPolarHBondContact O-CG 3.49Å; I256-E260 PolarHBondContact O-N 3.05Å; I256-L276 HydrophobicContact CD1-CD2 3.74Å |
| 257 | C | 95.9 | Very high | 87.4 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.7 | -167.3 | 0 | 0 | 0 | 0 | 113.2 | Q253 S254 T255 S261 | Q253-C257 VanDerWaalsContact O-CB 3.31Å; Q253-C257 WeakPolarHBondContact O-CB 3.3Å; Q253-C257 PolarHBondContact O-N 3.26Å; S254-C257 PolarHBondContact O-N 3.36Å; T255-C257 VanDerWaalsContact C-N 3.28Å; T255-C257 PolarHBondContact O-N 2.9Å; C257-S261 WeakPolarHBondContact O-CB 3.45Å; C257-S261 PolarHBondContact O-N 3.3Å; C257-S261 PolarHBondContact O-OG 3.17Å |
| 258 | R | 95.1 | Very high | 89 | Confident | 125 Ų | 125 | 53 Ų | 53 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 176.8 | -71.2 | 178.3 | -168.4 | 175.9 | 9.8 | 112 | S254 T255 I256 S261 L262 T263 L264 | S254-R258 VanDerWaalsContact O-CG 3.31Å; S254-R258 WeakPolarHBondContact O-CG 3.48Å; S254-R258 PolarHBondContact O-N 3.35Å; T255-R258 PolarHBondContact O-N 3.02Å; T255-R258 VanDerWaalsContact O-N 3.17Å; I256-R258 PolarHBondContact O-N 3.23Å; R258-S261 WeakPolarHBondContact CA-OG 3.24Å; R258-S261 CarbonylContact O-C 3.55Å; R258-S261 PolarHBondContact O-N 2.99Å; R258-S261 PolarHBondContact O-OG 3.11Å; R258-L262 PolarHBondContact O-N 2.59Å; R258-L262 VanDerWaalsContact O-N 3.09Å; R258-T263 VanDerWaalsContact CA-OG1 3.28Å; R258-T263 WeakPolarHBondContact CA-OG1 3.39Å; R258-T263 WeakPolarHBondContact CB-OG1 3.46Å; R258-T263 PolarHBondContact O-N 2.81Å; R258-T263 PolarHBondContact O-OG1 3.43Å; R258-L264 HydrophobicContact CB-CD1 4.38Å; R258-L264 HydrophobicContact CB-CD2 3.48Å; R258-L264 VanDerWaalsContact CB-CD2 3.48Å; R258-L264 HydrophobicContact CB-CG 3.64Å; R258-L264 HydrophobicContact CG-CD2 4.27Å |
| 259 | F | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -53.8 | 173.5 | -171.4 | -85.1 | 0 | 0 | 0 | 111.5 | F218 A219 T255 I256 S261 L262 L264 M269 L272 L276 | F218-F259 AromaticContact CD1-CE1 3.71Å; F218-F259 HydrophobicContact CD1-CE1 3.71Å; F218-F259 AromaticContact CD1-CZ 3.6Å; F218-F259 HydrophobicContact CD1-CZ 3.6Å; F218-F259 AromaticContact CE1-CE1 3.53Å; F218-F259 HydrophobicContact CE1-CE1 3.53Å; F218-F259 AromaticContact CE1-CZ 3.48Å; F218-F259 HydrophobicContact CE1-CZ 3.48Å; F218-F259 VanDerWaalsContact CE1-CZ 3.48Å; A219-F259 HydrophobicContact CB-CD1 4.32Å; A219-F259 HydrophobicContact CB-CE1 4.02Å; T255-F259 PolarHBondContact O-N 2.93Å; I256-F259 PolarHBondContact O-N 3.41Å; F259-S261 PolarHBondContact O-N 3.45Å; F259-L262 PolarHBondContact O-N 3.43Å; F259-L264 HydrophobicContact CB-CD1 4Å; F259-L264 HydrophobicContact CD2-CD1 4.26Å; F259-M269 HydrophobicContact CB-SD 4.4Å; F259-M269 HydrophobicContact CD1-CE 4.2Å; F259-M269 HydrophobicContact CD2-CE 3.58Å; F259-M269 HydrophobicContact CD2-SD 3.47Å; F259-M269 WeakPolarHBondContact CD2-SD 3.29Å; F259-M269 HydrophobicContact CE1-CE 4.06Å; F259-M269 HydrophobicContact CE2-CE 3.42Å; F259-M269 VanDerWaalsContact CE2-CE 3.42Å; F259-M269 HydrophobicContact CE2-SD 3.83Å; F259-M269 HydrophobicContact CG-CE 3.96Å; F259-M269 HydrophobicContact CG-SD 4.02Å; F259-M269 HydrophobicContact CZ-CE 3.66Å; F259-L272 HydrophobicContact CD2-CB 3.73Å; F259-L272 HydrophobicContact CD2-CD1 3.99Å; F259-L272 HydrophobicContact CE2-CB 3.67Å; F259-L276 HydrophobicContact CB-CD1 4.33Å; F259-L276 HydrophobicContact CD1-CD1 3.5Å; F259-L276 VanDerWaalsContact CD1-CD1 3.5Å; F259-L276 HydrophobicContact CD2-CD1 3.73Å; F259-L276 HydrophobicContact CE1-CD1 3.63Å; F259-L276 HydrophobicContact CE2-CD1 3.84Å; F259-L276 HydrophobicContact CG-CD1 3.56Å; F259-L276 HydrophobicContact CZ-CD1 3.81Å |
| 260 | E | 96.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -6.2 | 178.5 | -69.9 | 177.8 | -170.7 | 0 | 0 | 115.7 | F222 K223 R226 Q233 I256 | F222-E260 HydrophobicContact CD1-CG 4Å; F222-E260 HydrophobicContact CE1-CG 4.24Å; F222-E260 WeakPolarHBondContact CE1-OE1 3.31Å; K223-E260 HydrophobicContact CB-CB 4.34Å; K223-E260 HydrophobicContact CB-CG 3.98Å; K223-E260 HydrophobicContact CD-CB 4.25Å; K223-E260 HydrophobicContact CG-CB 4.4Å; K223-E260 HydrophobicContact CG-CG 4.34Å; R226-E260 IonicContact CZ-OE1 2.71Å; R226-E260 IonicContact CZ-OE2 2.97Å; R226-E260 IonicContact NH1-OE1 3.12Å; R226-E260 PolarHBondContact NH1-OE1 3.13Å; R226-E260 IonicContact NH1-OE2 2.71Å; R226-E260 PolarHBondContact NH1-OE2 3.38Å; Q233-E260 PolarHBondContact NE2-OE2 3.05Å; I256-E260 WeakPolarHBondContact CG2-OE1 3.49Å; I256-E260 WeakPolarHBondContact O-CG 3.49Å; I256-E260 PolarHBondContact O-N 3.05Å |
| 261 | S | 95.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 6.8 | 174.9 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | C257 R258 F259 T263 | C257-S261 WeakPolarHBondContact O-CB 3.45Å; C257-S261 PolarHBondContact O-N 3.3Å; C257-S261 PolarHBondContact O-OG 3.17Å; R258-S261 WeakPolarHBondContact CA-OG 3.24Å; R258-S261 CarbonylContact O-C 3.55Å; R258-S261 PolarHBondContact O-N 2.99Å; R258-S261 PolarHBondContact O-OG 3.11Å; F259-S261 PolarHBondContact O-N 3.45Å; S261-T263 WeakPolarHBondContact O-CG2 3.32Å; S261-T263 PolarHBondContact O-N 2.8Å; S261-T263 PolarHBondContact OG-OG1 3.46Å |
| 262 | L | 94.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 40% | 0.398 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 34.4 | 178.2 | -56.7 | 158.2 | 0 | 0 | 0 | 112.5 | E216 A219 R258 F259 M269 | E216-L262 HydrophobicContact CB-CD1 4.29Å; E216-L262 HydrophobicContact CG-CD1 3.75Å; E216-L262 HydrophobicContact CG-CD2 4.16Å; A219-L262 HydrophobicContact CB-CD2 3.82Å; A219-L262 HydrophobicContact CB-CG 4.41Å; R258-L262 PolarHBondContact O-N 2.59Å; R258-L262 VanDerWaalsContact O-N 3.09Å; F259-L262 PolarHBondContact O-N 3.43Å; L262-M269 HydrophobicContact CD2-CE 3.81Å |
| 263 | T | 93.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | trans | -106.5 | 10.3 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 114 | R258 S261 | R258-T263 VanDerWaalsContact CA-OG1 3.28Å; R258-T263 WeakPolarHBondContact CA-OG1 3.39Å; R258-T263 WeakPolarHBondContact CB-OG1 3.46Å; R258-T263 PolarHBondContact O-N 2.81Å; R258-T263 PolarHBondContact O-OG1 3.43Å; S261-T263 WeakPolarHBondContact O-CG2 3.32Å; S261-T263 PolarHBondContact O-N 2.8Å; S261-T263 PolarHBondContact OG-OG1 3.46Å | ||
| 264 | L | 91.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.1 | 160.9 | 166.3 | -62.1 | 177.4 | 0 | 0 | 0 | 110.3 | T255 R258 F259 N268 M269 L272 | T255-L264 HydrophobicContact CG2-CD1 4.44Å; R258-L264 HydrophobicContact CB-CD1 4.38Å; R258-L264 HydrophobicContact CB-CD2 3.48Å; R258-L264 VanDerWaalsContact CB-CD2 3.48Å; R258-L264 HydrophobicContact CB-CG 3.64Å; R258-L264 HydrophobicContact CG-CD2 4.27Å; F259-L264 HydrophobicContact CB-CD1 4Å; F259-L264 HydrophobicContact CD2-CD1 4.26Å; L264-N268 HydrophobicContact CB-CB 4.2Å; L264-M269 HydrophobicContact CB-CG 3.99Å; L264-M269 HydrophobicContact CB-SD 3.83Å; L264-M269 HydrophobicContact CD1-SD 4.19Å; L264-M269 HydrophobicContact CG-SD 4.36Å; L264-L272 HydrophobicContact CD1-CD1 3.45Å; L264-L272 VanDerWaalsContact CD1-CD1 3.45Å |
| 265 | S | 91.9 | Very high | 92.5 | Very high | 64 Ų | 64 | 47 Ų | 47 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | trans | -63 | 151.1 | 169 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | N267 N268 M269 | S265-N267 VanDerWaalsContact C-N 3.31Å; S265-N267 PolarHBondContact O-N 3.01Å; S265-N268 PolarHBondContact O-N 3.25Å; S265-N268 WeakPolarHBondContact OG-CB 3.44Å; S265-N268 PolarHBondContact OG-ND2 2.83Å; S265-N268 PolarHBondContact OG-OD1 3.09Å; S265-M269 WeakPolarHBondContact O-CG 3.17Å; S265-M269 PolarHBondContact O-N 3.07Å | ||
| 266 | H | 86.9 | Confident | 92.5 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.8 | -44.2 | -179.6 | -174.4 | 72.4 | 0 | 0 | 0 | 112.4 | N268 M269 I270 | H266-N268 VanDerWaalsContact C-N 3.3Å; H266-N268 PolarHBondContact O-N 3.5Å; H266-M269 WeakPolarHBondContact O-CA 3.31Å; H266-M269 WeakPolarHBondContact O-CB 3.4Å; H266-M269 PolarHBondContact O-N 3Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.44Å; H266-I270 PolarHBondContact O-N 3.38Å |
| 267 | N | 88.4 | Confident | 92.4 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.1 | -37.6 | 176.1 | -58.7 | 6.8 | 0 | 0 | 0 | 112.8 | S265 A271 | S265-N267 VanDerWaalsContact C-N 3.31Å; S265-N267 PolarHBondContact O-N 3.01Å; N267-A271 WeakPolarHBondContact O-CB 3.43Å; N267-A271 PolarHBondContact O-N 3.3Å |
