| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 57.1 | Low | 240 Ų | 240 | 150.2 Ų | 150.2 | 100% | 1.182 | 82% | 0.815 | S | S | * | * | 0 | 113.7 | 0 | -72.7 | -178.3 | 173.6 | 0 | 0 | 108.4 | |||||
| 2 | A | 42.2 | Very low | 58.9 | Low | 101 Ų | 101 | 142.8 Ų | 142.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -93.6 | 108.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R4 | A2-R4 PolarHBondContact O-N 3.24Š| ||
| 3 | V | 52.3 | Low | 60.2 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -80.5 | 107.3 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 107.5 | S5 | V3-S5 PolarHBondContact O-N 2.81Š| ||
| 4 | R | 52.3 | Low | 60.9 | Low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -72.3 | 105.3 | 171.9 | -77 | 175.5 | 166.7 | 150.8 | -4.2 | 108.6 | A2 N6 | A2-R4 PolarHBondContact O-N 3.24Å; R4-N6 PolarHBondContact O-N 3.39Å | ||
| 5 | S | 52.9 | Low | 61.7 | Low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -67.4 | 97.6 | 174.3 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | V3 S7 | V3-S5 PolarHBondContact O-N 2.81Å; S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | N | 56.2 | Low | 62.4 | Low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -83 | 84.2 | 174.1 | -127.8 | 10.5 | 0 | 0 | 0 | 108.9 | R4 L8 | R4-N6 PolarHBondContact O-N 3.39Å; N6-L8 PolarHBondContact O-N 3.48Å | ||
| 7 | S | 61.7 | Low | 62.8 | Low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | trans | -77.4 | 86.6 | 174.8 | -163.5 | 0 | 0 | 0 | 0 | 109.8 | S5 M9 | S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S7-M9 PolarHBondContact O-N 3.36Å; S7-M9 WeakPolarHBondContact OG-CE 3.35Å | ||
| 8 | L | 67.1 | Low | 62.9 | Low | 150 Ų | 150 | 129.6 Ų | 129.6 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -72.8 | 102.3 | 166.7 | -98.7 | 141.4 | 0 | 0 | 0 | 108.2 | N6 | N6-L8 PolarHBondContact O-N 3.48Š| ||
| 9 | M | 74.1 | Confident | 62.8 | Low | 145 Ų | 145 | 131 Ų | 131 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | trans | -59 | 124.7 | 169.9 | -68.6 | -67.7 | 114.7 | 0 | 0 | 109.2 | S7 F11 | S7-M9 PolarHBondContact O-N 3.36Å; S7-M9 WeakPolarHBondContact OG-CE 3.35Å; M9-F11 PolarHBondContact O-N 3.05Å | ||
| 10 | P | 66.5 | Low | 62.4 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | trans | -66.8 | 134.9 | -179.3 | 26.7 | -33.1 | 0 | 0 | 0 | 110.1 | S12 | P10-S12 PolarHBondContact O-N 3.27Š| ||
| 11 | F | 64 | Low | 62.1 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 77% | 0.768 | 70% | 0.698 | S | S | * | * | trans | -62.1 | 97 | 175.5 | -173.7 | -94.4 | 0 | 0 | 0 | 109.7 | M9 I16 | M9-F11 PolarHBondContact O-N 3.05Å; F11-I16 HydrophobicContact CE1-CD1 3.84Å; F11-I16 HydrophobicContact CE2-CD1 4.32Å; F11-I16 HydrophobicContact CZ-CD1 3.52Å | ||
| 12 | S | 78.3 | Confident | 62.7 | Low | 62 Ų | 62 | 126.8 Ų | 126.8 | 43% | 0.434 | 68% | 0.677 | S | S | . | * | trans | -86.1 | 114.1 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | P10 Q14 A15 | P10-S12 PolarHBondContact O-N 3.27Å; S12-Q14 PolarHBondContact O-N 3.42Å; S12-Q14 PolarHBondContact OG-N 3.4Å; S12-A15 WeakPolarHBondContact O-CB 3.38Å; S12-A15 PolarHBondContact O-N 3.24Å; S12-A15 VanDerWaalsContact O-N 3.13Å | ||
| 13 | I | 75.2 | Confident | 63.1 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 61% | 0.605 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -59.1 | -30.9 | 174.6 | -61.5 | 174.8 | 0 | 0 | 0 | 110.6 | A15 I16 L17 | I13-A15 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 2.83Å; I13-I16 WeakPolarHBondContact O-CB 3.47Å; I13-I16 PolarHBondContact O-N 3.45Å; I13-L17 HydrophobicContact CG2-CD1 4.36Å; I13-L17 PolarHBondContact O-N 3.44Å |
| 14 | Q | 70.6 | Confident | 63.1 | Low | 138 Ų | 138 | 128.5 Ų | 128.5 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.7 | -31.1 | 178.5 | -64 | -156.9 | -0.4 | 0 | 0 | 113.2 | S12 I16 L17 N18 | S12-Q14 PolarHBondContact O-N 3.42Å; S12-Q14 PolarHBondContact OG-N 3.4Å; Q14-I16 PolarHBondContact O-N 3.22Å; Q14-L17 PolarHBondContact O-N 2.94Å; Q14-N18 PolarHBondContact O-N 3.47Å |
| 15 | A | 72.9 | Confident | 63 | Low | 63 Ų | 63 | 125.8 Ų | 125.8 | 52% | 0.521 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.4 | -27.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S12 I13 K19 | S12-A15 WeakPolarHBondContact O-CB 3.38Å; S12-A15 PolarHBondContact O-N 3.24Å; S12-A15 VanDerWaalsContact O-N 3.13Å; I13-A15 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 2.83Å; A15-K19 WeakPolarHBondContact O-CB 3.49Å; A15-K19 PolarHBondContact O-N 3.22Å |
| 16 | I | 72.2 | Confident | 62.6 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 49% | 0.492 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -77.4 | -39 | 176.7 | -59.2 | 172.3 | 0 | 0 | 0 | 110.5 | F11 I13 Q14 | F11-I16 HydrophobicContact CE1-CD1 3.84Å; F11-I16 HydrophobicContact CE2-CD1 4.32Å; F11-I16 HydrophobicContact CZ-CD1 3.52Å; I13-I16 WeakPolarHBondContact O-CB 3.47Å; I13-I16 PolarHBondContact O-N 3.45Å; Q14-I16 PolarHBondContact O-N 3.22Å |
| 17 | L | 70.3 | Confident | 62.3 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 58% | 0.576 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.7 | -42.1 | -179.8 | -65.2 | 175.5 | 0 | 0 | 0 | 111.5 | I13 Q14 K19 K20 | I13-L17 HydrophobicContact CG2-CD1 4.36Å; I13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 PolarHBondContact O-N 2.94Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 2.72Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.29Å; L17-K20 VanDerWaalsContact O-N 3.14Å |
| 18 | N | 64.3 | Low | 61.5 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.2 | -33.7 | 177.2 | -76.2 | -2.6 | 0 | 0 | 0 | 112.7 | Q14 K20 E21 | Q14-N18 PolarHBondContact O-N 3.47Å; N18-K20 PolarHBondContact O-N 3.44Å; N18-E21 PolarHBondContact O-N 3.3Å |
| 19 | K | 60.8 | Low | 60.5 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 68% | 0.683 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -14.5 | 177.2 | -164.8 | 164.4 | 179.1 | 168.7 | 0 | 113.8 | A15 L17 S23 | A15-K19 WeakPolarHBondContact O-CB 3.49Å; A15-K19 PolarHBondContact O-N 3.22Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 2.72Å; K19-S23 PolarHBondContact O-OG 3.09Å |
| 20 | K | 54 | Low | 59.3 | Low | 167 Ų | 167 | 128.4 Ų | 128.4 | 73% | 0.726 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -19.5 | 173.3 | -169.6 | 167.7 | 177.8 | 178 | 0 | 112.8 | L17 N18 | L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.29Å; L17-K20 VanDerWaalsContact O-N 3.14Å; N18-K20 PolarHBondContact O-N 3.44Å |
| 21 | E | 56.6 | Low | 58.3 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 51% | 0.514 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -34.6 | 178.9 | -65.8 | -159.2 | 112.1 | 0 | 0 | 113 | N18 S23 R24 | N18-E21 PolarHBondContact O-N 3.3Å; E21-S23 PolarHBondContact O-N 2.89Å; E21-R24 VanDerWaalsContact CD-NH2 3.33Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 3.73Å; E21-R24 IonicContact OE1-NH2 2.73Å; E21-R24 PolarHBondContact OE1-NH2 3.35Å |
| 22 | D | 52.3 | Low | 57.4 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -67.8 | -18.6 | 178.3 | -68.3 | -34.8 | 0 | 0 | 0 | 113.8 | R24 | D22-R24 PolarHBondContact O-N 2.99Š|
| 23 | S | 50.7 | Low | 55.6 | Low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -80.1 | 2 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | K19 E21 | K19-S23 PolarHBondContact O-OG 3.09Å; E21-S23 PolarHBondContact O-N 2.89Å |
| 24 | R | 51.5 | Low | 54.3 | Low | 173 Ų | 173 | 130.2 Ų | 130.2 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -92.9 | 5.7 | -177.3 | -65.7 | -173.4 | -65.6 | 178.7 | -7.1 | 114.8 | E21 D22 | E21-R24 VanDerWaalsContact CD-NH2 3.33Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 3.73Å; E21-R24 IonicContact OE1-NH2 2.73Å; E21-R24 PolarHBondContact OE1-NH2 3.35Å; D22-R24 PolarHBondContact O-N 2.99Å |
| 25 | H | 50.1 | Low | 53.1 | Low | 182 Ų | 182 | 133.4 Ų | 133.4 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | -119.1 | 45.4 | -178.6 | -115.8 | -58.9 | 0 | 0 | 0 | 113.4 | ||||
| 26 | L | 44.4 | Very low | 52 | Low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -122.3 | 134.1 | 162.3 | -75.1 | 174 | 0 | 0 | 0 | 109.1 | D28 | L26-D28 PolarHBondContact O-N 3.01Š|
| 27 | P | 49.7 | Very low | 51 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -69.4 | 120.3 | -177.7 | 28.5 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 28 | D | 45.2 | Very low | 50.1 | Low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | 30.7 | 89.2 | 140.4 | -149.8 | 15 | 0 | 0 | 0 | 117.8 | L26 | L26-D28 PolarHBondContact O-N 3.01Š| ||