| 268 | N | 89.8 | Confident | 92.1 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.9 | -33.5 | 176 | -69.3 | 15.2 | 0 | 0 | 0 | 111.5 | L264 S265 H266 L272 | L264-N268 HydrophobicContact CB-CB 4.2Å; S265-N268 PolarHBondContact O-N 3.25Å; S265-N268 WeakPolarHBondContact OG-CB 3.44Å; S265-N268 PolarHBondContact OG-ND2 2.83Å; S265-N268 PolarHBondContact OG-OD1 3.09Å; H266-N268 VanDerWaalsContact C-N 3.3Å; H266-N268 PolarHBondContact O-N 3.5Å; N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 VanDerWaalsContact O-CG 3.24Å; N268-L272 WeakPolarHBondContact O-CG 3.31Å; N268-L272 PolarHBondContact O-N 2.89Å |
| 269 | M | 93.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 173.4 | -70.9 | -64.7 | -57 | 0 | 0 | 111.1 | L215 A219 F259 L262 L264 S265 H266 L272 K273 | L215-M269 HydrophobicContact CD1-CB 4.26Å; L215-M269 HydrophobicContact CD2-CB 4.07Å; L215-M269 HydrophobicContact CD2-CE 4.36Å; A219-M269 HydrophobicContact CB-CE 4.37Å; F259-M269 HydrophobicContact CB-SD 4.4Å; F259-M269 HydrophobicContact CD1-CE 4.2Å; F259-M269 HydrophobicContact CD2-CE 3.58Å; F259-M269 HydrophobicContact CD2-SD 3.47Å; F259-M269 WeakPolarHBondContact CD2-SD 3.29Å; F259-M269 HydrophobicContact CE1-CE 4.06Å; F259-M269 HydrophobicContact CE2-CE 3.42Å; F259-M269 VanDerWaalsContact CE2-CE 3.42Å; F259-M269 HydrophobicContact CE2-SD 3.83Å; F259-M269 HydrophobicContact CG-CE 3.96Å; F259-M269 HydrophobicContact CG-SD 4.02Å; F259-M269 HydrophobicContact CZ-CE 3.66Å; L262-M269 HydrophobicContact CD2-CE 3.81Å; L264-M269 HydrophobicContact CB-CG 3.99Å; L264-M269 HydrophobicContact CB-SD 3.83Å; L264-M269 HydrophobicContact CD1-SD 4.19Å; L264-M269 HydrophobicContact CG-SD 4.36Å; S265-M269 WeakPolarHBondContact O-CG 3.17Å; S265-M269 PolarHBondContact O-N 3.07Å; H266-M269 WeakPolarHBondContact O-CA 3.31Å; H266-M269 WeakPolarHBondContact O-CB 3.4Å; H266-M269 PolarHBondContact O-N 3Å; M269-L272 PolarHBondContact O-N 3.31Å; M269-K273 WeakPolarHBondContact O-CB 3.28Å; M269-K273 PolarHBondContact O-N 2.93Å |
| 270 | I | 91.4 | Very high | 91.7 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 174.6 | -68.2 | 172.8 | 0 | 0 | 0 | 110.3 | L215 H266 L272 K273 P274 | L215-I270 HydrophobicContact CD1-CG1 3.99Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.44Å; H266-I270 PolarHBondContact O-N 3.38Å; I270-L272 VanDerWaalsContact C-N 3.26Å; I270-L272 PolarHBondContact O-N 3.02Å; I270-K273 WeakPolarHBondContact O-CB 3.42Å; I270-K273 PolarHBondContact O-N 2.68Å; I270-P274 WeakPolarHBondContact O-CD 3.24Å |
| 271 | A | 88.9 | Confident | 91.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -32.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L54 N267 | L54-A271 HydrophobicContact CD1-CB 4.33Å; N267-A271 WeakPolarHBondContact O-CB 3.43Å; N267-A271 PolarHBondContact O-N 3.3Å |
| 272 | L | 91.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -85.4 | -24.3 | 178.4 | -70.5 | 174.5 | 0 | 0 | 0 | 114 | L251 T255 F259 L264 N268 M269 I270 I275 L276 | L251-L272 HydrophobicContact CD1-CD2 3.62Å; L251-L272 HydrophobicContact CD2-CD2 4.06Å; T255-L272 HydrophobicContact CG2-CD1 3.76Å; F259-L272 HydrophobicContact CD2-CB 3.73Å; F259-L272 HydrophobicContact CD2-CD1 3.99Å; F259-L272 HydrophobicContact CE2-CB 3.67Å; L264-L272 HydrophobicContact CD1-CD1 3.45Å; L264-L272 VanDerWaalsContact CD1-CD1 3.45Å; N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 VanDerWaalsContact O-CG 3.24Å; N268-L272 WeakPolarHBondContact O-CG 3.31Å; N268-L272 PolarHBondContact O-N 2.89Å; M269-L272 PolarHBondContact O-N 3.31Å; I270-L272 VanDerWaalsContact C-N 3.26Å; I270-L272 PolarHBondContact O-N 3.02Å; L272-I275 HydrophobicContact CD2-CD1 4.43Å; L272-I275 PolarHBondContact O-N 2.61Å; L272-L276 HydrophobicContact CB-CD1 4.27Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 WeakPolarHBondContact O-CG 3.4Å; L272-L276 PolarHBondContact O-N 3.03Å |
| 273 | K | 92.4 | Very high | 90.8 | Very high | 30 Ų | 30 | 47 Ų | 47 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -51.1 | -54.1 | 179.7 | -173.5 | -173.2 | -179.6 | -171.2 | 0 | 113 | T210 E214 L215 F218 M269 I270 I275 L276 Q277 | T210-K273 HydrophobicContact CG2-CD 4.31Å; E214-K273 IonicContact OE1-NZ 2.68Å; E214-K273 PolarHBondContact OE1-NZ 2.83Å; E214-K273 IonicContact OE2-NZ 3.87Å; E214-K273 PolarHBondContact OE2-NZ 3.45Å; L215-K273 HydrophobicContact CD2-CB 4.14Å; L215-K273 HydrophobicContact CD2-CD 3.86Å; L215-K273 HydrophobicContact CD2-CG 4.25Å; F218-K273 HydrophobicContact CD1-CG 3.93Å; F218-K273 HydrophobicContact CE1-CG 4.16Å; F218-K273 HydrophobicContact CG-CG 4.22Å; M269-K273 WeakPolarHBondContact O-CB 3.28Å; M269-K273 PolarHBondContact O-N 2.93Å; I270-K273 WeakPolarHBondContact O-CB 3.42Å; I270-K273 PolarHBondContact O-N 2.68Å; K273-I275 PolarHBondContact O-N 3.04Å; K273-L276 PolarHBondContact O-N 3.45Å; K273-Q277 VanDerWaalsContact O-CB 3.25Å; K273-Q277 WeakPolarHBondContact O-CB 3.46Å; K273-Q277 PolarHBondContact O-N 3.33Å |
| 274 | P | 89.9 | Confident | 90.6 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 47% | 0.468 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -35.7 | -177.9 | 26.8 | -34.2 | 0 | 0 | 0 | 112.8 | I270 Q277 A278 | I270-P274 WeakPolarHBondContact O-CD 3.24Å; P274-Q277 PolarHBondContact O-N 3.4Å; P274-A278 WeakPolarHBondContact O-CB 3.37Å; P274-A278 PolarHBondContact O-N 2.96Å |
| 275 | I | 90.4 | Very high | 90.3 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 178 | -62.2 | 172.1 | 0 | 0 | 0 | 110.5 | L240 V248 L272 K273 W279 | L240-I275 HydrophobicContact CD1-CG2 4.35Å; L240-I275 HydrophobicContact CD2-CG2 3.58Å; V248-I275 HydrophobicContact CG1-CD1 4.21Å; V248-I275 HydrophobicContact CG1-CG2 3.81Å; V248-I275 HydrophobicContact CG2-CD1 3.86Å; V248-I275 HydrophobicContact CG2-CG1 4.11Å; L272-I275 HydrophobicContact CD2-CD1 4.43Å; L272-I275 PolarHBondContact O-N 2.61Å; K273-I275 PolarHBondContact O-N 3.04Å; I275-W279 PolarHBondContact O-N 2.93Å; I275-W279 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.9 | -30.3 | -179.5 | -64.8 | 179.6 | 0 | 0 | 0 | 112.4 | F218 F222 V236 L240 L251 I256 F259 L272 K273 L280 | F218-L276 HydrophobicContact CE1-CB 4.13Å; F218-L276 HydrophobicContact CZ-CB 4.04Å; F222-L276 HydrophobicContact CD2-CB 4Å; F222-L276 HydrophobicContact CE2-CB 3.7Å; F222-L276 HydrophobicContact CE2-CD2 4.11Å; F222-L276 HydrophobicContact CE2-CG 4.34Å; F222-L276 WeakPolarHBondContact CE2-O 3.28Å; F222-L276 HydrophobicContact CZ-CB 4.28Å; F222-L276 HydrophobicContact CZ-CD1 4.48Å; F222-L276 HydrophobicContact CZ-CD2 3.92Å; F222-L276 HydrophobicContact CZ-CG 4.45Å; V236-L276 HydrophobicContact CG1-CD2 4.15Å; L240-L276 HydrophobicContact CD1-CD2 4.07Å; L251-L276 HydrophobicContact CD1-CD2 4.23Å; I256-L276 HydrophobicContact CD1-CD2 3.74Å; F259-L276 HydrophobicContact CB-CD1 4.33Å; F259-L276 HydrophobicContact CD1-CD1 3.5Å; F259-L276 VanDerWaalsContact CD1-CD1 3.5Å; F259-L276 HydrophobicContact CD2-CD1 3.73Å; F259-L276 HydrophobicContact CE1-CD1 3.63Å; F259-L276 HydrophobicContact CE2-CD1 3.84Å; F259-L276 HydrophobicContact CG-CD1 3.56Å; F259-L276 HydrophobicContact CZ-CD1 3.81Å; L272-L276 HydrophobicContact CB-CD1 4.27Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 WeakPolarHBondContact O-CG 3.4Å; L272-L276 PolarHBondContact O-N 3.03Å; K273-L276 PolarHBondContact O-N 3.45Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 PolarHBondContact O-N 3.08Å |
| 277 | Q | 92.4 | Very high | 89.6 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -51.7 | 170.9 | 178.3 | 94.5 | 12.5 | 0 | 0 | 110.2 | F218 K273 P274 W279 L280 E281 | F218-Q277 HydrophobicContact CE2-CB 4.04Å; F218-Q277 HydrophobicContact CZ-CB 4.13Å; K273-Q277 VanDerWaalsContact O-CB 3.25Å; K273-Q277 WeakPolarHBondContact O-CB 3.46Å; K273-Q277 PolarHBondContact O-N 3.33Å; P274-Q277 PolarHBondContact O-N 3.4Å; Q277-W279 PolarHBondContact O-N 3.33Å; Q277-L280 WeakPolarHBondContact O-CB 3.35Å; Q277-L280 PolarHBondContact O-N 3.08Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.22Å; Q277-E281 PolarHBondContact NE2-OE1 3.18Å; Q277-E281 PolarHBondContact O-N 3.23Å |
| 278 | A | 89.7 | Confident | 89.3 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -44.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | I245 P274 L280 E281 E282 | I245-A278 HydrophobicContact CD1-CB 4.29Å; P274-A278 WeakPolarHBondContact O-CB 3.37Å; P274-A278 PolarHBondContact O-N 2.96Å; A278-L280 VanDerWaalsContact C-N 3.3Å; A278-L280 PolarHBondContact O-N 3.08Å; A278-E281 PolarHBondContact O-N 3.17Å; A278-E282 PolarHBondContact O-N 3.32Å |