| 29 | L | 47.7 | Very low | 49.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -124.5 | 101.5 | 145.7 | -93.4 | 158.7 | 0 | 0 | 0 | 106.1 | I31 | L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.39Å | ||
| 30 | D | 48.8 | Very low | 48.5 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -50 | 91.1 | 172.9 | -90.5 | -39.8 | 0 | 0 | 0 | 111.5 | ||||
| 31 | I | 45.6 | Very low | 48.4 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | trans | -106.8 | 91.6 | 157.9 | -67.6 | 171.2 | 0 | 0 | 0 | 105.4 | L29 F33 | L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.33Å | ||
| 32 | C | 44.5 | Very low | 47.9 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -51.2 | 90.3 | 170.7 | -73.7 | 0 | 0 | 0 | 0 | 110.7 | S34 | C32-S34 PolarHBondContact O-N 2.91Š| ||
| 33 | F | 41 | Very low | 47.6 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -81.2 | 76.2 | 166.2 | -130.3 | -88.3 | 0 | 0 | 0 | 108.1 | I31 K35 | I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.33Å; F33-K35 PolarHBondContact O-N 3.49Å; F33-K35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | S | 46.3 | Very low | 47 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 50% | 0.497 | 77% | 0.772 | S | S | . | * | trans | -60.1 | 113.7 | 173.1 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | C32 T36 A37 | C32-S34 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact O-N 3.29Å; S34-A37 PolarHBondContact O-N 3.13Å | ||
| 35 | K | 46.9 | Very low | 46.6 | Very low | 205 Ų | 205 | 149.6 Ų | 149.6 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 1.7 | 176.1 | -103 | 175.9 | 175.6 | 177.3 | 0 | 114.8 | F33 | F33-K35 PolarHBondContact O-N 3.49Å; F33-K35 VanDerWaalsContact O-N 3.08Å |
| 36 | T | 48.4 | Very low | 46 | Very low | 119 Ų | 119 | 148 Ų | 148 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -11.3 | -177.1 | 49.1 | 0 | 0 | 0 | 0 | 114 | S34 | S34-T36 PolarHBondContact O-N 3.29Š|
| 37 | A | 52.3 | Low | 45.7 | Very low | 67 Ų | 67 | 146.8 Ų | 146.8 | 55% | 0.554 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -87.3 | -8.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S34 W39 | S34-A37 PolarHBondContact O-N 3.13Å; A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.48Å |
| 38 | C | 49.8 | Very low | 45.1 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -76.4 | -13 | -171.3 | -161.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 39 | W | 44.4 | Very low | 44.5 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -100.8 | -1.5 | -175.3 | -62.4 | 88.7 | 0 | 0 | 0 | 114.3 | A37 | A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.48Å |
| 40 | K | 48.4 | Very low | 44.2 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -101.5 | 25.2 | -167.4 | -140.5 | 169.6 | -174.7 | 168.4 | 0 | 115.4 | ||||
| 41 | I | 50.7 | Low | 43.7 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -114.7 | 10 | -177.6 | -58.5 | -178.2 | 0 | 0 | 0 | 113.1 | ||
| 42 | F | 46.1 | Very low | 43.1 | Very low | 218 Ų | 218 | 147.6 Ų | 147.6 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -136.9 | 82.1 | 168.8 | -105.3 | -86.8 | 0 | 0 | 0 | 110.1 | ||
| 43 | G | 46.3 | Very low | 43.3 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 176.2 | 43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 44 | E | 38.3 | Very low | 43 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -141.9 | 92.1 | 167.5 | -143.3 | 163.9 | 144.2 | 0 | 0 | 106.5 | ||||
| 45 | M | 44.6 | Very low | 42.4 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -98.4 | 109.6 | 166 | -174.3 | 94.5 | 99.1 | 0 | 0 | 104.9 | T47 | M45-T47 PolarHBondContact O-N 2.93Å; M45-T47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | D | 36.6 | Very low | 41.6 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 108.2 | 168.5 | -85.6 | -51.2 | 0 | 0 | 0 | 109.7 | ||||
| 47 | T | 38.4 | Very low | 41.1 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -87.4 | 100.9 | 151.8 | 51.5 | 0 | 0 | 0 | 0 | 106.5 | M45 S49 | M45-T47 PolarHBondContact O-N 2.93Å; M45-T47 VanDerWaalsContact O-N 3.08Å; T47-S49 PolarHBondContact O-N 3.09Å | ||
| 48 | G | 35.9 | Very low | 40.3 | Very low | 79 Ų | 79 | 149.2 Ų | 149.2 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -57.1 | 116.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 49 | S | 32.9 | Very low | 39.5 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -116.2 | 102.1 | 159.8 | 57.1 | 0 | 0 | 0 | 0 | 106.5 | T47 | T47-S49 PolarHBondContact O-N 3.09Š| ||
| 50 | E | 42.2 | Very low | 39.5 | Very low | 179 Ų | 179 | 147 Ų | 147 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -68.2 | 124.2 | 169.9 | -67.6 | -100.3 | 125.4 | 0 | 0 | 109 | ||||
| 51 | D | 38 | Very low | 38.8 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -70.8 | 123.2 | 165.6 | -78.2 | -53.7 | 0 | 0 | 0 | 110.3 | ||||
| 52 | F | 33.6 | Very low | 38.1 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -144.8 | 148 | 147.2 | -90.8 | -77 | 0 | 0 | 0 | 110.8 | ||||
| 53 | P | 47.2 | Very low | 37.5 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -102.5 | 154.6 | -149 | 38.4 | -34.6 | 0 | 0 | 0 | 116.1 | ||||
| 54 | A | 35.4 | Very low | 37.2 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | 39.9 | 119.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 55 | A | 34.2 | Very low | 37.4 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | 81.4 | 110.1 | 131 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 56 | C | 30.2 | Very low | 37.3 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | -146.1 | 141.4 | 124.4 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 57 | R | 37.3 | Very low | 37.8 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -86 | 169.7 | 174.5 | -83.6 | 171.3 | 144.2 | 163.8 | -7.4 | 111.9 | ||||
| 58 | S | 35.8 | Very low | 38.1 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 83.4 | 140.1 | 163 | -55.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 59 | D | 34.1 | Very low | 38.7 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | -159.8 | 163.1 | 25.9 | -141.9 | -87.4 | 0 | 0 | 0 | 109.1 | ||||
| 60 | E | 42.7 | Very low | 39.1 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -59.8 | 154.1 | 178.9 | 41.3 | -111.4 | 64.6 | 0 | 0 | 117.1 | ||||
| 61 | G | 35 | Very low | 39.4 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -178.5 | 103.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 62 | A | 36.1 | Very low | 39.9 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 165.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 63 | C | 33.4 | Very low | 41.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 111.3 | 112.4 | 144.4 | 90.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 64 | M | 38.6 | Very low | 41.5 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | 64.6 | 146.4 | 125.2 | -63.8 | -66.4 | 144.2 | 0 | 0 | 123.7 | |||||
| 65 | A | 42.6 | Very low | 42.7 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 85.5 | 102.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 66 | S | 44 | Very low | 43.3 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | 74.8 | 105.6 | 90.8 | -62 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 67 | D | 46.1 | Very low | 44 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | -169.7 | 130 | 110.1 | -106.3 | -37.4 | 0 | 0 | 0 | 112 | |||||
| 68 | Q | 45.5 | Very low | 44.7 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -95.3 | 103.7 | -176.1 | -161.9 | 156.1 | 34.4 | 0 | 0 | 106.3 | ||||
| 69 | K | 48.3 | Very low | 45.9 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -109.1 | 95.6 | 176.3 | -149.9 | 152.4 | -177.8 | 165.7 | 0 | 110.6 | Y71 | K69-Y71 HydrophobicContact CB-CE2 4.12Å; K69-Y71 HydrophobicContact CD-CE1 4.16Å; K69-Y71 WeakPolarHBondContact CD-OH 3.34Å; K69-Y71 HydrophobicContact CG-CE1 3.74Å; K69-Y71 HydrophobicContact CG-CE2 4.2Å; K69-Y71 WeakPolarHBondContact CG-OH 3.42Å; K69-Y71 WeakPolarHBondContact O-CD2 3.43Å; K69-Y71 WeakPolarHBondContact O-CE2 3.5Å | ||
| 70 | S | 41.2 | Very low | 46.7 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -63.5 | 132.3 | 166.4 | 164.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 71 | Y | 47.9 | Very low | 47.3 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -131.7 | 77 | 165.2 | -45.5 | -83.3 | 0 | 0 | 0 | 107.4 | K69 | K69-Y71 HydrophobicContact CB-CE2 4.12Å; K69-Y71 HydrophobicContact CD-CE1 4.16Å; K69-Y71 WeakPolarHBondContact CD-OH 3.34Å; K69-Y71 HydrophobicContact CG-CE1 3.74Å; K69-Y71 HydrophobicContact CG-CE2 4.2Å; K69-Y71 WeakPolarHBondContact CG-OH 3.42Å; K69-Y71 WeakPolarHBondContact O-CD2 3.43Å; K69-Y71 WeakPolarHBondContact O-CE2 3.5Å | ||
| 72 | D | 50 | Low | 48.3 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -88.4 | 111.3 | 161.9 | -88.2 | -61.1 | 0 | 0 | 0 | 107.7 | ||||
| 73 | S | 61.9 | Low | 49 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -105.8 | 87 | 165.5 | -68.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 74 | D | 52.1 | Low | 49.5 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 126.4 | 159.1 | -178 | 13.7 | 0 | 0 | 0 | 108.2 | G76 | D74-G76 PolarHBondContact OD1-N 2.66Š| ||
| 75 | S | 60.8 | Low | 49.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -143.5 | 77.3 | 166.6 | -66.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 76 | G | 46.1 | Very low | 49.8 | Very low | 54 Ų | 54 | 141.3 Ų | 141.3 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | trans | -76.1 | 159.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114 | D74 | D74-G76 PolarHBondContact OD1-N 2.66Š| ||
| 77 | L | 44.9 | Very low | 49.7 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | 79.3 | 111.2 | 147.1 | -49.9 | -179.3 | 0 | 0 | 0 | 119.3 | ||||
| 78 | S | 52.5 | Low | 49.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | -152.9 | 105.5 | 118.7 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 79 | D | 60 | Low | 48.9 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -84.8 | 174 | 151.1 | -90.4 | -64.6 | 0 | 0 | 0 | 108.9 | ||||
| 80 | D | 51.9 | Low | 48.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 90.4 | 104.1 | 171.4 | -54.6 | -50 | 0 | 0 | 0 | 117.8 | ||||
| 81 | N | 54.2 | Low | 48.3 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | -171.9 | 102.9 | 105.1 | -170.6 | 25.3 | 0 | 0 | 0 | 111.4 | |||||
| 82 | D | 55.7 | Low | 48 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -95.7 | 122.8 | 156.4 | -176.4 | -84.9 | 0 | 0 | 0 | 108.3 | ||||
| 83 | S | 50.5 | Low | 47.6 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -167 | 105.4 | 147.1 | -88.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | K | 45.4 | Very low | 46.5 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | 81.9 | 104 | 111.5 | -159.4 | 168.7 | -173.8 | 177.3 | 0 | 119.6 | |||||
| 85 | R | 43.2 | Very low | 45.7 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 62.1 | 152.9 | 123.1 | -65.7 | -174.7 | -177.8 | -132.2 | -0.9 | 117.8 | |||||
| 86 | L | 44.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 67% | 0.665 | 78% | 0.783 | S | S | * | * | cis | -172.9 | 144.6 | 3.1 | -108.1 | 163.8 | 0 | 0 | 0 | 104.1 | V88 | L86-V88 HydrophobicContact CD2-CG2 3.93Š| ||
| 87 | A | 40.7 | Very low | 45.4 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -142.4 | 106.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 88 | V | 43.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | trans | -99.1 | 145.9 | 169.9 | 157.7 | 0 | 0 | 0 | 0 | 107.4 | L86 | L86-V88 HydrophobicContact CD2-CG2 3.93Š| ||
| 89 | C | 32.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -175.8 | 104.5 | 133.1 | -91.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 90 | K | 40.3 | Very low | 43.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | 63.2 | 114.1 | 84.1 | -88.4 | -168.8 | 174.2 | -179 | 0 | 116.2 | |||||
| 91 | S | 35.3 | Very low | 43.3 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | 173.7 | 110.3 | 118.6 | -103.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 92 | E | 41.9 | Very low | 42.8 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 60.8 | 114.4 | 90 | -67.3 | -165.4 | 121.1 | 0 | 0 | 115.3 | |||||
| 93 | K | 41.3 | Very low | 42.1 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | 158.8 | 117.5 | 108.1 | -168.9 | 164.4 | -177.8 | 174.3 | 0 | 113.9 | |||||
| 94 | N | 38.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -7.8 | 139.3 | 157.1 | -66.5 | -68.1 | 0 | 0 | 0 | 120.7 | ||||
| 95 | R | 36.8 | Very low | 41.7 | Very low | 239 Ų | 239 | 144.9 Ų | 144.9 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | 159 | 125.1 | 107.4 | -83.6 | -174.8 | -177.5 | -170.8 | -1 | 111.8 | |||||
| 96 | D | 48 | Very low | 42 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 157.1 | 150.4 | -57 | -67.4 | 0 | 0 | 0 | 108.8 | ||||
| 97 | P | 52.6 | Low | 41.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -151.9 | 174.9 | 77 | 36.8 | -14.3 | 0 | 0 | 0 | 116.7 | |||||
| 98 | A | 41.3 | Very low | 42 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -72.8 | 163.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 99 | S | 43.4 | Very low | 42.2 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 129.1 | 144.3 | 167.3 | 71.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 100 | D | 37.3 | Very low | 43.1 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -179.7 | 167.3 | -3.8 | -148.7 | -28.5 | 0 | 0 | 0 | 105.3 | ||||
| 101 | V | 43.6 | Very low | 43.4 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 76 | 115.3 | 149.9 | 175 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 102 | L | 43 | Very low | 44.1 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 47.5 | 146.6 | 131.8 | -68.3 | 135.9 | 0 | 0 | 0 | 120 | ||||
| 103 | E | 41.7 | Very low | 44.3 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -170.4 | 148.1 | 38.3 | -151 | -164.8 | -162.5 | 0 | 0 | 111.5 | ||||
| 104 | E | 43.1 | Very low | 44.4 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 20.7 | 129.7 | 144.8 | -157.4 | -175.7 | 135 | 0 | 0 | 123.4 | ||||
| 105 | S | 42.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | -168.3 | 110.6 | 126.8 | -90.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 106 | L | 50 | Low | 44.6 | Very low | 135 Ų | 135 | 135 Ų | 135 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | trans | 81.4 | 112.7 | 132.3 | -56.1 | 174.7 | 0 | 0 | 0 | 121.2 | ||||
| 107 | Q | 38 | Very low | 44.6 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -10.9 | 138.9 | 145.4 | -85.3 | 77 | 15.3 | 0 | 0 | 117.7 | ||||
| 108 | D | 46.5 | Very low | 44.5 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -158.1 | 139.5 | 101.1 | -164.2 | 41.9 | 0 | 0 | 0 | 111.7 | |||||
| 109 | E | 48.5 | Very low | 44.7 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | trans | -85.6 | 148.5 | -179.5 | -59.3 | -95.2 | 111.7 | 0 | 0 | 109.1 | ||||
| 110 | T | 51.5 | Low | 44.7 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -165.9 | 100.2 | 140.8 | 13.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 111 | D | 47.7 | Very low | 44.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -61.2 | 144.9 | 154.6 | -66.8 | -60.6 | 0 | 0 | 0 | 110.3 | ||||
| 112 | H | 50 | Low | 44.6 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -154.3 | 101.3 | 139.1 | -101 | -58.3 | 0 | 0 | 0 | 111.6 | ||||
| 113 | E | 45.8 | Very low | 44.6 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -58.6 | 145.4 | 150.8 | 166.8 | 162.4 | 82.8 | 0 | 0 | 111.8 | ||||
| 114 | S | 43.4 | Very low | 45 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 162.6 | 108.2 | 136.2 | -72 | 0 | 0 | 0 | 0 | 112 | ||||
| 115 | T | 38.5 | Very low | 44.7 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | 79.2 | 120.2 | 102.1 | 67.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 116 | A | 41 | Very low | 44.7 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | 85.2 | 126.4 | 126 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 117 | V | 47.8 | Very low | 44.3 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 73.4 | 121.3 | 138.8 | -62.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 118 | D | 50.6 | Low | 45.1 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 169.9 | 99.9 | 122.8 | -91.3 | -47.1 | 0 | 0 | 0 | 108.2 | |||||
| 119 | N | 45 | Very low | 44.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | 46.3 | 100.4 | 79.4 | -161.4 | 44.7 | 0 | 0 | 0 | 116.6 | |||||
| 120 | A | 43.9 | Very low | 44.6 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | 170.6 | 120.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 121 | K | 41.8 | Very low | 44.3 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | 66 | 127.3 | 127 | -62.3 | -172.3 | -178.2 | -179.5 | 0 | 122.9 | |||||