| 279 | W | 91.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 173.1 | 174.8 | 91.9 | 0 | 0 | 0 | 112.5 | F222 R226 L229 V231 V236 L240 L243 I275 Q277 A283 | F222-W279 AromaticContact CE2-CE3 3.65Å; F222-W279 HydrophobicContact CE2-CE3 3.65Å; F222-W279 AromaticContact CE2-CZ3 3.94Å; F222-W279 HydrophobicContact CE2-CZ3 3.94Å; F222-W279 HydrophobicContact CZ-CE3 4.06Å; F222-W279 HydrophobicContact CZ-CZ3 4.13Å; R226-W279 HydrophobicContact CG-CH2 4.01Å; R226-W279 HydrophobicContact CG-CZ3 4.25Å; L229-W279 HydrophobicContact CD1-CH2 4.19Å; L229-W279 HydrophobicContact CD1-CZ3 4.48Å; V231-W279 HydrophobicContact CB-CH2 4.27Å; V231-W279 HydrophobicContact CB-CZ2 4.42Å; V231-W279 HydrophobicContact CG1-CH2 4.07Å; V231-W279 HydrophobicContact CG1-CZ2 3.85Å; V231-W279 HydrophobicContact CG2-CH2 4.35Å; V231-W279 HydrophobicContact CG2-CZ2 4.35Å; V236-W279 HydrophobicContact CG1-CD2 4.19Å; V236-W279 HydrophobicContact CG1-CE3 4.43Å; V236-W279 HydrophobicContact CG2-CE3 4.45Å; V236-W279 HydrophobicContact CG2-CH2 3.77Å; V236-W279 HydrophobicContact CG2-CZ2 3.83Å; V236-W279 HydrophobicContact CG2-CZ3 4.07Å; L240-W279 HydrophobicContact CD2-CB 3.75Å; L240-W279 HydrophobicContact CD2-CG 4.26Å; L240-W279 HydrophobicContact CG-CB 4.48Å; L240-W279 HydrophobicContact CG-CG 4.49Å; L243-W279 HydrophobicContact CD1-CB 3.66Å; L243-W279 VanDerWaalsContact CD1-CD1 3.49Å; L243-W279 HydrophobicContact CD1-CG 3.96Å; I275-W279 PolarHBondContact O-N 2.93Å; I275-W279 VanDerWaalsContact O-N 3.16Å; Q277-W279 PolarHBondContact O-N 3.33Å; W279-A283 HydrophobicContact CD2-CB 4.45Å; W279-A283 HydrophobicContact CH2-CB 4Å; W279-A283 HydrophobicContact CZ2-CB 3.88Å; W279-A283 HydrophobicContact CZ3-CB 4.34Å; W279-A283 VanDerWaalsContact O-CB 3.28Å; W279-A283 WeakPolarHBondContact O-CB 3.43Å; W279-A283 PolarHBondContact O-N 3.06Å |
| 280 | L | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | -177.5 | -171.9 | 68.9 | 0 | 0 | 0 | 111.2 | F222 R225 L229 L276 Q277 A278 A283 E284 | F222-L280 HydrophobicContact CD2-CB 4.25Å; F222-L280 HydrophobicContact CD2-CD1 4.3Å; F222-L280 HydrophobicContact CD2-CD2 4.24Å; F222-L280 HydrophobicContact CE2-CB 4.44Å; R225-L280 HydrophobicContact CB-CD1 3.91Å; R225-L280 HydrophobicContact CB-CD2 4.47Å; R225-L280 HydrophobicContact CG-CD1 3.79Å; R225-L280 HydrophobicContact CG-CG 4.45Å; L229-L280 HydrophobicContact CD1-CD1 4.14Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 PolarHBondContact O-N 3.08Å; Q277-L280 WeakPolarHBondContact O-CB 3.35Å; Q277-L280 PolarHBondContact O-N 3.08Å; A278-L280 VanDerWaalsContact C-N 3.3Å; A278-L280 PolarHBondContact O-N 3.08Å; L280-A283 PolarHBondContact O-N 3.47Å; L280-E284 HydrophobicContact CG-CG 4.39Å; L280-E284 WeakPolarHBondContact O-CB 3.47Å; L280-E284 VanDerWaalsContact O-CG 3.27Å; L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 3.31Å |
| 281 | E | 90.3 | Very high | 86.3 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 178.7 | -72.4 | 175.2 | -170.6 | 0 | 0 | 112.1 | Q277 A278 E284 G285 | Q277-E281 WeakPolarHBondContact CG-OE1 3.22Å; Q277-E281 PolarHBondContact NE2-OE1 3.18Å; Q277-E281 PolarHBondContact O-N 3.23Å; A278-E281 PolarHBondContact O-N 3.17Å; E281-E284 PolarHBondContact O-N 3.42Å; E281-G285 PolarHBondContact O-N 3.01Å |
| 282 | E | 87.6 | Confident | 85.1 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 174.2 | -174.4 | 61.1 | -147.6 | 0 | 0 | 111.5 | L243 A278 E284 G285 A286 | L243-E282 HydrophobicContact CD2-CB 4.12Å; L243-E282 HydrophobicContact CD2-CG 3.93Å; A278-E282 PolarHBondContact O-N 3.32Å; E282-E284 VanDerWaalsContact C-N 3.33Å; E282-E284 PolarHBondContact O-N 2.97Å; E282-G285 PolarHBondContact O-N 2.97Å; E282-G285 VanDerWaalsContact O-N 3.13Å; E282-A286 WeakPolarHBondContact O-CB 3.24Å; E282-A286 PolarHBondContact O-N 3.23Å |
| 283 | A | 88.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L229 W279 L280 Q287 | L229-A283 HydrophobicContact CD1-CB 3.92Å; W279-A283 HydrophobicContact CD2-CB 4.45Å; W279-A283 HydrophobicContact CH2-CB 4Å; W279-A283 HydrophobicContact CZ2-CB 3.88Å; W279-A283 HydrophobicContact CZ3-CB 4.34Å; W279-A283 VanDerWaalsContact O-CB 3.28Å; W279-A283 WeakPolarHBondContact O-CB 3.43Å; W279-A283 PolarHBondContact O-N 3.06Å; L280-A283 PolarHBondContact O-N 3.47Å; A283-Q287 WeakPolarHBondContact O-CG 3.47Å; A283-Q287 PolarHBondContact O-N 2.82Å |
| 284 | E | 89.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 170.5 | -71.6 | -156.9 | 78 | 0 | 0 | 112 | R221 R225 L280 E281 E282 R288 | R221-E284 IonicContact NH2-OE2 2.69Å; R221-E284 PolarHBondContact NH2-OE2 2.97Å; R225-E284 HydrophobicContact CG-CG 3.91Å; R225-E284 IonicContact CZ-OE1 3.93Å; R225-E284 VanDerWaalsContact NE-CD 3.26Å; R225-E284 IonicContact NE-OE1 3.68Å; R225-E284 PolarHBondContact NE-OE1 3.49Å; R225-E284 IonicContact NH2-OE1 2.61Å; R225-E284 PolarHBondContact NH2-OE1 3.37Å; L280-E284 HydrophobicContact CG-CG 4.39Å; L280-E284 WeakPolarHBondContact O-CB 3.47Å; L280-E284 VanDerWaalsContact O-CG 3.27Å; L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 3.31Å; E281-E284 PolarHBondContact O-N 3.42Å; E282-E284 VanDerWaalsContact C-N 3.33Å; E282-E284 PolarHBondContact O-N 2.97Å; E284-R288 PolarHBondContact O-N 3.28Å; E284-R288 VanDerWaalsContact O-N 3.07Å |
| 285 | G | 85.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -53 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E281 E282 Q287 R288 E289 | E281-G285 PolarHBondContact O-N 3.01Å; E282-G285 PolarHBondContact O-N 2.97Å; E282-G285 VanDerWaalsContact O-N 3.13Å; G285-Q287 VanDerWaalsContact C-N 3.27Å; G285-Q287 PolarHBondContact O-N 3.03Å; G285-R288 WeakPolarHBondContact O-CA 3.44Å; G285-R288 WeakPolarHBondContact O-CB 3.36Å; G285-R288 PolarHBondContact O-N 3.38Å; G285-E289 PolarHBondContact O-N 3.43Å |
| 286 | A | 84.1 | Confident | 77.1 | Confident | 38 Ų | 38 | 83 Ų | 83 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -33.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E282 K290 | E282-A286 WeakPolarHBondContact O-CB 3.24Å; E282-A286 PolarHBondContact O-N 3.23Å; A286-K290 VanDerWaalsContact O-CG 3.28Å; A286-K290 WeakPolarHBondContact O-CG 3.39Å; A286-K290 PolarHBondContact O-N 3.48Å |
| 287 | Q | 81.2 | Confident | 74.8 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.8 | -33.1 | 173 | -76.1 | -68.7 | -35.4 | 0 | 0 | 113 | L229 A283 G285 K290 L291 | L229-Q287 HydrophobicContact CD2-CB 4.06Å; L229-Q287 HydrophobicContact CD2-CG 3.54Å; A283-Q287 WeakPolarHBondContact O-CG 3.47Å; A283-Q287 PolarHBondContact O-N 2.82Å; G285-Q287 VanDerWaalsContact C-N 3.27Å; G285-Q287 PolarHBondContact O-N 3.03Å; Q287-K290 PolarHBondContact O-N 2.84Å; Q287-L291 PolarHBondContact O-N 3.09Å; Q287-L291 VanDerWaalsContact O-N 3.13Å |
| 288 | R | 81.4 | Confident | 72.3 | Confident | 155 Ų | 155 | 96.7 Ų | 96.7 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 174.4 | -175.4 | 172 | 63.7 | -104.3 | 2.4 | 111.5 | E284 G285 L291 N292 | E284-R288 PolarHBondContact O-N 3.28Å; E284-R288 VanDerWaalsContact O-N 3.07Å; G285-R288 WeakPolarHBondContact O-CA 3.44Å; G285-R288 WeakPolarHBondContact O-CB 3.36Å; G285-R288 PolarHBondContact O-N 3.38Å; R288-L291 PolarHBondContact O-N 2.91Å; R288-N292 VanDerWaalsContact O-CG 3.3Å; R288-N292 PolarHBondContact O-N 3.19Å |
| 289 | E | 77.2 | Confident | 70.1 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -44 | 173.7 | -167.7 | -177.7 | 178.3 | 0 | 0 | 111.8 | G285 L291 N292 K293 | G285-E289 PolarHBondContact O-N 3.43Å; E289-L291 PolarHBondContact O-N 3.37Å; E289-N292 PolarHBondContact O-N 2.96Å; E289-K293 HydrophobicContact CG-CD 4.43Å; E289-K293 PolarHBondContact O-N 3.49Å; E289-K293 VanDerWaalsContact O-N 3.16Å; E289-K293 IonicContact OE1-NZ 2.68Å; E289-K293 PolarHBondContact OE1-NZ 2.9Å |
| 290 | K | 69 | Low | 68 | Low | 145 Ų | 145 | 101.4 Ų | 101.4 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.7 | -30.8 | 176.1 | -75.4 | 173.8 | -178.9 | -173.1 | 0 | 113.9 | A286 Q287 | A286-K290 VanDerWaalsContact O-CG 3.28Å; A286-K290 WeakPolarHBondContact O-CG 3.39Å; A286-K290 PolarHBondContact O-N 3.48Å; Q287-K290 PolarHBondContact O-N 2.84Å |