| 122 | G | 36.6 | Very low | 43.8 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 135.3 | 74.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 123 | L | 42.6 | Very low | 43.8 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | 45.9 | 109 | 89.4 | -73.7 | 165.7 | 0 | 0 | 0 | 115.1 | |||||
| 124 | S | 49.3 | Very low | 43.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 170.7 | 104.1 | 121.6 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 125 | D | 38.7 | Very low | 43.7 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 149.3 | 150.6 | -76.6 | -59.8 | 0 | 0 | 0 | 110.1 | ||||
| 126 | C | 40.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 104.8 | 153 | -89.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 127 | E | 43.4 | Very low | 44.3 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 156.9 | 145.6 | -79.2 | -136.5 | 117 | 0 | 0 | 110.4 | ||||
| 128 | P | 53.5 | Low | 44.3 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -112.1 | 104 | 155.1 | 32.2 | -17.8 | 0 | 0 | 0 | 110.6 | ||||
| 129 | N | 38 | Very low | 44 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -91.7 | 122.3 | 150.8 | -107.1 | -73 | 0 | 0 | 0 | 107.2 | ||||
| 130 | I | 46.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -109.7 | 124.4 | 163.9 | -69.2 | -163.7 | 0 | 0 | 0 | 107.9 | ||||
| 131 | S | 45.3 | Very low | 43.6 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -88.3 | 167.2 | 178.9 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 132 | D | 38.1 | Very low | 43.8 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 94.7 | 108.7 | 150.2 | -59.3 | -31.1 | 0 | 0 | 0 | 119.4 | ||||
| 133 | S | 48.6 | Very low | 44.4 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | -159.5 | 135.2 | 115.6 | -78.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 134 | N | 44.9 | Very low | 44.8 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -56.7 | 145.6 | 178.2 | -62 | -55.8 | 0 | 0 | 0 | 114 | ||||
| 135 | N | 41.9 | Very low | 44.6 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -157.1 | 121.5 | 131.5 | -125.3 | -32.5 | 0 | 0 | 0 | 112.2 | ||||
| 136 | L | 47.3 | Very low | 45.1 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -98.3 | 114.2 | 165.9 | -82.5 | 160.4 | 0 | 0 | 0 | 105.8 | ||||
| 137 | D | 44.6 | Very low | 45.9 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -141.5 | 122.8 | 159.1 | -75.8 | -57.8 | 0 | 0 | 0 | 109.2 | ||||
| 138 | E | 48.8 | Very low | 46.5 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -95 | 128.7 | 179.8 | -151.6 | -75.7 | 123.3 | 0 | 0 | 107.5 | ||||
| 139 | A | 45.2 | Very low | 46.9 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -177.7 | 104.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 140 | S | 46.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 1.6 | 129.8 | 140.8 | -173.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 141 | C | 34 | Very low | 49 | Very low | 116 Ų | 116 | 145 Ų | 145 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | -172.3 | 115.9 | 124 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 142 | D | 45.4 | Very low | 50.4 | Low | 127 Ų | 127 | 150.6 Ų | 150.6 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | trans | -40.2 | 128.9 | 161.6 | -175.9 | -94.5 | 0 | 0 | 0 | 114.1 | ||||
| 143 | K | 49.2 | Very low | 52.3 | Low | 198 Ų | 198 | 153.2 Ų | 153.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -154.6 | 110 | 134 | -77.1 | -142 | 176.5 | -168.9 | 0 | 111.1 | ||||
| 144 | S | 50.5 | Low | 53.8 | Low | 106 Ų | 106 | 159 Ų | 159 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -53.8 | 126.3 | 164.1 | 41.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 145 | S | 44.6 | Very low | 55.7 | Low | 102 Ų | 102 | 157.1 Ų | 157.1 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -151.3 | 83.6 | 151.1 | -165 | 0 | 0 | 0 | 0 | 108.1 | Q147 | S145-Q147 PolarHBondContact O-N 2.77Š| ||
| 146 | D | 49.2 | Very low | 57.9 | Low | 172 Ų | 172 | 161.4 Ų | 161.4 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 74.5 | 169.4 | -114.7 | -35.2 | 0 | 0 | 0 | 108.8 | ||||
| 147 | Q | 58.7 | Low | 59.9 | Low | 143 Ų | 143 | 158.1 Ų | 158.1 | 67% | 0.668 | 81% | 0.81 | S | S | * | * | trans | -85.5 | 123.2 | 162.8 | -78.3 | -87.6 | 14.8 | 0 | 0 | 107.2 | S145 K149 | S145-Q147 PolarHBondContact O-N 2.77Å; Q147-K149 PolarHBondContact O-N 3.49Å | ||
| 148 | P | 56 | Low | 62.3 | Low | 106 Ų | 106 | 155.5 Ų | 155.5 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | trans | -63 | 103.5 | 176.1 | 25.1 | -31.3 | 0 | 0 | 0 | 107.9 | Q150 | P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 2.94Å | ||
| 149 | K | 61.4 | Low | 64.7 | Low | 200 Ų | 200 | 150.3 Ų | 150.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -54.4 | 93.8 | 173.4 | -80.7 | 175 | -179.5 | 170.5 | 0 | 108 | Q147 R151 | Q147-K149 PolarHBondContact O-N 3.49Å; K149-R151 PolarHBondContact O-N 3.03Å | ||
| 150 | Q | 63.7 | Low | 67.2 | Low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -55.6 | 106.7 | 172.1 | -70.9 | -172.1 | -5.7 | 0 | 0 | 106.6 | P148 K152 | P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 2.94Å; Q150-K152 PolarHBondContact O-N 2.96Å | ||
| 151 | R | 66.1 | Low | 69.7 | Low | 239 Ų | 239 | 151.3 Ų | 151.3 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -57.9 | 102.5 | -179.7 | -65.1 | 175 | 86.6 | 178.8 | 6.9 | 106.9 | K149 K153 | K149-R151 PolarHBondContact O-N 3.03Å; R151-K153 PolarHBondContact O-N 3.13Å | ||
| 152 | K | 73.4 | Confident | 72.7 | Confident | 206 Ų | 206 | 149.1 Ų | 149.1 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -54.5 | 110.7 | -179.3 | -66.2 | 178.2 | -178.5 | 179.6 | 0 | 107.7 | Q150 R154 | Q150-K152 PolarHBondContact O-N 2.96Å; K152-R154 PolarHBondContact O-N 3.12Å; K152-R154 VanDerWaalsContact O-N 3.17Å | ||
| 153 | K | 78.6 | Confident | 75.3 | Confident | 204 Ų | 204 | 144.9 Ų | 144.9 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -58.5 | 120.5 | 176.7 | -73.3 | 169.2 | 178.6 | 170.8 | 0 | 107.2 | R151 S155 | R151-K153 PolarHBondContact O-N 3.13Å; K153-S155 PolarHBondContact O-N 3.18Å; K153-S155 VanDerWaalsContact O-N 3.08Å | ||
| 154 | R | 79.3 | Confident | 77.6 | Confident | 246 Ų | 246 | 137.3 Ų | 137.3 | 93% | 0.928 | 71% | 0.705 | S | S | * | * | trans | -61.2 | 115.1 | -179.3 | -149.3 | 173.4 | -165.5 | 178.4 | 3.5 | 108 | K152 | K152-R154 PolarHBondContact O-N 3.12Å; K152-R154 VanDerWaalsContact O-N 3.17Å | ||
| 155 | S | 84.7 | Confident | 79.9 | Confident | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.2 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | K153 | K153-S155 PolarHBondContact O-N 3.18Å; K153-S155 VanDerWaalsContact O-N 3.08Å |
| 156 | R | 89.1 | Confident | 82.5 | Confident | 236 Ų | 236 | 134.9 Ų | 134.9 | 89% | 0.891 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 126 | 177.9 | -62.9 | 178 | 90.2 | 155.7 | 5.3 | 108.2 | ||
| 157 | A | 89.4 | Confident | 84.8 | Confident | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 158 | A | 95.2 | Very high | 86.7 | Confident | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 151.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 159 | F | 97.9 | Very high | 88.8 | Confident | 67 Ų | 67 | 124.1 Ų | 124.1 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -79 | 148.4 | 171.8 | -57.8 | -44.5 | 0 | 0 | 0 | 110.4 | Q163 V164 L191 Q195 W199 | F159-Q163 HydrophobicContact CB-CB 4.28Å; F159-V164 HydrophobicContact CB-CG2 3.99Å; F159-L191 HydrophobicContact CD1-CD1 4.24Å; F159-L191 HydrophobicContact CD1-CD2 3.78Å; F159-L191 HydrophobicContact CE1-CD1 4.23Å; F159-L191 HydrophobicContact CE1-CD2 3.75Å; F159-Q195 HydrophobicContact CE1-CB 4.3Å; F159-Q195 HydrophobicContact CE1-CG 4.34Å; F159-Q195 HydrophobicContact CZ-CB 3.99Å; F159-Q195 HydrophobicContact CZ-CG 4.26Å; F159-W199 AromaticContact CD2-CD1 3.77Å; F159-W199 HydrophobicContact CE2-CB 4.37Å; F159-W199 AromaticContact CE2-CD1 3.71Å; F159-W199 HydrophobicContact CE2-CG 4.4Å |
| 160 | S | 98.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 120.7 Ų | 120.7 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 160.4 | 174.7 | 94 | 0 | 0 | 0 | 0 | 111.1 | A162 Q163 V164 | S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact OG-N 2.99Å; S160-Q163 WeakPolarHBondContact O-CB 3.46Å; S160-Q163 PolarHBondContact O-N 3.25Å; S160-Q163 PolarHBondContact OG-N 3.18Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 2.88Å |
| 161 | H | 98.4 | Very high | 92.2 | Very high | 162 Ų | 162 | 112.2 Ų | 112.2 | 75% | 0.75 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 177.4 | -171.9 | 69.5 | 0 | 0 | 0 | 112.3 | Q163 V164 F165 | H161-Q163 VanDerWaalsContact C-N 3.3Å; H161-Q163 PolarHBondContact O-N 3.37Å; H161-V164 PolarHBondContact O-N 3.02Å; H161-F165 WeakPolarHBondContact O-CB 3.49Å; H161-F165 PolarHBondContact O-N 3.21Å |
| 162 | A | 98.3 | Very high | 93.7 | Very high | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S160 F165 E166 | S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact OG-N 2.99Å; A162-F165 PolarHBondContact O-N 3.25Å; A162-E166 PolarHBondContact O-N 3.47Å |
| 163 | Q | 98.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 103.3 Ų | 103.3 | 17% | 0.173 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.1 | -70.4 | 174.7 | -35.8 | 0 | 0 | 111.3 | F159 S160 H161 F165 L167 L189 | F159-Q163 HydrophobicContact CB-CB 4.28Å; S160-Q163 WeakPolarHBondContact O-CB 3.46Å; S160-Q163 PolarHBondContact O-N 3.25Å; S160-Q163 PolarHBondContact OG-N 3.18Å; H161-Q163 VanDerWaalsContact C-N 3.3Å; H161-Q163 PolarHBondContact O-N 3.37Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.39Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.17Å; Q163-L167 PolarHBondContact O-N 3.49Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; Q163-L189 PolarHBondContact NE2-O 3.48Å |
| 164 | V | 98.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 97.1 Ų | 97.1 | 24% | 0.242 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111 | F159 S160 H161 L167 E168 | F159-V164 HydrophobicContact CB-CG2 3.99Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 2.88Å; H161-V164 PolarHBondContact O-N 3.02Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-E168 HydrophobicContact CG1-CG 4.23Å; V164-E168 WeakPolarHBondContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CG 3.49Å; V164-E168 PolarHBondContact O-N 3.35Å |
| 165 | F | 98.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 91.6 Ų | 91.6 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 179.1 | 175.1 | -96.8 | 0 | 0 | 0 | 112.3 | H161 A162 Q163 L167 E168 R169 | H161-F165 WeakPolarHBondContact O-CB 3.49Å; H161-F165 PolarHBondContact O-N 3.21Å; A162-F165 PolarHBondContact O-N 3.25Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.39Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.87Å; F165-E168 PolarHBondContact O-N 3.34Å; F165-R169 WeakPolarHBondContact O-CB 3.37Å; F165-R169 PolarHBondContact O-N 3.1Å |
| 166 | E | 98.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 93.3 Ų | 93.3 | 16% | 0.159 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.7 | -34.3 | -179.4 | -171.7 | 60.2 | -145.7 | 0 | 0 | 111.7 | A162 R169 R170 L185 L189 | A162-E166 PolarHBondContact O-N 3.47Å; E166-R169 PolarHBondContact O-N 3.5Å; E166-R169 IonicContact OE1-NH1 3.59Å; E166-R169 WeakPolarHBondContact OE2-CD 3.27Å; E166-R169 IonicContact OE2-NH1 3.24Å; E166-R169 PolarHBondContact OE2-NH1 2.84Å; E166-R170 WeakPolarHBondContact O-CB 3.37Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 2.96Å; E166-R170 IonicContact OE1-NE 3.3Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E166-L185 HydrophobicContact CG-CD1 4.34Å; E166-L189 HydrophobicContact CB-CD1 4.37Å; E166-L189 HydrophobicContact CB-CD2 3.78Å; E166-L189 HydrophobicContact CG-CD2 3.93Å |
| 167 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 171.6 | -72.9 | 166.3 | 0 | 0 | 0 | 111.7 | Q163 V164 F165 F171 L185 L189 L191 V196 W199 F200 | Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.17Å; Q163-L167 PolarHBondContact O-N 3.49Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.18Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.87Å; L167-F171 VanDerWaalsContact O-CB 3.29Å; L167-F171 WeakPolarHBondContact O-CB 3.37Å; L167-F171 PolarHBondContact O-N 2.85Å; L167-L185 HydrophobicContact CD2-CD2 4.04Å; L167-L189 HydrophobicContact CD1-CD1 4.48Å; L167-L189 HydrophobicContact CD2-CD1 3.84Å; L167-L189 HydrophobicContact CG-CD1 3.69Å; L167-L191 HydrophobicContact CD1-CD1 4.25Å; L167-V196 HydrophobicContact CD2-CG1 4.26Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.92Å; L167-W199 HydrophobicContact CB-CH2 3.66Å; L167-W199 HydrophobicContact CB-CZ2 3.66Å; L167-W199 HydrophobicContact CB-CZ3 3.78Å; L167-W199 HydrophobicContact CD1-CD2 3.87Å; L167-W199 HydrophobicContact CD1-CE3 4.5Å; L167-W199 HydrophobicContact CD1-CG 3.86Å; L167-W199 HydrophobicContact CD2-CD2 4.36Å; L167-W199 HydrophobicContact CD2-CE3 4.23Å; L167-W199 HydrophobicContact CG-CD2 4.29Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; L167-F200 HydrophobicContact CD2-CE2 3.96Å |
| 168 | E | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 176.5 | -72.7 | -166 | 148.6 | 0 | 0 | 112 | V164 F165 R170 F171 N172 W199 R203 | V164-E168 HydrophobicContact CG1-CG 4.23Å; V164-E168 WeakPolarHBondContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CG 3.49Å; V164-E168 PolarHBondContact O-N 3.35Å; F165-E168 PolarHBondContact O-N 3.34Å; E168-R170 PolarHBondContact O-N 3.44Å; E168-F171 PolarHBondContact O-N 2.9Å; E168-N172 VanDerWaalsContact O-CG 3.24Å; E168-N172 PolarHBondContact O-N 2.94Å; E168-N172 PolarHBondContact O-OD1 3.08Å; E168-W199 HydrophobicContact CB-CH2 4.42Å; E168-W199 HydrophobicContact CG-CH2 3.71Å; E168-W199 HydrophobicContact CG-CZ2 3.71Å; E168-R203 IonicContact OE1-CZ 3.26Å; E168-R203 VanDerWaalsContact OE1-CZ 3.26Å; E168-R203 IonicContact OE1-NH1 2.71Å; E168-R203 PolarHBondContact OE1-NH1 2.89Å; E168-R203 IonicContact OE1-NH2 3.41Å; E168-R203 PolarHBondContact OE1-NH2 3.11Å |
| 169 | R | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 78.4 Ų | 78.4 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.4 | -53 | 174 | -175.8 | -175.8 | 178.2 | -154.1 | 2.5 | 110.3 | F165 E166 F171 N172 H173 | F165-R169 WeakPolarHBondContact O-CB 3.37Å; F165-R169 PolarHBondContact O-N 3.1Å; E166-R169 PolarHBondContact O-N 3.5Å; E166-R169 IonicContact OE1-NH1 3.59Å; E166-R169 WeakPolarHBondContact OE2-CD 3.27Å; E166-R169 IonicContact OE2-NH1 3.24Å; E166-R169 PolarHBondContact OE2-NH1 2.84Å; R169-F171 PolarHBondContact O-N 3.33Å; R169-N172 PolarHBondContact O-N 3.37Å; R169-H173 PolarHBondContact O-N 3.08Å; R169-H173 PolarHBondContact O-ND1 3.5Å |
| 170 | R | 98.4 | Very high | 98.4 | Very high | 129 Ų | 129 | 79.6 Ų | 79.6 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.1 | -70.1 | -71 | 174.6 | 163.3 | 2.7 | 112.4 | E166 E168 N172 H173 Q174 L185 F200 | E166-R170 WeakPolarHBondContact O-CB 3.37Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 2.96Å; E166-R170 IonicContact OE1-NE 3.3Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E168-R170 PolarHBondContact O-N 3.44Å; R170-N172 VanDerWaalsContact C-N 3.3Å; R170-N172 PolarHBondContact O-N 3.18Å; R170-H173 PolarHBondContact O-N 3.41Å; R170-Q174 PolarHBondContact O-N 3.14Å; R170-L185 HydrophobicContact CB-CD2 4.11Å; R170-L185 HydrophobicContact CG-CD1 3.86Å; R170-L185 HydrophobicContact CG-CD2 4.1Å; R170-F200 HydrophobicContact CB-CZ 4.32Å |
| 171 | F | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 1% | 0.013 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 177.9 | -178.3 | -96.1 | 0 | 0 | 0 | 113.7 | L167 E168 R169 H173 Q174 R175 W199 F200 R203 R204 | L167-F171 VanDerWaalsContact O-CB 3.29Å; L167-F171 WeakPolarHBondContact O-CB 3.37Å; L167-F171 PolarHBondContact O-N 2.85Å; E168-F171 PolarHBondContact O-N 2.9Å; R169-F171 PolarHBondContact O-N 3.33Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.71Å; F171-Q174 WeakPolarHBondContact CA-O 3.42Å; F171-Q174 CarbonylContact O-C 3.36Å; F171-Q174 PolarHBondContact O-N 3.27Å; F171-R175 HydrophobicContact CE1-CG 4.23Å; F171-R175 HydrophobicContact CE2-CB 4.08Å; F171-R175 HydrophobicContact CE2-CG 4.07Å; F171-R175 HydrophobicContact CZ-CB 4.31Å; F171-R175 HydrophobicContact CZ-CG 3.84Å; F171-W199 HydrophobicContact CB-CH2 4.33Å; F171-W199 HydrophobicContact CB-CZ3 4.05Å; F171-W199 HydrophobicContact CG-CZ3 4.44Å; F171-F200 HydrophobicContact CB-CE1 4.17Å; F171-F200 HydrophobicContact CB-CZ 4.35Å; F171-F200 AromaticContact CD2-CD1 3.87Å; F171-F200 HydrophobicContact CD2-CD1 3.87Å; F171-F200 AromaticContact CD2-CE1 3.89Å; F171-F200 HydrophobicContact CD2-CE1 3.89Å; F171-R203 HydrophobicContact CD1-CG 3.69Å; F171-R203 HydrophobicContact CD2-CB 4.22Å; F171-R203 HydrophobicContact CD2-CG 3.66Å; F171-R203 HydrophobicContact CE1-CG 3.69Å; F171-R203 HydrophobicContact CE2-CB 4.13Å; F171-R203 HydrophobicContact CE2-CG 3.66Å; F171-R203 HydrophobicContact CG-CG 3.67Å; F171-R203 HydrophobicContact CZ-CB 4.47Å; F171-R203 HydrophobicContact CZ-CG 3.67Å; F171-R204 HydrophobicContact CE2-CG 3.75Å; F171-R204 HydrophobicContact CZ-CG 4.19Å |