| 291 | L | 65.1 | Low | 65.5 | Low | 144 Ų | 144 | 111 Ų | 111 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.6 | -27.3 | 174.7 | -172.3 | 62 | 0 | 0 | 0 | 112.5 | Q287 R288 E289 | Q287-L291 PolarHBondContact O-N 3.09Å; Q287-L291 VanDerWaalsContact O-N 3.13Å; R288-L291 PolarHBondContact O-N 2.91Å; E289-L291 PolarHBondContact O-N 3.37Å |
| 292 | N | 64.9 | Low | 63.7 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 64% | 0.642 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -89.1 | -8.8 | -177.4 | -70.8 | -8.8 | 0 | 0 | 0 | 114.1 | R288 E289 | R288-N292 VanDerWaalsContact O-CG 3.3Å; R288-N292 PolarHBondContact O-N 3.19Å; E289-N292 PolarHBondContact O-N 2.96Å |
| 293 | K | 54.7 | Low | 62.2 | Low | 128 Ų | 128 | 118 Ų | 118 | 56% | 0.557 | 62% | 0.623 | S | S | * | * | trans | -121.8 | 89.7 | 173.8 | -73.9 | 175 | 178.7 | 166.2 | 0 | 110.1 | E289 D295 | E289-K293 HydrophobicContact CG-CD 4.43Å; E289-K293 PolarHBondContact O-N 3.49Å; E289-K293 VanDerWaalsContact O-N 3.16Å; E289-K293 IonicContact OE1-NZ 2.68Å; E289-K293 PolarHBondContact OE1-NZ 2.9Å; K293-D295 PolarHBondContact O-N 3.06Å | ||
| 294 | P | 49.2 | Very low | 60.4 | Low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | trans | -81.5 | 55.5 | -178.7 | 36.2 | -36.9 | 0 | 0 | 0 | 111.7 | ||||
| 295 | D | 42.8 | Very low | 58.5 | Low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -78.3 | 125.4 | 171.1 | -91.5 | -50.8 | 0 | 0 | 0 | 110.7 | K293 | K293-D295 PolarHBondContact O-N 3.06Š| ||
| 296 | I | 50.1 | Low | 56.9 | Low | 144 Ų | 144 | 147.2 Ų | 147.2 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -64.9 | 147.8 | -179.1 | -56.5 | 168.3 | 0 | 0 | 0 | 108.3 | ||||
| 297 | Y | 45.2 | Very low | 56 | Low | 214 Ų | 214 | 149.3 Ų | 149.3 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | 82.7 | 91.2 | -176.8 | -58.8 | -86 | 0 | 0 | 0 | 117.7 | ||||
| 298 | S | 38.4 | Very low | 54.9 | Low | 129 Ų | 129 | 150.3 Ų | 150.3 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | -167 | 113.4 | 119.7 | -85.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 299 | G | 43.9 | Very low | 54.5 | Low | 87 Ų | 87 | 145.1 Ų | 145.1 | 90% | 0.897 | 74% | 0.736 | S | S | * | * | trans | -95 | 172.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 300 | G | 48.5 | Very low | 54.6 | Low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | 126.1 | 11.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | K302 | G300-K302 VanDerWaalsContact C-N 3.3Å; G300-K302 PolarHBondContact O-N 3.2Å | ||
| 301 | E | 38.5 | Very low | 55 | Low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 73% | 0.73 | S | S | * | * | trans | -71.8 | 81.6 | 175.7 | -68.5 | -163.7 | 100.2 | 0 | 0 | 112.9 | K303 | E301-K303 VanDerWaalsContact C-N 3.25Å; E301-K303 PolarHBondContact O-N 2.79Å | ||
| 302 | K | 54.2 | Low | 55.7 | Low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -69.1 | 77.3 | 175.2 | -78.8 | 171.4 | 175.9 | 152 | 0 | 111.5 | G300 R304 | G300-K302 VanDerWaalsContact C-N 3.3Å; G300-K302 PolarHBondContact O-N 3.2Å; K302-R304 PolarHBondContact O-N 3.27Å; K302-R304 VanDerWaalsContact O-N 3.14Å | ||
| 303 | K | 55.4 | Low | 56.8 | Low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | trans | -44 | 112.6 | 169.4 | -123.3 | 165.5 | -175.4 | 160 | 0 | 111.2 | E301 K305 | E301-K303 VanDerWaalsContact C-N 3.25Å; E301-K303 PolarHBondContact O-N 2.79Å; K303-K305 PolarHBondContact O-N 3.34Å; K303-K305 VanDerWaalsContact O-N 3.12Å | ||
| 304 | R | 50.8 | Low | 58.4 | Low | 247 Ų | 247 | 131 Ų | 131 | 93% | 0.932 | 69% | 0.692 | S | S | * | * | trans | -67.3 | 109.8 | 169.1 | -74.1 | -177.8 | 178.7 | 162.9 | 0.7 | 108.6 | K302 R306 | K302-R304 PolarHBondContact O-N 3.27Å; K302-R304 VanDerWaalsContact O-N 3.14Å; R304-R306 PolarHBondContact O-N 2.88Å | ||
| 305 | K | 48.9 | Very low | 60.3 | Low | 200 Ų | 200 | 133.7 Ų | 133.7 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | trans | -62.2 | 132.2 | -178.7 | -67.9 | -177 | 178.7 | 180 | 0 | 110.8 | K303 T307 | K303-K305 PolarHBondContact O-N 3.34Å; K303-K305 VanDerWaalsContact O-N 3.12Å; K305-T307 PolarHBondContact O-N 2.93Å | ||
| 306 | R | 51.2 | Low | 62.6 | Low | 239 Ų | 239 | 128.5 Ų | 128.5 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | trans | -61.8 | 129.3 | 169 | -180 | -179.9 | -177.9 | 177.5 | 1.7 | 109 | R304 S308 | R304-R306 PolarHBondContact O-N 2.88Å; R306-S308 PolarHBondContact O-N 3.41Å; R306-S308 VanDerWaalsContact O-N 3.08Å | ||
| 307 | T | 64.8 | Low | 64.7 | Low | 81 Ų | 81 | 121.7 Ų | 121.7 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | trans | -64.9 | 109.6 | 170.5 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | K305 | K305-T307 PolarHBondContact O-N 2.93Š| ||
| 308 | S | 59.8 | Low | 66.9 | Low | 106 Ų | 106 | 114.9 Ų | 114.9 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | trans | -76.2 | 126.7 | 167.2 | -164.2 | 0 | 0 | 0 | 0 | 108.1 | R306 | R306-S308 PolarHBondContact O-N 3.41Å; R306-S308 VanDerWaalsContact O-N 3.08Å | ||
| 309 | I | 72.9 | Confident | 69.5 | Low | 45 Ų | 45 | 111.5 Ų | 111.5 | 23% | 0.231 | 58% | 0.583 | C | S | . | * | trans | -84.6 | 123.5 | 167.3 | -56.6 | 173.9 | 0 | 0 | 0 | 105.3 | E313 K314 L317 L341 V345 | I309-E313 HydrophobicContact CG2-CB 3.82Å; I309-K314 HydrophobicContact CG2-CB 4.33Å; I309-L317 HydrophobicContact CD1-CD1 4.35Å; I309-L317 HydrophobicContact CG2-CD1 4.31Å; I309-L341 HydrophobicContact CG2-CD1 4.2Å; I309-V345 HydrophobicContact CD1-CG1 3.72Å; I309-V345 HydrophobicContact CG1-CG1 3.99Å | ||
| 310 | A | 79 | Confident | 71.8 | Confident | 52 Ų | 52 | 110.2 Ų | 110.2 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | trans | -76.1 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E313 K314 | A310-E313 WeakPolarHBondContact CA-OE2 3.06Å; A310-E313 WeakPolarHBondContact CB-OE2 3.37Å; A310-E313 PolarHBondContact N-OE2 2.86Å; A310-K314 WeakPolarHBondContact O-CB 3.14Å; A310-K314 PolarHBondContact O-N 3.41Å; A310-K314 VanDerWaalsContact O-N 3.13Å | ||
| 311 | A | 76.9 | Confident | 73.9 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R315 | A311-R315 PolarHBondContact O-N 2.86Å; A311-R315 VanDerWaalsContact O-N 3.08Å |
| 312 | P | 79.4 | Confident | 76.4 | Confident | 71 Ų | 71 | 102 Ų | 102 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72 | -35.8 | -177.8 | 26.9 | -31.6 | 0 | 0 | 0 | 113.2 | R315 S316 | P312-R315 PolarHBondContact O-N 3.27Å; P312-S316 WeakPolarHBondContact O-CB 3.36Å; P312-S316 PolarHBondContact O-N 3.37Å; P312-S316 PolarHBondContact O-OG 3.41Å |
| 313 | E | 87.9 | Confident | 78.3 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 22% | 0.224 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.9 | -49.2 | 76.5 | -173.2 | 0 | 0 | 110 | I309 A310 S316 L317 L339 L341 | I309-E313 HydrophobicContact CG2-CB 3.82Å; A310-E313 WeakPolarHBondContact CA-OE2 3.06Å; A310-E313 WeakPolarHBondContact CB-OE2 3.37Å; A310-E313 PolarHBondContact N-OE2 2.86Å; E313-S316 PolarHBondContact O-N 3.22Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 VanDerWaalsContact O-CG 3.28Å; E313-L317 WeakPolarHBondContact O-CG 3.39Å; E313-L317 PolarHBondContact O-N 2.97Å; E313-L339 HydrophobicContact CB-CB 4.45Å; E313-L339 HydrophobicContact CG-CB 4.42Å; E313-L341 HydrophobicContact CB-CD1 4.16Å |
| 314 | K | 88.7 | Confident | 79.8 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 46% | 0.457 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 172.2 | -177.2 | -168.3 | 165.7 | -163.1 | 0 | 111.3 | I309 A310 S316 L317 E318 | I309-K314 HydrophobicContact CG2-CB 4.33Å; A310-K314 WeakPolarHBondContact O-CB 3.14Å; A310-K314 PolarHBondContact O-N 3.41Å; A310-K314 VanDerWaalsContact O-N 3.13Å; K314-S316 VanDerWaalsContact C-N 3.29Å; K314-S316 PolarHBondContact O-N 3.18Å; K314-L317 PolarHBondContact O-N 3.05Å; K314-E318 WeakPolarHBondContact CE-OE1 3.33Å; K314-E318 IonicContact NZ-OE1 2.81Å; K314-E318 WeakPolarHBondContact O-CG 3.46Å; K314-E318 PolarHBondContact O-N 2.81Å |
| 315 | R | 88.8 | Confident | 81.6 | Confident | 178 Ų | 178 | 85 Ų | 85 | 67% | 0.672 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.7 | -40.5 | 177.7 | -175.7 | -177.9 | -69.9 | 120.1 | -5.2 | 111.5 | A311 P312 E318 A319 | A311-R315 PolarHBondContact O-N 2.86Å; A311-R315 VanDerWaalsContact O-N 3.08Å; P312-R315 PolarHBondContact O-N 3.27Å; R315-E318 PolarHBondContact O-N 2.93Å; R315-A319 PolarHBondContact O-N 3.14Å |