| 172 | N | 98.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 75 Ų | 75 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.6 | -33.7 | 178.6 | -69.9 | -14 | 0 | 0 | 0 | 112 | E168 R169 R170 | E168-N172 VanDerWaalsContact O-CG 3.24Å; E168-N172 PolarHBondContact O-N 2.94Å; E168-N172 PolarHBondContact O-OD1 3.08Å; R169-N172 PolarHBondContact O-N 3.37Å; R170-N172 VanDerWaalsContact C-N 3.3Å; R170-N172 PolarHBondContact O-N 3.18Å |
| 173 | H | 98.1 | Very high | 98.4 | Very high | 150 Ų | 150 | 73.2 Ų | 73.2 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.6 | -44 | 174 | -62.6 | 84.7 | 0 | 0 | 0 | 111.3 | R169 R170 F171 | R169-H173 PolarHBondContact O-N 3.08Å; R169-H173 PolarHBondContact O-ND1 3.5Å; R170-H173 PolarHBondContact O-N 3.41Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.71Å |
| 174 | Q | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 76.9 Ų | 76.9 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | trans | -143.6 | 113 | -173.2 | -175.1 | 176.1 | -8.2 | 0 | 0 | 110.9 | R170 F171 Y176 L177 E181 | R170-Q174 PolarHBondContact O-N 3.14Å; F171-Q174 WeakPolarHBondContact CA-O 3.42Å; F171-Q174 CarbonylContact O-C 3.36Å; F171-Q174 PolarHBondContact O-N 3.27Å; Q174-Y176 VanDerWaalsContact C-N 3.26Å; Q174-Y176 WeakPolarHBondContact CG-O 3.49Å; Q174-Y176 PolarHBondContact NE2-O 3.28Å; Q174-Y176 PolarHBondContact O-N 2.91Å; Q174-L177 HydrophobicContact CB-CD2 4.41Å; Q174-L177 HydrophobicContact CG-CD2 4.18Å; Q174-E181 VanDerWaalsContact NE2-CD 3.34Å; Q174-E181 PolarHBondContact NE2-OE1 3.24Å; Q174-E181 VanDerWaalsContact NE2-OE1 3.09Å; Q174-E181 PolarHBondContact NE2-OE2 2.88Å; Q174-E181 PolarHBondContact OE1-OE1 3.45Å | ||
| 175 | R | 97.9 | Very high | 98.4 | Very high | 130 Ų | 130 | 75.4 Ų | 75.4 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -73.6 | -16.2 | -176.6 | -72 | 178.9 | 154 | 82.6 | -2.3 | 113.9 | F171 R204 | F171-R175 HydrophobicContact CE1-CG 4.23Å; F171-R175 HydrophobicContact CE2-CB 4.08Å; F171-R175 HydrophobicContact CE2-CG 4.07Å; F171-R175 HydrophobicContact CZ-CB 4.31Å; F171-R175 HydrophobicContact CZ-CG 3.84Å; R175-R204 WeakPolarHBondContact O-CD 3.38Å |
| 176 | Y | 98.4 | Very high | 98.4 | Very high | 148 Ų | 148 | 69.9 Ų | 69.9 | 58% | 0.58 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -138.4 | 117.9 | -175.2 | -64.1 | -102.5 | 0 | 0 | 0 | 109.9 | Q174 | Q174-Y176 VanDerWaalsContact C-N 3.26Å; Q174-Y176 WeakPolarHBondContact CG-O 3.49Å; Q174-Y176 PolarHBondContact NE2-O 3.28Å; Q174-Y176 PolarHBondContact O-N 2.91Å |
| 177 | L | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | trans | -96.8 | 137.7 | 177 | -60.1 | 179.3 | 0 | 0 | 0 | 111.3 | Q174 E181 R182 L185 V196 F200 | Q174-L177 HydrophobicContact CB-CD2 4.41Å; Q174-L177 HydrophobicContact CG-CD2 4.18Å; L177-E181 HydrophobicContact CB-CB 4.38Å; L177-E181 HydrophobicContact CD2-CB 4.3Å; L177-R182 HydrophobicContact CB-CB 4.49Å; L177-R182 PolarHBondContact O-NH2 2.8Å; L177-L185 HydrophobicContact CD1-CD2 3.74Å; L177-V196 HydrophobicContact CD1-CG1 4.22Å; L177-F200 HydrophobicContact CD1-CD1 4.31Å; L177-F200 HydrophobicContact CD1-CD2 4.14Å; L177-F200 HydrophobicContact CD1-CE1 3.76Å; L177-F200 HydrophobicContact CD1-CE2 3.57Å; L177-F200 HydrophobicContact CD1-CG 4.49Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.28Å; L177-F200 HydrophobicContact CD2-CZ 4.39Å; L177-F200 HydrophobicContact CG-CD1 4.12Å; L177-F200 HydrophobicContact CG-CE1 3.64Å; L177-F200 HydrophobicContact CG-CE2 4.36Å; L177-F200 HydrophobicContact CG-CZ 3.79Å | ||
| 178 | S | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 75.7 Ų | 75.7 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | trans | -67.4 | 174.9 | 166.5 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | E181 R182 | S178-E181 VanDerWaalsContact CB-OE2 3.27Å; S178-E181 WeakPolarHBondContact CB-OE2 3.29Å; S178-E181 PolarHBondContact N-OE2 3.39Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.48Å; S178-E181 PolarHBondContact OG-OE2 2.99Å; S178-R182 VanDerWaalsContact O-CB 3.32Å; S178-R182 WeakPolarHBondContact O-CB 3.39Å; S178-R182 PolarHBondContact O-N 3.37Å | ||
| 179 | G | 98.3 | Very high | 98.4 | Very high | 35 Ų | 35 | 73.6 Ų | 73.6 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.2 | -56.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E181 R182 A183 | G179-E181 PolarHBondContact O-N 3.41Å; G179-R182 WeakPolarHBondContact O-CB 3.19Å; G179-R182 PolarHBondContact O-N 3.42Å; G179-A183 PolarHBondContact O-N 3.31Å; G179-A183 VanDerWaalsContact O-N 3.13Å |
| 180 | P | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 76.7 Ų | 76.7 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.6 | -48 | -178.8 | -25.7 | 35.4 | 0 | 0 | 0 | 113.3 | R182 A183 D184 | P180-R182 PolarHBondContact O-N 2.9Å; P180-R182 VanDerWaalsContact O-N 3.12Å; P180-A183 WeakPolarHBondContact O-CA 3.36Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.22Å; P180-D184 PolarHBondContact O-N 3.44Å |
| 181 | E | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 71.6 Ų | 71.6 | 33% | 0.327 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.1 | -32.1 | 179.1 | -66 | 165.4 | 145.7 | 0 | 0 | 112.4 | Q174 L177 S178 G179 L185 | Q174-E181 VanDerWaalsContact NE2-CD 3.34Å; Q174-E181 PolarHBondContact NE2-OE1 3.24Å; Q174-E181 VanDerWaalsContact NE2-OE1 3.09Å; Q174-E181 PolarHBondContact NE2-OE2 2.88Å; Q174-E181 PolarHBondContact OE1-OE1 3.45Å; L177-E181 HydrophobicContact CB-CB 4.38Å; L177-E181 HydrophobicContact CD2-CB 4.3Å; S178-E181 VanDerWaalsContact CB-OE2 3.27Å; S178-E181 WeakPolarHBondContact CB-OE2 3.29Å; S178-E181 PolarHBondContact N-OE2 3.39Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.48Å; S178-E181 PolarHBondContact OG-OE2 2.99Å; G179-E181 PolarHBondContact O-N 3.41Å; E181-L185 WeakPolarHBondContact O-CB 3.35Å; E181-L185 PolarHBondContact O-N 3.02Å; E181-L185 VanDerWaalsContact O-N 3.13Å |
| 182 | R | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 75.1 Ų | 75.1 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.2 | -40 | 176.1 | -166.5 | -173.2 | -49.6 | 127.8 | 8.2 | 111.6 | L177 S178 G179 P180 D184 L185 A186 E193 V196 | L177-R182 HydrophobicContact CB-CB 4.49Å; L177-R182 PolarHBondContact O-NH2 2.8Å; S178-R182 VanDerWaalsContact O-CB 3.32Å; S178-R182 WeakPolarHBondContact O-CB 3.39Å; S178-R182 PolarHBondContact O-N 3.37Å; G179-R182 WeakPolarHBondContact O-CB 3.19Å; G179-R182 PolarHBondContact O-N 3.42Å; P180-R182 PolarHBondContact O-N 2.9Å; P180-R182 VanDerWaalsContact O-N 3.12Å; R182-D184 VanDerWaalsContact C-N 3.34Å; R182-L185 PolarHBondContact O-N 3.08Å; R182-A186 WeakPolarHBondContact O-CB 3.18Å; R182-A186 PolarHBondContact O-N 3.36Å; R182-E193 WeakPolarHBondContact CD-O 3.32Å; R182-E193 HydrophobicContact CG-CB 4.41Å; R182-V196 HydrophobicContact CG-CB 3.85Å; R182-V196 HydrophobicContact CG-CG1 3.71Å |
| 183 | A | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 74.4 Ų | 74.4 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G179 P180 L185 A186 A187 E193 | G179-A183 PolarHBondContact O-N 3.31Å; G179-A183 VanDerWaalsContact O-N 3.13Å; P180-A183 WeakPolarHBondContact O-CA 3.36Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.22Å; A183-L185 PolarHBondContact O-N 2.97Å; A183-A186 WeakPolarHBondContact O-CB 3.12Å; A183-A186 PolarHBondContact O-N 2.92Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.46Å; A183-E193 HydrophobicContact CB-CG 4.27Å |
| 184 | D | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 71.5 Ų | 71.5 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 177.9 | -63.2 | -22.6 | 0 | 0 | 0 | 111.9 | P180 R182 A186 A187 S188 | P180-D184 PolarHBondContact O-N 3.44Å; R182-D184 VanDerWaalsContact C-N 3.34Å; D184-A186 VanDerWaalsContact C-N 3.35Å; D184-A186 PolarHBondContact O-N 3.05Å; D184-A187 PolarHBondContact O-N 3.45Å; D184-S188 PolarHBondContact O-N 3.29Å |