| 316 | S | 91.8 | Very high | 83.6 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | P312 E313 K314 E318 A319 Y320 | P312-S316 WeakPolarHBondContact O-CB 3.36Å; P312-S316 PolarHBondContact O-N 3.37Å; P312-S316 PolarHBondContact O-OG 3.41Å; E313-S316 PolarHBondContact O-N 3.22Å; K314-S316 VanDerWaalsContact C-N 3.29Å; K314-S316 PolarHBondContact O-N 3.18Å; S316-E318 VanDerWaalsContact C-N 3.33Å; S316-E318 PolarHBondContact O-N 2.88Å; S316-A319 PolarHBondContact O-N 3.29Å; S316-Y320 WeakPolarHBondContact O-CD2 3.18Å; S316-Y320 PolarHBondContact O-N 3.43Å |
| 317 | L | 93.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 173.7 | -71.8 | 167.5 | 0 | 0 | 0 | 111.8 | I309 E313 K314 Y320 F321 I335 L339 L341 V346 W349 F350 | I309-L317 HydrophobicContact CD1-CD1 4.35Å; I309-L317 HydrophobicContact CG2-CD1 4.31Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 VanDerWaalsContact O-CG 3.28Å; E313-L317 WeakPolarHBondContact O-CG 3.39Å; E313-L317 PolarHBondContact O-N 2.97Å; K314-L317 PolarHBondContact O-N 3.05Å; L317-Y320 PolarHBondContact O-N 2.82Å; L317-F321 VanDerWaalsContact O-CB 3.26Å; L317-F321 WeakPolarHBondContact O-CB 3.26Å; L317-F321 PolarHBondContact O-N 3.3Å; L317-I335 HydrophobicContact CD2-CG2 3.75Å; L317-L339 HydrophobicContact CD2-CD1 3.76Å; L317-L339 HydrophobicContact CG-CD1 3.7Å; L317-L341 HydrophobicContact CD1-CD1 4.02Å; L317-V346 HydrophobicContact CD2-CG1 3.93Å; L317-V346 HydrophobicContact CD2-CG2 4.35Å; L317-W349 HydrophobicContact CB-CD2 3.9Å; L317-W349 HydrophobicContact CB-CE3 3.85Å; L317-W349 HydrophobicContact CB-CH2 3.7Å; L317-W349 HydrophobicContact CB-CZ2 3.69Å; L317-W349 HydrophobicContact CB-CZ3 3.76Å; L317-W349 HydrophobicContact CD1-CD2 3.91Å; L317-W349 HydrophobicContact CD1-CE3 4.42Å; L317-W349 HydrophobicContact CD1-CG 3.91Å; L317-W349 HydrophobicContact CD2-CE3 4.23Å; L317-W349 HydrophobicContact CG-CD2 4.33Å; L317-W349 HydrophobicContact CG-CE3 4.4Å; L317-W349 VanDerWaalsContact O-CH2 3.3Å; L317-W349 WeakPolarHBondContact O-CH2 3.43Å; L317-W349 WeakPolarHBondContact O-CZ3 3.42Å; L317-F350 HydrophobicContact CD2-CE2 3.89Å |
| 318 | E | 92.1 | Very high | 86.9 | Confident | 71 Ų | 71 | 73 Ų | 73 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 174.9 | -70.7 | 175 | 162.9 | 0 | 0 | 111.9 | K314 R315 S316 F321 A322 W349 | K314-E318 WeakPolarHBondContact CE-OE1 3.33Å; K314-E318 IonicContact NZ-OE1 2.81Å; K314-E318 WeakPolarHBondContact O-CG 3.46Å; K314-E318 PolarHBondContact O-N 2.81Å; R315-E318 PolarHBondContact O-N 2.93Å; S316-E318 VanDerWaalsContact C-N 3.33Å; S316-E318 PolarHBondContact O-N 2.88Å; E318-F321 PolarHBondContact O-N 3.31Å; E318-A322 PolarHBondContact O-N 3.05Å; E318-W349 HydrophobicContact CG-CH2 4.01Å; E318-W349 HydrophobicContact CG-CZ2 3.69Å |
| 319 | A | 92.1 | Very high | 88.5 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R315 S316 F321 A322 V323 | R315-A319 PolarHBondContact O-N 3.14Å; S316-A319 PolarHBondContact O-N 3.29Å; A319-F321 VanDerWaalsContact C-N 3.26Å; A319-F321 PolarHBondContact O-N 2.97Å; A319-A322 PolarHBondContact O-N 3.41Å; A319-V323 PolarHBondContact O-N 3.3Å |
| 320 | Y | 92.9 | Very high | 89.5 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -34.2 | 175.6 | -70.6 | -59.4 | 0 | 0 | 0 | 112.6 | S316 L317 V323 Q324 I335 K338 | S316-Y320 WeakPolarHBondContact O-CD2 3.18Å; S316-Y320 PolarHBondContact O-N 3.43Å; L317-Y320 PolarHBondContact O-N 2.82Å; Y320-V323 PolarHBondContact O-N 3.28Å; Y320-Q324 PolarHBondContact O-N 3.26Å; Y320-I335 HydrophobicContact CD1-CD1 4.22Å; Y320-I335 HydrophobicContact CD1-CG1 4.3Å; Y320-I335 HydrophobicContact CD2-CD1 4.13Å; Y320-I335 HydrophobicContact CD2-CG1 3.97Å; Y320-I335 HydrophobicContact CD2-CG2 3.9Å; Y320-I335 HydrophobicContact CE1-CG1 4.47Å; Y320-I335 HydrophobicContact CE2-CG1 4.15Å; Y320-I335 HydrophobicContact CE2-CG2 4.17Å; Y320-I335 HydrophobicContact CG-CD1 3.85Å; Y320-I335 HydrophobicContact CG-CG1 4.08Å; Y320-K338 WeakPolarHBondContact OH-CD 3.29Å; Y320-K338 WeakPolarHBondContact OH-CE 3.27Å; Y320-K338 PolarHBondContact OH-NZ 3.47Å |
| 321 | F | 93.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 79.3 Ų | 79.3 | 5% | 0.048 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.8 | -33.7 | 177.8 | -176.6 | -103.3 | 0 | 0 | 0 | 113.4 | L317 E318 A319 V323 Q324 P325 W349 F350 Q353 R354 Q357 | L317-F321 VanDerWaalsContact O-CB 3.26Å; L317-F321 WeakPolarHBondContact O-CB 3.26Å; L317-F321 PolarHBondContact O-N 3.3Å; E318-F321 PolarHBondContact O-N 3.31Å; A319-F321 VanDerWaalsContact C-N 3.26Å; A319-F321 PolarHBondContact O-N 2.97Å; F321-V323 VanDerWaalsContact C-N 3.32Å; F321-Q324 CarbonylContact O-C 3.42Å; F321-P325 HydrophobicContact CD2-CB 4.24Å; F321-P325 HydrophobicContact CE2-CB 3.84Å; F321-P325 HydrophobicContact CZ-CB 4.18Å; F321-P325 WeakPolarHBondContact O-CD 3.5Å; F321-P325 WeakPolarHBondContact O-CG 3.44Å; F321-W349 HydrophobicContact CB-CH2 3.87Å; F321-W349 HydrophobicContact CB-CZ3 3.85Å; F321-W349 HydrophobicContact CD2-CZ3 4.25Å; F321-W349 HydrophobicContact CG-CH2 4.25Å; F321-W349 HydrophobicContact CG-CZ3 4.21Å; F321-F350 HydrophobicContact CB-CE1 3.99Å; F321-F350 AromaticContact CD2-CD1 3.72Å; F321-F350 HydrophobicContact CD2-CD1 3.72Å; F321-F350 AromaticContact CD2-CE1 3.91Å; F321-F350 HydrophobicContact CD2-CE1 3.91Å; F321-F350 HydrophobicContact CG-CE1 4.47Å; F321-Q353 HydrophobicContact CD1-CG 3.63Å; F321-Q353 HydrophobicContact CD2-CB 4.24Å; F321-Q353 HydrophobicContact CD2-CG 4.06Å; F321-Q353 HydrophobicContact CE1-CB 4.34Å; F321-Q353 HydrophobicContact CE1-CG 3.43Å; F321-Q353 VanDerWaalsContact CE1-CG 3.43Å; F321-Q353 HydrophobicContact CE2-CB 3.95Å; F321-Q353 HydrophobicContact CE2-CG 3.91Å; F321-Q353 HydrophobicContact CG-CG 3.93Å; F321-Q353 HydrophobicContact CZ-CB 4.01Å; F321-Q353 HydrophobicContact CZ-CG 3.59Å; F321-R354 HydrophobicContact CE2-CB 4.37Å; F321-Q357 HydrophobicContact CE1-CG 3.86Å; F321-Q357 VanDerWaalsContact CE1-NE2 3.34Å; F321-Q357 VanDerWaalsContact CZ-CD 3.48Å; F321-Q357 HydrophobicContact CZ-CG 3.98Å |
| 322 | A | 91 | Very high | 91 | Very high | 85 Ų | 85 | 76.7 Ų | 76.7 | 70% | 0.702 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E318 A319 | E318-A322 PolarHBondContact O-N 3.05Å; A319-A322 PolarHBondContact O-N 3.41Å |
| 323 | V | 92.6 | Very high | 91.7 | Very high | 127 Ų | 127 | 75 Ų | 75 | 77% | 0.77 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -75.5 | -47.3 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | A319 Y320 F321 | A319-V323 PolarHBondContact O-N 3.3Å; Y320-V323 PolarHBondContact O-N 3.28Å; F321-V323 VanDerWaalsContact C-N 3.32Å |
| 324 | Q | 87.6 | Confident | 92 | Very high | 85 Ų | 85 | 74.9 Ų | 74.9 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | trans | -142.5 | 97.1 | -176.8 | -165.1 | -179.7 | 22.1 | 0 | 0 | 111.7 | Y320 F321 R326 P327 | Y320-Q324 PolarHBondContact O-N 3.26Å; F321-Q324 CarbonylContact O-C 3.42Å; Q324-R326 PolarHBondContact NE2-O 3.34Å; Q324-R326 PolarHBondContact O-N 2.91Å; Q324-R326 VanDerWaalsContact O-N 3.08Å; Q324-P327 WeakPolarHBondContact O-CD 3.47Å | ||
| 325 | P | 88.1 | Confident | 92.2 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -66 | -10.3 | 178.6 | -23.9 | 33.6 | 0 | 0 | 0 | 115.6 | F321 | F321-P325 HydrophobicContact CD2-CB 4.24Å; F321-P325 HydrophobicContact CE2-CB 3.84Å; F321-P325 HydrophobicContact CZ-CB 4.18Å; F321-P325 WeakPolarHBondContact O-CD 3.5Å; F321-P325 WeakPolarHBondContact O-CG 3.44Å |
| 326 | R | 91.8 | Very high | 92.5 | Very high | 195 Ų | 195 | 62 Ų | 62 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -136.2 | 71.8 | 179.8 | -59.9 | 179.6 | 86.5 | 168.9 | 3.5 | 110 | Q324 | Q324-R326 PolarHBondContact NE2-O 3.34Å; Q324-R326 PolarHBondContact O-N 2.91Å; Q324-R326 VanDerWaalsContact O-N 3.08Å |
| 327 | P | 91.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | trans | -67.6 | 151.8 | 177.5 | 29.8 | -35.3 | 0 | 0 | 0 | 111.8 | Q324 K331 I332 F350 | Q324-P327 WeakPolarHBondContact O-CD 3.47Å; P327-K331 HydrophobicContact CB-CB 4.04Å; P327-K331 HydrophobicContact CB-CG 4.1Å; P327-I332 HydrophobicContact CB-CG1 4.01Å; P327-I332 HydrophobicContact CG-CD1 4.08Å; P327-I332 HydrophobicContact CG-CG1 3.63Å; P327-F350 VanDerWaalsContact CD-CD1 3.41Å; P327-F350 HydrophobicContact CG-CD1 3.56Å; P327-F350 HydrophobicContact CG-CD2 4.15Å; P327-F350 HydrophobicContact CG-CE1 3.61Å; P327-F350 HydrophobicContact CG-CE2 4.2Å; P327-F350 HydrophobicContact CG-CG 3.86Å; P327-F350 HydrophobicContact CG-CZ 3.95Å | ||