| 185 | L | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 178.5 | -173.1 | 57.6 | 0 | 0 | 0 | 111.6 | E166 L167 R170 L177 E181 R182 A183 S188 L189 V196 F200 | E166-L185 HydrophobicContact CG-CD1 4.34Å; L167-L185 HydrophobicContact CD2-CD2 4.04Å; R170-L185 HydrophobicContact CB-CD2 4.11Å; R170-L185 HydrophobicContact CG-CD1 3.86Å; R170-L185 HydrophobicContact CG-CD2 4.1Å; L177-L185 HydrophobicContact CD1-CD2 3.74Å; E181-L185 WeakPolarHBondContact O-CB 3.35Å; E181-L185 PolarHBondContact O-N 3.02Å; E181-L185 VanDerWaalsContact O-N 3.13Å; R182-L185 PolarHBondContact O-N 3.08Å; A183-L185 PolarHBondContact O-N 2.97Å; L185-S188 PolarHBondContact O-N 3.4Å; L185-S188 PolarHBondContact O-OG 3.37Å; L185-L189 HydrophobicContact CD1-CD1 3.8Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.07Å; L185-L189 VanDerWaalsContact O-N 3.09Å; L185-V196 HydrophobicContact CD2-CG1 4.06Å; L185-F200 HydrophobicContact CD2-CE2 3.93Å; L185-F200 HydrophobicContact CD2-CZ 4.21Å |
| 186 | A | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 65 Ų | 65 | 5% | 0.05 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R182 A183 D184 L189 K190 L191 E193 V196 | R182-A186 WeakPolarHBondContact O-CB 3.18Å; R182-A186 PolarHBondContact O-N 3.36Å; A183-A186 WeakPolarHBondContact O-CB 3.12Å; A183-A186 PolarHBondContact O-N 2.92Å; D184-A186 VanDerWaalsContact C-N 3.35Å; D184-A186 PolarHBondContact O-N 3.05Å; A186-L189 PolarHBondContact O-N 3.02Å; A186-K190 PolarHBondContact O-N 3.42Å; A186-L191 CarbonylContact C-O 3.53Å; A186-L191 WeakPolarHBondContact CB-O 3.35Å; A186-L191 PolarHBondContact O-N 3.33Å; A186-E193 HydrophobicContact CB-CG 4.19Å; A186-V196 HydrophobicContact CB-CG2 4Å |
| 187 | A | 98.5 | Very high | 98.4 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A183 D184 L189 K190 | A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.46Å; D184-A187 PolarHBondContact O-N 3.45Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 3.38Å; A187-K190 PolarHBondContact O-N 3Å |
| 188 | S | 98.2 | Very high | 98.4 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.8 | -35.4 | -179.6 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | D184 L185 | D184-S188 PolarHBondContact O-N 3.29Å; L185-S188 PolarHBondContact O-N 3.4Å; L185-S188 PolarHBondContact O-OG 3.37Å |
| 189 | L | 97.9 | Very high | 98.4 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -95.4 | -0.7 | -176.8 | -61.5 | -177.7 | 0 | 0 | 0 | 114.2 | Q163 E166 L167 L185 A186 A187 L191 | Q163-L189 PolarHBondContact NE2-O 3.48Å; E166-L189 HydrophobicContact CB-CD1 4.37Å; E166-L189 HydrophobicContact CB-CD2 3.78Å; E166-L189 HydrophobicContact CG-CD2 3.93Å; L167-L189 HydrophobicContact CD1-CD1 4.48Å; L167-L189 HydrophobicContact CD2-CD1 3.84Å; L167-L189 HydrophobicContact CG-CD1 3.69Å; L185-L189 HydrophobicContact CD1-CD1 3.8Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.07Å; L185-L189 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 3.02Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 3.38Å; L189-L191 HydrophobicContact CB-CD1 4.15Å; L189-L191 HydrophobicContact CB-CG 4.1Å; L189-L191 PolarHBondContact O-N 2.89Å |
| 190 | K | 98.3 | Very high | 98.4 | Very high | 194 Ų | 194 | 63.7 Ų | 63.7 | 84% | 0.843 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.8 | -174 | -54.7 | 177.5 | -178.8 | 175.7 | 0 | 111.8 | A186 A187 | A186-K190 PolarHBondContact O-N 3.42Å; A187-K190 PolarHBondContact O-N 3Å |
| 191 | L | 98.1 | Very high | 98.5 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | trans | -115 | 166.6 | 175.5 | -64.7 | -179.7 | 0 | 0 | 0 | 109.6 | F159 L167 A186 L189 Q195 V196 | F159-L191 HydrophobicContact CD1-CD1 4.24Å; F159-L191 HydrophobicContact CD1-CD2 3.78Å; F159-L191 HydrophobicContact CE1-CD1 4.23Å; F159-L191 HydrophobicContact CE1-CD2 3.75Å; L167-L191 HydrophobicContact CD1-CD1 4.25Å; A186-L191 CarbonylContact C-O 3.53Å; A186-L191 WeakPolarHBondContact CB-O 3.35Å; A186-L191 PolarHBondContact O-N 3.33Å; L189-L191 HydrophobicContact CB-CD1 4.15Å; L189-L191 HydrophobicContact CB-CG 4.1Å; L189-L191 PolarHBondContact O-N 2.89Å; L191-Q195 HydrophobicContact CB-CB 4.42Å; L191-V196 HydrophobicContact CB-CG2 4.28Å | ||
| 192 | T | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | trans | -84.8 | 151.1 | 170.4 | 70.5 | 0 | 0 | 0 | 0 | 111 | T194 Q195 V196 | T192-T194 PolarHBondContact O-N 3.29Å; T192-T194 VanDerWaalsContact O-N 3.14Å; T192-Q195 WeakPolarHBondContact O-CB 3.44Å; T192-Q195 PolarHBondContact O-N 3.05Å; T192-Q195 VanDerWaalsContact OG1-CG 3.32Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 2.94Å; T192-Q195 PolarHBondContact OG1-OE1 2.89Å; T192-V196 PolarHBondContact O-N 3.28Å; T192-V196 VanDerWaalsContact O-N 3.08Å | ||
| 193 | E | 98.5 | Very high | 98.4 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -52.4 | -37.6 | 173.2 | -74.1 | -176.9 | -132.9 | 0 | 0 | 112.1 | R182 A183 A186 V196 K197 | R182-E193 WeakPolarHBondContact CD-O 3.32Å; R182-E193 HydrophobicContact CG-CB 4.41Å; A183-E193 HydrophobicContact CB-CG 4.27Å; A186-E193 HydrophobicContact CB-CG 4.19Å; E193-V196 PolarHBondContact O-N 3.4Å; E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3.05Å |
| 194 | T | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.9 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | T192 K197 I198 | T192-T194 PolarHBondContact O-N 3.29Å; T192-T194 VanDerWaalsContact O-N 3.14Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.96Å; T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.41Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.35Å; T194-I198 PolarHBondContact O-N 3.43Å |
| 195 | Q | 98.3 | Very high | 98.4 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.6 | -75.5 | 170.2 | -32.6 | 0 | 0 | 111.2 | F159 L191 T192 I198 W199 | F159-Q195 HydrophobicContact CE1-CB 4.3Å; F159-Q195 HydrophobicContact CE1-CG 4.34Å; F159-Q195 HydrophobicContact CZ-CB 3.99Å; F159-Q195 HydrophobicContact CZ-CG 4.26Å; L191-Q195 HydrophobicContact CB-CB 4.42Å; T192-Q195 WeakPolarHBondContact O-CB 3.44Å; T192-Q195 PolarHBondContact O-N 3.05Å; T192-Q195 VanDerWaalsContact OG1-CG 3.32Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 2.94Å; T192-Q195 PolarHBondContact OG1-OE1 2.89Å; Q195-I198 PolarHBondContact O-N 3.26Å; Q195-W199 WeakPolarHBondContact O-CB 3.45Å; Q195-W199 PolarHBondContact O-N 3.17Å |
| 196 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L167 L177 R182 L185 A186 L191 T192 E193 I198 W199 F200 | L167-V196 HydrophobicContact CD2-CG1 4.26Å; L177-V196 HydrophobicContact CD1-CG1 4.22Å; R182-V196 HydrophobicContact CG-CB 3.85Å; R182-V196 HydrophobicContact CG-CG1 3.71Å; L185-V196 HydrophobicContact CD2-CG1 4.06Å; A186-V196 HydrophobicContact CB-CG2 4Å; L191-V196 HydrophobicContact CB-CG2 4.28Å; T192-V196 PolarHBondContact O-N 3.28Å; T192-V196 VanDerWaalsContact O-N 3.08Å; E193-V196 PolarHBondContact O-N 3.4Å; V196-I198 PolarHBondContact O-N 3Å; V196-W199 PolarHBondContact O-N 2.97Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 WeakPolarHBondContact O-CD2 3.46Å; V196-F200 PolarHBondContact O-N 2.93Å |
| 197 | K | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 74.4 Ų | 74.4 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.9 | -49.8 | 176.2 | -179.8 | -179.5 | 176.3 | 179.7 | 0 | 111.9 | E193 T194 F200 Q201 | E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3.05Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.96Å; K197-F200 PolarHBondContact O-N 2.84Å; K197-Q201 WeakPolarHBondContact O-CB 3.48Å; K197-Q201 PolarHBondContact O-N 3.05Å |
| 198 | I | 98.5 | Very high | 98.2 | Very high | 84 Ų | 84 | 76.4 Ų | 76.4 | 43% | 0.431 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 179.4 | -70.1 | 169.1 | 0 | 0 | 0 | 110.3 | T194 Q195 V196 F200 Q201 N202 | T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.41Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.35Å; T194-I198 PolarHBondContact O-N 3.43Å; Q195-I198 PolarHBondContact O-N 3.26Å; V196-I198 PolarHBondContact O-N 3Å; I198-F200 PolarHBondContact O-N 3.38Å; I198-Q201 PolarHBondContact O-N 3.41Å; I198-N202 WeakPolarHBondContact CG2-ND2 3.45Å; I198-N202 WeakPolarHBondContact O-CB 3.42Å; I198-N202 VanDerWaalsContact O-CG 3.29Å; I198-N202 PolarHBondContact O-N 3.41Å; I198-N202 PolarHBondContact O-ND2 3.45Å |