| 328 | S | 94.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 75 Ų | 75 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | trans | -69.1 | 164.1 | 175.1 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | E330 K331 I332 | S328-E330 PolarHBondContact O-N 3.42Å; S328-K331 PolarHBondContact O-N 3.18Å; S328-K331 VanDerWaalsContact O-N 3.16Å; S328-K331 WeakPolarHBondContact OG-CB 3.49Å; S328-K331 PolarHBondContact OG-N 3.45Å; S328-K331 VanDerWaalsContact OG-N 3.08Å; S328-I332 WeakPolarHBondContact O-CB 3.42Å; S328-I332 VanDerWaalsContact O-CG1 3.24Å; S328-I332 WeakPolarHBondContact O-CG1 3.24Å; S328-I332 PolarHBondContact O-N 3.43Å | ||
| 329 | S | 92.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.1 | -33.9 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | A333 K343 | S329-A333 PolarHBondContact O-N 3.46Å; S329-K343 WeakPolarHBondContact O-CE 3.36Å; S329-K343 PolarHBondContact O-NZ 2.94Å; S329-K343 PolarHBondContact OG-NZ 3.05Å |
| 330 | E | 94.6 | Very high | 92.4 | Very high | 158 Ų | 158 | 77.4 Ų | 77.4 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.5 | -51.5 | 173.3 | -179.7 | -171.5 | -170 | 0 | 0 | 111.1 | S328 I332 A333 A334 | S328-E330 PolarHBondContact O-N 3.42Å; E330-I332 PolarHBondContact O-N 2.9Å; E330-A333 WeakPolarHBondContact O-CA 3.06Å; E330-A333 VanDerWaalsContact O-CB 3.31Å; E330-A333 WeakPolarHBondContact O-CB 3.47Å; E330-A333 PolarHBondContact O-N 3.4Å; E330-A334 PolarHBondContact O-N 3.14Å |
| 331 | K | 91.8 | Very high | 92.3 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 43% | 0.426 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.5 | -34 | 178.3 | -165.1 | 66.1 | 171.2 | -173.5 | 0 | 112.3 | P327 S328 A333 A334 I335 | P327-K331 HydrophobicContact CB-CB 4.04Å; P327-K331 HydrophobicContact CB-CG 4.1Å; S328-K331 PolarHBondContact O-N 3.18Å; S328-K331 VanDerWaalsContact O-N 3.16Å; S328-K331 WeakPolarHBondContact OG-CB 3.49Å; S328-K331 PolarHBondContact OG-N 3.45Å; S328-K331 VanDerWaalsContact OG-N 3.08Å; K331-A333 VanDerWaalsContact C-N 3.33Å; K331-A334 PolarHBondContact O-N 3.19Å; K331-I335 HydrophobicContact CG-CD1 4.12Å; K331-I335 WeakPolarHBondContact O-CB 3.18Å; K331-I335 WeakPolarHBondContact O-CD1 3.46Å; K331-I335 VanDerWaalsContact O-CG1 3.24Å; K331-I335 WeakPolarHBondContact O-CG1 3.5Å; K331-I335 PolarHBondContact O-N 3.34Å |
| 332 | I | 94.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 82.8 Ų | 82.8 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 172.1 | -68.3 | 168.1 | 0 | 0 | 0 | 111.6 | P327 S328 E330 A336 K343 V346 R347 | P327-I332 HydrophobicContact CB-CG1 4.01Å; P327-I332 HydrophobicContact CG-CD1 4.08Å; P327-I332 HydrophobicContact CG-CG1 3.63Å; S328-I332 WeakPolarHBondContact O-CB 3.42Å; S328-I332 VanDerWaalsContact O-CG1 3.24Å; S328-I332 WeakPolarHBondContact O-CG1 3.24Å; S328-I332 PolarHBondContact O-N 3.43Å; E330-I332 PolarHBondContact O-N 2.9Å; I332-A336 WeakPolarHBondContact O-CB 3.34Å; I332-A336 PolarHBondContact O-N 2.89Å; I332-K343 HydrophobicContact CG2-CG 3.98Å; I332-V346 HydrophobicContact CG2-CB 4.23Å; I332-V346 HydrophobicContact CG2-CG1 4.02Å; I332-R347 HydrophobicContact CD1-CG 4.16Å; I332-R347 HydrophobicContact CG2-CB 4.12Å |
| 333 | A | 94.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 82.7 Ų | 82.7 | 28% | 0.281 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.8 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | S329 E330 K331 I335 A336 E337 K343 | S329-A333 PolarHBondContact O-N 3.46Å; E330-A333 WeakPolarHBondContact O-CA 3.06Å; E330-A333 VanDerWaalsContact O-CB 3.31Å; E330-A333 WeakPolarHBondContact O-CB 3.47Å; E330-A333 PolarHBondContact O-N 3.4Å; K331-A333 VanDerWaalsContact C-N 3.33Å; A333-I335 VanDerWaalsContact C-N 3.33Å; A333-I335 PolarHBondContact O-N 3.03Å; A333-A336 WeakPolarHBondContact O-CB 3.45Å; A333-A336 PolarHBondContact O-N 2.81Å; A333-E337 PolarHBondContact O-N 3.04Å; A333-K343 HydrophobicContact CB-CD 4.08Å |
| 334 | A | 94.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E330 K331 K338 | E330-A334 PolarHBondContact O-N 3.14Å; K331-A334 PolarHBondContact O-N 3.19Å; A334-K338 VanDerWaalsContact O-CB 3.27Å; A334-K338 WeakPolarHBondContact O-CB 3.49Å; A334-K338 PolarHBondContact O-N 2.87Å |
| 335 | I | 93 | Very high | 92.3 | Very high | 6 Ų | 6 | 78.6 Ų | 78.6 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | 173.7 | -67.9 | 165.3 | 0 | 0 | 0 | 111.3 | L317 Y320 K331 A333 L339 V346 F350 | L317-I335 HydrophobicContact CD2-CG2 3.75Å; Y320-I335 HydrophobicContact CD1-CD1 4.22Å; Y320-I335 HydrophobicContact CD1-CG1 4.3Å; Y320-I335 HydrophobicContact CD2-CD1 4.13Å; Y320-I335 HydrophobicContact CD2-CG1 3.97Å; Y320-I335 HydrophobicContact CD2-CG2 3.9Å; Y320-I335 HydrophobicContact CE1-CG1 4.47Å; Y320-I335 HydrophobicContact CE2-CG1 4.15Å; Y320-I335 HydrophobicContact CE2-CG2 4.17Å; Y320-I335 HydrophobicContact CG-CD1 3.85Å; Y320-I335 HydrophobicContact CG-CG1 4.08Å; K331-I335 HydrophobicContact CG-CD1 4.12Å; K331-I335 WeakPolarHBondContact O-CB 3.18Å; K331-I335 WeakPolarHBondContact O-CD1 3.46Å; K331-I335 VanDerWaalsContact O-CG1 3.24Å; K331-I335 WeakPolarHBondContact O-CG1 3.5Å; K331-I335 PolarHBondContact O-N 3.34Å; A333-I335 VanDerWaalsContact C-N 3.33Å; A333-I335 PolarHBondContact O-N 3.03Å; I335-L339 HydrophobicContact CG2-CD1 3.82Å; I335-L339 HydrophobicContact CG2-CG 4.47Å; I335-L339 WeakPolarHBondContact O-CB 3.39Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.21Å; I335-L339 PolarHBondContact O-N 2.97Å; I335-V346 HydrophobicContact CB-CG1 4.28Å; I335-V346 HydrophobicContact CG2-CG1 3.81Å; I335-F350 HydrophobicContact CD1-CE2 4.22Å; I335-F350 HydrophobicContact CD1-CZ 4.08Å |
| 336 | A | 94.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 76.2 Ų | 76.2 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I332 A333 L339 D340 L341 K343 V346 | I332-A336 WeakPolarHBondContact O-CB 3.34Å; I332-A336 PolarHBondContact O-N 2.89Å; A333-A336 WeakPolarHBondContact O-CB 3.45Å; A333-A336 PolarHBondContact O-N 2.81Å; A336-L339 PolarHBondContact O-N 2.71Å; A336-D340 PolarHBondContact O-N 2.97Å; A336-D340 VanDerWaalsContact O-N 3.16Å; A336-L341 CarbonylContact C-O 3.56Å; A336-L341 WeakPolarHBondContact CA-O 3.48Å; A336-L341 VanDerWaalsContact CB-O 3.23Å; A336-L341 WeakPolarHBondContact CB-O 3.49Å; A336-L341 PolarHBondContact O-N 2.71Å; A336-L341 VanDerWaalsContact O-O 3.12Å; A336-K343 HydrophobicContact CB-CB 4.25Å; A336-V346 HydrophobicContact CB-CB 4.43Å; A336-V346 HydrophobicContact CB-CG2 3.86Å |
| 337 | E | 94 | Very high | 92.7 | Very high | 162 Ų | 162 | 71.7 Ų | 71.7 | 76% | 0.757 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.9 | -51.8 | 173.9 | -175.8 | 178 | -174.7 | 0 | 0 | 112.1 | A333 L339 D340 | A333-E337 PolarHBondContact O-N 3.04Å; E337-L339 PolarHBondContact O-N 2.69Å; E337-L339 VanDerWaalsContact O-N 3.09Å; E337-D340 PolarHBondContact O-N 3.44Å; E337-D340 VanDerWaalsContact O-N 3.13Å |
| 338 | K | 91.6 | Very high | 92.8 | Very high | 154 Ų | 154 | 74 Ų | 74 | 67% | 0.67 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.7 | -15.9 | -178.5 | -177 | 165.9 | 173.9 | -172.6 | 0 | 114.8 | Y320 A334 | Y320-K338 WeakPolarHBondContact OH-CD 3.29Å; Y320-K338 WeakPolarHBondContact OH-CE 3.27Å; Y320-K338 PolarHBondContact OH-NZ 3.47Å; A334-K338 VanDerWaalsContact O-CB 3.27Å; A334-K338 WeakPolarHBondContact O-CB 3.49Å; A334-K338 PolarHBondContact O-N 2.87Å |
| 339 | L | 90.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 6.3 | 178.6 | -60.3 | -179.8 | 0 | 0 | 0 | 113.2 | E313 L317 I335 A336 E337 L341 | E313-L339 HydrophobicContact CB-CB 4.45Å; E313-L339 HydrophobicContact CG-CB 4.42Å; L317-L339 HydrophobicContact CD2-CD1 3.76Å; L317-L339 HydrophobicContact CG-CD1 3.7Å; I335-L339 HydrophobicContact CG2-CD1 3.82Å; I335-L339 HydrophobicContact CG2-CG 4.47Å; I335-L339 WeakPolarHBondContact O-CB 3.39Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.21Å; I335-L339 PolarHBondContact O-N 2.97Å; A336-L339 PolarHBondContact O-N 2.71Å; E337-L339 PolarHBondContact O-N 2.69Å; E337-L339 VanDerWaalsContact O-N 3.09Å; L339-L341 HydrophobicContact CB-CD1 4.18Å; L339-L341 HydrophobicContact CB-CG 4.06Å; L339-L341 WeakPolarHBondContact O-CG 3.3Å; L339-L341 PolarHBondContact O-N 3.44Å |
| 340 | D | 91.8 | Very high | 92.9 | Very high | 156 Ų | 156 | 69.2 Ų | 69.2 | 83% | 0.834 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 40.3 | -170.7 | -163.6 | 40.7 | 0 | 0 | 0 | 113.7 | A336 E337 | A336-D340 PolarHBondContact O-N 2.97Å; A336-D340 VanDerWaalsContact O-N 3.16Å; E337-D340 PolarHBondContact O-N 3.44Å; E337-D340 VanDerWaalsContact O-N 3.13Å |
| 341 | L | 90 | Very high | 92.7 | Very high | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | trans | -110.8 | 146.3 | 178.2 | -66 | -177.7 | 0 | 0 | 0 | 110.6 | I309 E313 L317 A336 L339 K343 V346 | I309-L341 HydrophobicContact CG2-CD1 4.2Å; E313-L341 HydrophobicContact CB-CD1 4.16Å; L317-L341 HydrophobicContact CD1-CD1 4.02Å; A336-L341 CarbonylContact C-O 3.56Å; A336-L341 WeakPolarHBondContact CA-O 3.48Å; A336-L341 VanDerWaalsContact CB-O 3.23Å; A336-L341 WeakPolarHBondContact CB-O 3.49Å; A336-L341 PolarHBondContact O-N 2.71Å; A336-L341 VanDerWaalsContact O-O 3.12Å; L339-L341 HydrophobicContact CB-CD1 4.18Å; L339-L341 HydrophobicContact CB-CG 4.06Å; L339-L341 WeakPolarHBondContact O-CG 3.3Å; L339-L341 PolarHBondContact O-N 3.44Å; L341-K343 PolarHBondContact O-N 2.89Å; L341-V346 HydrophobicContact CB-CG2 3.85Å; L341-V346 HydrophobicContact CD1-CG2 4.2Å | ||
| 342 | K | 90.8 | Very high | 92.7 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | trans | -61.6 | 134.3 | 172.5 | -67 | 176 | -178.9 | 175.7 | 0 | 110.4 | N344 V345 V346 | K342-N344 PolarHBondContact O-N 3.43Å; K342-V345 HydrophobicContact CB-CG2 4.1Å; K342-V345 WeakPolarHBondContact O-CA 3.35Å; K342-V345 WeakPolarHBondContact O-CB 3.48Å; K342-V345 PolarHBondContact O-N 3.16Å; K342-V346 PolarHBondContact O-N 3.03Å | ||
| 343 | K | 91.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 64 Ų | 64 | 37% | 0.365 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -46.3 | -34.5 | 175.5 | -169.5 | 177 | -178.5 | 171.2 | 0 | 113.5 | S329 I332 A333 A336 L341 R347 | S329-K343 WeakPolarHBondContact O-CE 3.36Å; S329-K343 PolarHBondContact O-NZ 2.94Å; S329-K343 PolarHBondContact OG-NZ 3.05Å; I332-K343 HydrophobicContact CG2-CG 3.98Å; A333-K343 HydrophobicContact CB-CD 4.08Å; A336-K343 HydrophobicContact CB-CB 4.25Å; L341-K343 PolarHBondContact O-N 2.89Å; K343-R347 WeakPolarHBondContact O-CB 3.43Å; K343-R347 PolarHBondContact O-N 2.83Å; K343-R347 VanDerWaalsContact O-N 3.12Å |
| 344 | N | 90.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 66.4 Ų | 66.4 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.7 | -162.9 | 63.6 | 0 | 0 | 0 | 113.6 | K342 R347 V348 | K342-N344 PolarHBondContact O-N 3.43Å; N344-R347 PolarHBondContact O-N 3.41Å; N344-R347 PolarHBondContact OD1-NH1 2.98Å; N344-V348 WeakPolarHBondContact O-CB 3.25Å; N344-V348 VanDerWaalsContact O-CG2 3.3Å; N344-V348 WeakPolarHBondContact O-CG2 3.45Å; N344-V348 PolarHBondContact O-N 3.4Å |
| 345 | V | 91.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 70 Ų | 70 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 110 | I309 K342 V348 W349 | I309-V345 HydrophobicContact CD1-CG1 3.72Å; I309-V345 HydrophobicContact CG1-CG1 3.99Å; K342-V345 HydrophobicContact CB-CG2 4.1Å; K342-V345 WeakPolarHBondContact O-CA 3.35Å; K342-V345 WeakPolarHBondContact O-CB 3.48Å; K342-V345 PolarHBondContact O-N 3.16Å; V345-V348 PolarHBondContact O-N 3.42Å; V345-W349 WeakPolarHBondContact O-CB 3.26Å; V345-W349 PolarHBondContact O-N 2.61Å |
| 346 | V | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | L317 I332 I335 A336 L341 K342 V348 W349 F350 | L317-V346 HydrophobicContact CD2-CG1 3.93Å; L317-V346 HydrophobicContact CD2-CG2 4.35Å; I332-V346 HydrophobicContact CG2-CB 4.23Å; I332-V346 HydrophobicContact CG2-CG1 4.02Å; I335-V346 HydrophobicContact CB-CG1 4.28Å; I335-V346 HydrophobicContact CG2-CG1 3.81Å; A336-V346 HydrophobicContact CB-CB 4.43Å; A336-V346 HydrophobicContact CB-CG2 3.86Å; L341-V346 HydrophobicContact CB-CG2 3.85Å; L341-V346 HydrophobicContact CD1-CG2 4.2Å; K342-V346 PolarHBondContact O-N 3.03Å; V346-V348 PolarHBondContact O-N 3.47Å; V346-W349 WeakPolarHBondContact O-CB 3.27Å; V346-W349 PolarHBondContact O-N 3.31Å; V346-F350 HydrophobicContact CG1-CD2 3.79Å; V346-F350 HydrophobicContact CG1-CE2 3.78Å; V346-F350 WeakPolarHBondContact O-CD2 3.38Å; V346-F350 PolarHBondContact O-N 2.89Å |
| 347 | R | 94.9 | Very high | 90.9 | Very high | 100 Ų | 100 | 79 Ų | 79 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 178.6 | -164.5 | -173.5 | -26.9 | 95.4 | -1.3 | 112.7 | I332 K343 N344 W349 F350 C351 | I332-R347 HydrophobicContact CD1-CG 4.16Å; I332-R347 HydrophobicContact CG2-CB 4.12Å; K343-R347 WeakPolarHBondContact O-CB 3.43Å; K343-R347 PolarHBondContact O-N 2.83Å; K343-R347 VanDerWaalsContact O-N 3.12Å; N344-R347 PolarHBondContact O-N 3.41Å; N344-R347 PolarHBondContact OD1-NH1 2.98Å; R347-W349 VanDerWaalsContact C-N 3.35Å; R347-F350 PolarHBondContact O-N 2.94Å; R347-C351 PolarHBondContact O-N 3.18Å; R347-C351 VanDerWaalsContact O-N 3.13Å |
| 348 | V | 93.4 | Very high | 90.2 | Very high | 65 Ų | 65 | 77.9 Ų | 77.9 | 39% | 0.394 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 178 | 170 | 0 | 0 | 0 | 0 | 110.7 | N344 V345 V346 F350 C351 N352 | N344-V348 WeakPolarHBondContact O-CB 3.25Å; N344-V348 VanDerWaalsContact O-CG2 3.3Å; N344-V348 WeakPolarHBondContact O-CG2 3.45Å; N344-V348 PolarHBondContact O-N 3.4Å; V345-V348 PolarHBondContact O-N 3.42Å; V346-V348 PolarHBondContact O-N 3.47Å; V348-F350 PolarHBondContact O-N 3.28Å; V348-C351 PolarHBondContact O-N 3.01Å; V348-N352 WeakPolarHBondContact O-CB 3.28Å; V348-N352 VanDerWaalsContact O-CG 3.26Å; V348-N352 PolarHBondContact O-N 3.22Å; V348-N352 PolarHBondContact O-OD1 3.33Å |
| 349 | W | 94.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 176.2 | -175.2 | 100 | 0 | 0 | 0 | 111.9 | L317 E318 F321 V345 V346 R347 C351 N352 Q353 | L317-W349 HydrophobicContact CB-CD2 3.9Å; L317-W349 HydrophobicContact CB-CE3 3.85Å; L317-W349 HydrophobicContact CB-CH2 3.7Å; L317-W349 HydrophobicContact CB-CZ2 3.69Å; L317-W349 HydrophobicContact CB-CZ3 3.76Å; L317-W349 HydrophobicContact CD1-CD2 3.91Å; L317-W349 HydrophobicContact CD1-CE3 4.42Å; L317-W349 HydrophobicContact CD1-CG 3.91Å; L317-W349 HydrophobicContact CD2-CE3 4.23Å; L317-W349 HydrophobicContact CG-CD2 4.33Å; L317-W349 HydrophobicContact CG-CE3 4.4Å; L317-W349 VanDerWaalsContact O-CH2 3.3Å; L317-W349 WeakPolarHBondContact O-CH2 3.43Å; L317-W349 WeakPolarHBondContact O-CZ3 3.42Å; E318-W349 HydrophobicContact CG-CH2 4.01Å; E318-W349 HydrophobicContact CG-CZ2 3.69Å; F321-W349 HydrophobicContact CB-CH2 3.87Å; F321-W349 HydrophobicContact CB-CZ3 3.85Å; F321-W349 HydrophobicContact CD2-CZ3 4.25Å; F321-W349 HydrophobicContact CG-CH2 4.25Å; F321-W349 HydrophobicContact CG-CZ3 4.21Å; V345-W349 WeakPolarHBondContact O-CB 3.26Å; V345-W349 PolarHBondContact O-N 2.61Å; V346-W349 WeakPolarHBondContact O-CB 3.27Å; V346-W349 PolarHBondContact O-N 3.31Å; R347-W349 VanDerWaalsContact C-N 3.35Å; W349-C351 VanDerWaalsContact C-N 3.31Å; W349-C351 PolarHBondContact O-N 3.23Å; W349-N352 PolarHBondContact O-N 2.98Å; W349-Q353 HydrophobicContact CE3-CB 4.38Å; W349-Q353 HydrophobicContact CH2-CB 4.04Å; W349-Q353 HydrophobicContact CH2-CG 3.76Å; W349-Q353 HydrophobicContact CZ2-CB 4.34Å; W349-Q353 HydrophobicContact CZ2-CG 4.13Å; W349-Q353 HydrophobicContact CZ3-CB 4.07Å; W349-Q353 HydrophobicContact CZ3-CG 4.23Å; W349-Q353 WeakPolarHBondContact O-CB 3.12Å; W349-Q353 PolarHBondContact O-N 3.18Å |
| 350 | F | 94.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 177 | -88.7 | -89.5 | 0 | 0 | 0 | 112.9 | L317 F321 P327 I335 V346 R347 V348 R354 | L317-F350 HydrophobicContact CD2-CE2 3.89Å; F321-F350 HydrophobicContact CB-CE1 3.99Å; F321-F350 AromaticContact CD2-CD1 3.72Å; F321-F350 HydrophobicContact CD2-CD1 3.72Å; F321-F350 AromaticContact CD2-CE1 3.91Å; F321-F350 HydrophobicContact CD2-CE1 3.91Å; F321-F350 HydrophobicContact CG-CE1 4.47Å; P327-F350 VanDerWaalsContact CD-CD1 3.41Å; P327-F350 HydrophobicContact CG-CD1 3.56Å; P327-F350 HydrophobicContact CG-CD2 4.15Å; P327-F350 HydrophobicContact CG-CE1 3.61Å; P327-F350 HydrophobicContact CG-CE2 4.2Å; P327-F350 HydrophobicContact CG-CG 3.86Å; P327-F350 HydrophobicContact CG-CZ 3.95Å; I335-F350 HydrophobicContact CD1-CE2 4.22Å; I335-F350 HydrophobicContact CD1-CZ 4.08Å; V346-F350 HydrophobicContact CG1-CD2 3.79Å; V346-F350 HydrophobicContact CG1-CE2 3.78Å; V346-F350 WeakPolarHBondContact O-CD2 3.38Å; V346-F350 PolarHBondContact O-N 2.89Å; R347-F350 PolarHBondContact O-N 2.94Å; V348-F350 PolarHBondContact O-N 3.28Å; F350-R354 WeakPolarHBondContact O-CB 3.5Å; F350-R354 PolarHBondContact O-N 3.13Å; F350-R354 PolarHBondContact O-NH1 3.39Å |
| 351 | C | 90.8 | Very high | 87.3 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 172.5 | -76.4 | 0 | 0 | 0 | 0 | 112.2 | R347 V348 W349 Q353 R354 Q355 | R347-C351 PolarHBondContact O-N 3.18Å; R347-C351 VanDerWaalsContact O-N 3.13Å; V348-C351 PolarHBondContact O-N 3.01Å; W349-C351 VanDerWaalsContact C-N 3.31Å; W349-C351 PolarHBondContact O-N 3.23Å; C351-Q353 PolarHBondContact O-N 2.86Å; C351-R354 PolarHBondContact O-N 3.07Å; C351-R354 PolarHBondContact SG-NH2 3Å; C351-Q355 WeakPolarHBondContact O-CG 3.25Å; C351-Q355 PolarHBondContact O-N 3.47Å |
| 352 | N | 91.6 | Very high | 85.7 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.7 | -68.3 | -2.6 | 0 | 0 | 0 | 111.7 | V348 W349 R354 Q355 K356 | V348-N352 WeakPolarHBondContact O-CB 3.28Å; V348-N352 VanDerWaalsContact O-CG 3.26Å; V348-N352 PolarHBondContact O-N 3.22Å; V348-N352 PolarHBondContact O-OD1 3.33Å; W349-N352 PolarHBondContact O-N 2.98Å; N352-R354 PolarHBondContact O-N 3.24Å; N352-Q355 WeakPolarHBondContact O-CB 3.47Å; N352-Q355 PolarHBondContact O-N 2.72Å; N352-K356 PolarHBondContact O-N 3.13Å |
| 353 | Q | 92.3 | Very high | 84 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 14% | 0.14 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 179.4 | -165.5 | 74.9 | -50.8 | 0 | 0 | 112 | F321 W349 C351 K356 Q357 | F321-Q353 HydrophobicContact CD1-CG 3.63Å; F321-Q353 HydrophobicContact CD2-CB 4.24Å; F321-Q353 HydrophobicContact CD2-CG 4.06Å; F321-Q353 HydrophobicContact CE1-CB 4.34Å; F321-Q353 HydrophobicContact CE1-CG 3.43Å; F321-Q353 VanDerWaalsContact CE1-CG 3.43Å; F321-Q353 HydrophobicContact CE2-CB 3.95Å; F321-Q353 HydrophobicContact CE2-CG 3.91Å; F321-Q353 HydrophobicContact CG-CG 3.93Å; F321-Q353 HydrophobicContact CZ-CB 4.01Å; F321-Q353 HydrophobicContact CZ-CG 3.59Å; W349-Q353 HydrophobicContact CE3-CB 4.38Å; W349-Q353 HydrophobicContact CH2-CB 4.04Å; W349-Q353 HydrophobicContact CH2-CG 3.76Å; W349-Q353 HydrophobicContact CZ2-CB 4.34Å; W349-Q353 HydrophobicContact CZ2-CG 4.13Å; W349-Q353 HydrophobicContact CZ3-CB 4.07Å; W349-Q353 HydrophobicContact CZ3-CG 4.23Å; W349-Q353 WeakPolarHBondContact O-CB 3.12Å; W349-Q353 PolarHBondContact O-N 3.18Å; C351-Q353 PolarHBondContact O-N 2.86Å; Q353-K356 WeakPolarHBondContact O-CB 3.45Å; Q353-K356 PolarHBondContact O-N 2.99Å; Q353-Q357 PolarHBondContact O-N 3.47Å |
| 354 | R | 91.1 | Very high | 82.2 | Confident | 84 Ų | 84 | 85.3 Ų | 85.3 | 32% | 0.317 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 171.6 | -174.3 | 174.5 | 62.3 | -95.9 | -3.3 | 112.6 | F321 F350 C351 N352 Q357 K358 | F321-R354 HydrophobicContact CE2-CB 4.37Å; F350-R354 WeakPolarHBondContact O-CB 3.5Å; F350-R354 PolarHBondContact O-N 3.13Å; F350-R354 PolarHBondContact O-NH1 3.39Å; C351-R354 PolarHBondContact O-N 3.07Å; C351-R354 PolarHBondContact SG-NH2 3Å; N352-R354 PolarHBondContact O-N 3.24Å; R354-Q357 PolarHBondContact O-N 2.86Å; R354-K358 PolarHBondContact O-N 2.96Å |
| 355 | Q | 82.1 | Confident | 80.1 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 172 | -72.3 | 175.8 | 1.6 | 0 | 0 | 111.6 | C351 N352 K358 R359 | C351-Q355 WeakPolarHBondContact O-CG 3.25Å; C351-Q355 PolarHBondContact O-N 3.47Å; N352-Q355 WeakPolarHBondContact O-CB 3.47Å; N352-Q355 PolarHBondContact O-N 2.72Å; Q355-K358 PolarHBondContact O-N 3.19Å; Q355-R359 WeakPolarHBondContact O-CG 3.28Å; Q355-R359 PolarHBondContact O-N 3.16Å |
| 356 | K | 85.1 | Confident | 77.5 | Confident | 117 Ų | 117 | 96 Ų | 96 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 174.3 | -172.6 | -173.4 | 177.4 | -172 | 0 | 111.5 | N352 Q353 K358 R359 L360 | N352-K356 PolarHBondContact O-N 3.13Å; Q353-K356 WeakPolarHBondContact O-CB 3.45Å; Q353-K356 PolarHBondContact O-N 2.99Å; K356-K358 VanDerWaalsContact C-N 3.3Å; K356-K358 PolarHBondContact O-N 3.27Å; K356-R359 PolarHBondContact O-N 2.92Å; K356-L360 HydrophobicContact CG-CD1 4.2Å; K356-L360 WeakPolarHBondContact O-CG 3.43Å; K356-L360 PolarHBondContact O-N 2.94Å; K356-L360 VanDerWaalsContact O-N 3.07Å |
| 357 | Q | 82.5 | Confident | 76.7 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 173.2 | -86.6 | -165.9 | -23.9 | 0 | 0 | 112.5 | F321 Q353 R354 K361 | F321-Q357 HydrophobicContact CE1-CG 3.86Å; F321-Q357 VanDerWaalsContact CE1-NE2 3.34Å; F321-Q357 VanDerWaalsContact CZ-CD 3.48Å; F321-Q357 HydrophobicContact CZ-CG 3.98Å; Q353-Q357 PolarHBondContact O-N 3.47Å; R354-Q357 PolarHBondContact O-N 2.86Å; Q357-K361 WeakPolarHBondContact O-CG 3.49Å; Q357-K361 PolarHBondContact O-N 2.68Å |
| 358 | K | 79.9 | Confident | 75.8 | Confident | 137 Ų | 137 | 100.9 Ų | 100.9 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -50.7 | 177.1 | -168.8 | 177.9 | 179.2 | -175.1 | 0 | 110.4 | R354 Q355 K356 L360 K361 F362 | R354-K358 PolarHBondContact O-N 2.96Å; Q355-K358 PolarHBondContact O-N 3.19Å; K356-K358 VanDerWaalsContact C-N 3.3Å; K356-K358 PolarHBondContact O-N 3.27Å; K358-L360 PolarHBondContact O-N 3.24Å; K358-K361 PolarHBondContact O-N 3.08Å; K358-F362 HydrophobicContact CD-CE2 4.21Å; K358-F362 VanDerWaalsContact CE-CE2 3.46Å; K358-F362 HydrophobicContact CG-CD2 4.01Å; K358-F362 HydrophobicContact CG-CE2 3.62Å; K358-F362 WeakPolarHBondContact O-CD2 2.76Å; K358-F362 PolarHBondContact O-N 2.96Å |
| 359 | R | 74.1 | Confident | 74.8 | Confident | 182 Ų | 182 | 102.9 Ų | 102.9 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.2 | -47.4 | 179.4 | -73.3 | 176.5 | 65.8 | 172.7 | 1.9 | 112.7 | Q355 K356 K361 F362 S363 | Q355-R359 WeakPolarHBondContact O-CG 3.28Å; Q355-R359 PolarHBondContact O-N 3.16Å; K356-R359 PolarHBondContact O-N 2.92Å; R359-K361 VanDerWaalsContact C-N 3.26Å; R359-K361 PolarHBondContact O-N 3.09Å; R359-F362 PolarHBondContact O-N 3.44Å; R359-F362 VanDerWaalsContact O-N 3.16Å; R359-S363 PolarHBondContact O-N 3.03Å; R359-S363 PolarHBondContact O-OG 3.38Å |
| 360 | L | 70.4 | Confident | 73.6 | Confident | 101 Ų | 101 | 107 Ų | 107 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -27.1 | -178.3 | -68.1 | 171.4 | 0 | 0 | 0 | 113.8 | K356 K358 S363 | K356-L360 HydrophobicContact CG-CD1 4.2Å; K356-L360 WeakPolarHBondContact O-CG 3.43Å; K356-L360 PolarHBondContact O-N 2.94Å; K356-L360 VanDerWaalsContact O-N 3.07Å; K358-L360 PolarHBondContact O-N 3.24Å; L360-S363 WeakPolarHBondContact CA-OG 3.17Å; L360-S363 PolarHBondContact O-OG 3.22Å |
| 361 | K | 68.5 | Low | 72.3 | Confident | 156 Ų | 156 | 113.4 Ų | 113.4 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.4 | -27 | 175.8 | -71.1 | -177.7 | 177.8 | -166.7 | 0 | 113.4 | Q357 K358 R359 | Q357-K361 WeakPolarHBondContact O-CG 3.49Å; Q357-K361 PolarHBondContact O-N 2.68Å; K358-K361 PolarHBondContact O-N 3.08Å; R359-K361 VanDerWaalsContact C-N 3.26Å; R359-K361 PolarHBondContact O-N 3.09Å |
| 362 | F | 55.8 | Low | 71.1 | Confident | 147 Ų | 147 | 118.1 Ų | 118.1 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -84.9 | -27.1 | 176.5 | -73.6 | -74.6 | 0 | 0 | 0 | 112.8 | K358 R359 A364 | K358-F362 HydrophobicContact CD-CE2 4.21Å; K358-F362 VanDerWaalsContact CE-CE2 3.46Å; K358-F362 HydrophobicContact CG-CD2 4.01Å; K358-F362 HydrophobicContact CG-CE2 3.62Å; K358-F362 WeakPolarHBondContact O-CD2 2.76Å; K358-F362 PolarHBondContact O-N 2.96Å; R359-F362 PolarHBondContact O-N 3.44Å; R359-F362 VanDerWaalsContact O-N 3.16Å; F362-A364 VanDerWaalsContact C-N 3.28Å; F362-A364 PolarHBondContact O-N 3.4Å |
| 363 | S | 55.5 | Low | 69.6 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 2.9 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 115 | R359 L360 | R359-S363 PolarHBondContact O-N 3.03Å; R359-S363 PolarHBondContact O-OG 3.38Å; L360-S363 WeakPolarHBondContact CA-OG 3.17Å; L360-S363 PolarHBondContact O-OG 3.22Å |
| 364 | A | 53.1 | Low | 67.9 | Low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 10.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | F362 | F362-A364 VanDerWaalsContact C-N 3.28Å; F362-A364 PolarHBondContact O-N 3.4Å |
| 365 | C | 45.6 | Very low | 65.9 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | trans | -124.8 | 21.4 | -176.3 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 366 | H | 38.6 | Very low | 64.5 | Low | 238 Ų | 238 | 131.4 Ų | 131.4 | 100% | 1.102 | 66% | 0.655 | S | S | * | * | trans | -149.7 | 0 | -172.7 | -149.2 | -44.3 | 0 | 0 | 0 | 111.6 |
Retrieved 366 of 366 residues in 238.4 ms
(Link to these results)