| 199 | W | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 79.9 Ų | 79.9 | 12% | 0.117 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 178.8 | -170.8 | 99.9 | 0 | 0 | 0 | 111.3 | F159 L167 E168 F171 Q195 V196 Q201 N202 R203 | F159-W199 AromaticContact CD2-CD1 3.77Å; F159-W199 HydrophobicContact CE2-CB 4.37Å; F159-W199 AromaticContact CE2-CD1 3.71Å; F159-W199 HydrophobicContact CE2-CG 4.4Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.92Å; L167-W199 HydrophobicContact CB-CH2 3.66Å; L167-W199 HydrophobicContact CB-CZ2 3.66Å; L167-W199 HydrophobicContact CB-CZ3 3.78Å; L167-W199 HydrophobicContact CD1-CD2 3.87Å; L167-W199 HydrophobicContact CD1-CE3 4.5Å; L167-W199 HydrophobicContact CD1-CG 3.86Å; L167-W199 HydrophobicContact CD2-CD2 4.36Å; L167-W199 HydrophobicContact CD2-CE3 4.23Å; L167-W199 HydrophobicContact CG-CD2 4.29Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; E168-W199 HydrophobicContact CB-CH2 4.42Å; E168-W199 HydrophobicContact CG-CH2 3.71Å; E168-W199 HydrophobicContact CG-CZ2 3.71Å; F171-W199 HydrophobicContact CB-CH2 4.33Å; F171-W199 HydrophobicContact CB-CZ3 4.05Å; F171-W199 HydrophobicContact CG-CZ3 4.44Å; Q195-W199 WeakPolarHBondContact O-CB 3.45Å; Q195-W199 PolarHBondContact O-N 3.17Å; V196-W199 PolarHBondContact O-N 2.97Å; W199-Q201 VanDerWaalsContact C-N 3.33Å; W199-Q201 PolarHBondContact O-N 2.81Å; W199-N202 PolarHBondContact O-N 2.9Å; W199-R203 HydrophobicContact CE3-CB 4.04Å; W199-R203 HydrophobicContact CH2-CB 4.12Å; W199-R203 HydrophobicContact CH2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CB 3.78Å; W199-R203 HydrophobicContact CZ3-CG 3.83Å; W199-R203 VanDerWaalsContact O-CB 3.32Å; W199-R203 WeakPolarHBondContact O-CB 3.41Å; W199-R203 PolarHBondContact O-N 3.33Å |
| 200 | F | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 84.8 Ų | 84.8 | 4% | 0.035 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 177.2 | -90.8 | -104.1 | 0 | 0 | 0 | 112.5 | L167 R170 F171 L177 L185 V196 K197 I198 R204 | L167-F200 HydrophobicContact CD2-CE2 3.96Å; R170-F200 HydrophobicContact CB-CZ 4.32Å; F171-F200 HydrophobicContact CB-CE1 4.17Å; F171-F200 HydrophobicContact CB-CZ 4.35Å; F171-F200 AromaticContact CD2-CD1 3.87Å; F171-F200 HydrophobicContact CD2-CD1 3.87Å; F171-F200 AromaticContact CD2-CE1 3.89Å; F171-F200 HydrophobicContact CD2-CE1 3.89Å; L177-F200 HydrophobicContact CD1-CD1 4.31Å; L177-F200 HydrophobicContact CD1-CD2 4.14Å; L177-F200 HydrophobicContact CD1-CE1 3.76Å; L177-F200 HydrophobicContact CD1-CE2 3.57Å; L177-F200 HydrophobicContact CD1-CG 4.49Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.28Å; L177-F200 HydrophobicContact CD2-CZ 4.39Å; L177-F200 HydrophobicContact CG-CD1 4.12Å; L177-F200 HydrophobicContact CG-CE1 3.64Å; L177-F200 HydrophobicContact CG-CE2 4.36Å; L177-F200 HydrophobicContact CG-CZ 3.79Å; L185-F200 HydrophobicContact CD2-CE2 3.93Å; L185-F200 HydrophobicContact CD2-CZ 4.21Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 WeakPolarHBondContact O-CD2 3.46Å; V196-F200 PolarHBondContact O-N 2.93Å; K197-F200 PolarHBondContact O-N 2.84Å; I198-F200 PolarHBondContact O-N 3.38Å; F200-R204 WeakPolarHBondContact O-CG 3.46Å; F200-R204 PolarHBondContact O-N 3.48Å; F200-R204 PolarHBondContact O-NE 3.19Å |
| 201 | Q | 98.6 | Very high | 97.7 | Very high | 109 Ų | 109 | 80.5 Ų | 80.5 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 174.4 | -171.4 | 167.5 | 26 | 0 | 0 | 111.6 | K197 I198 W199 R203 R204 Y205 | K197-Q201 WeakPolarHBondContact O-CB 3.48Å; K197-Q201 PolarHBondContact O-N 3.05Å; I198-Q201 PolarHBondContact O-N 3.41Å; W199-Q201 VanDerWaalsContact C-N 3.33Å; W199-Q201 PolarHBondContact O-N 2.81Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 2.71Å; Q201-R204 PolarHBondContact O-N 2.87Å; Q201-Y205 PolarHBondContact O-N 2.82Å |
| 202 | N | 98.3 | Very high | 97.4 | Very high | 92 Ų | 92 | 84.7 Ų | 84.7 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.2 | -73.1 | -25.6 | 0 | 0 | 0 | 111.7 | I198 W199 Y205 K206 | I198-N202 WeakPolarHBondContact CG2-ND2 3.45Å; I198-N202 WeakPolarHBondContact O-CB 3.42Å; I198-N202 VanDerWaalsContact O-CG 3.29Å; I198-N202 PolarHBondContact O-N 3.41Å; I198-N202 PolarHBondContact O-ND2 3.45Å; W199-N202 PolarHBondContact O-N 2.9Å; N202-Y205 PolarHBondContact O-N 3.15Å; N202-K206 WeakPolarHBondContact O-CG 3.39Å; N202-K206 PolarHBondContact O-N 3.2Å |
| 203 | R | 98.4 | Very high | 97 | Very high | 46 Ų | 46 | 83.3 Ų | 83.3 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 178.7 | -174 | 62.9 | -177.3 | -167.4 | -3.2 | 111.3 | E168 F171 W199 Q201 Y205 K206 T207 | E168-R203 IonicContact OE1-CZ 3.26Å; E168-R203 VanDerWaalsContact OE1-CZ 3.26Å; E168-R203 IonicContact OE1-NH1 2.71Å; E168-R203 PolarHBondContact OE1-NH1 2.89Å; E168-R203 IonicContact OE1-NH2 3.41Å; E168-R203 PolarHBondContact OE1-NH2 3.11Å; F171-R203 HydrophobicContact CD1-CG 3.69Å; F171-R203 HydrophobicContact CD2-CB 4.22Å; F171-R203 HydrophobicContact CD2-CG 3.66Å; F171-R203 HydrophobicContact CE1-CG 3.69Å; F171-R203 HydrophobicContact CE2-CB 4.13Å; F171-R203 HydrophobicContact CE2-CG 3.66Å; F171-R203 HydrophobicContact CG-CG 3.67Å; F171-R203 HydrophobicContact CZ-CB 4.47Å; F171-R203 HydrophobicContact CZ-CG 3.67Å; W199-R203 HydrophobicContact CE3-CB 4.04Å; W199-R203 HydrophobicContact CH2-CB 4.12Å; W199-R203 HydrophobicContact CH2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CB 3.78Å; W199-R203 HydrophobicContact CZ3-CG 3.83Å; W199-R203 VanDerWaalsContact O-CB 3.32Å; W199-R203 WeakPolarHBondContact O-CB 3.41Å; W199-R203 PolarHBondContact O-N 3.33Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 2.71Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.04Å; R203-K206 PolarHBondContact O-N 3.34Å; R203-T207 PolarHBondContact O-N 3.33Å; R203-T207 PolarHBondContact O-OG1 3.22Å; R203-T207 VanDerWaalsContact O-OG1 3.07Å |
| 204 | R | 98.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 81.4 Ų | 81.4 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 174.7 | -73.9 | -177.5 | -72.6 | 148.6 | -6.1 | 111.8 | F171 R175 F200 Q201 T207 K208 | F171-R204 HydrophobicContact CE2-CG 3.75Å; F171-R204 HydrophobicContact CZ-CG 4.19Å; R175-R204 WeakPolarHBondContact O-CD 3.38Å; F200-R204 WeakPolarHBondContact O-CG 3.46Å; F200-R204 PolarHBondContact O-N 3.48Å; F200-R204 PolarHBondContact O-NE 3.19Å; Q201-R204 PolarHBondContact O-N 2.87Å; R204-T207 PolarHBondContact O-N 2.87Å; R204-K208 PolarHBondContact O-N 3.03Å |
| 205 | Y | 98.3 | Very high | 96.1 | Very high | 138 Ų | 138 | 82.2 Ų | 82.2 | 54% | 0.541 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 179.1 | -173.3 | -98.8 | 0 | 0 | 0 | 112.3 | Q201 N202 R203 T207 K208 R209 | Q201-Y205 PolarHBondContact O-N 2.82Å; N202-Y205 PolarHBondContact O-N 3.15Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.04Å; Y205-T207 VanDerWaalsContact C-N 3.35Å; Y205-T207 PolarHBondContact O-N 2.74Å; Y205-K208 PolarHBondContact O-N 3.47Å; Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.95Å; Y205-R209 PolarHBondContact OH-NH2 3.08Å |
| 206 | K | 97.3 | Very high | 95.5 | Very high | 114 Ų | 114 | 85 Ų | 85 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 175 | -76 | -179.1 | 73.1 | 174.7 | 0 | 111.9 | N202 R203 R209 R210 | N202-K206 WeakPolarHBondContact O-CG 3.39Å; N202-K206 PolarHBondContact O-N 3.2Å; R203-K206 PolarHBondContact O-N 3.34Å; K206-R209 PolarHBondContact O-N 2.91Å; K206-R210 WeakPolarHBondContact O-CG 3.4Å; K206-R210 PolarHBondContact O-N 3.03Å |
| 207 | T | 97.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 92.4 Ų | 92.4 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | R203 R204 Y205 R209 R210 Q211 | R203-T207 PolarHBondContact O-N 3.33Å; R203-T207 PolarHBondContact O-OG1 3.22Å; R203-T207 VanDerWaalsContact O-OG1 3.07Å; R204-T207 PolarHBondContact O-N 2.87Å; Y205-T207 VanDerWaalsContact C-N 3.35Å; Y205-T207 PolarHBondContact O-N 2.74Å; T207-R209 VanDerWaalsContact C-N 3.35Å; T207-R209 PolarHBondContact O-N 3.19Å; T207-R210 PolarHBondContact O-N 3.15Å; T207-Q211 WeakPolarHBondContact O-CG 3.24Å; T207-Q211 PolarHBondContact O-N 3.45Å |
| 208 | K | 96.9 | Very high | 93.7 | Very high | 118 Ų | 118 | 91.2 Ų | 91.2 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.2 | -177.8 | 175.3 | 177.5 | 176.2 | 0 | 111.9 | R204 Y205 R210 Q211 M212 | R204-K208 PolarHBondContact O-N 3.03Å; Y205-K208 PolarHBondContact O-N 3.47Å; K208-R210 VanDerWaalsContact C-N 3.33Å; K208-R210 PolarHBondContact O-N 2.77Å; K208-Q211 PolarHBondContact O-N 3.45Å; K208-M212 HydrophobicContact CD-CE 4.3Å; K208-M212 HydrophobicContact CG-CE 4.12Å; K208-M212 HydrophobicContact CG-SD 4.12Å; K208-M212 WeakPolarHBondContact O-CG 3.39Å; K208-M212 PolarHBondContact O-N 3.3Å |
| 209 | R | 96.1 | Very high | 92.4 | Very high | 153 Ų | 153 | 91.9 Ų | 91.9 | 58% | 0.577 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 177.7 | -173.2 | -169.7 | -85.2 | 177.4 | -8.8 | 111.8 | Y205 K206 T207 A213 | Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.95Å; Y205-R209 PolarHBondContact OH-NH2 3.08Å; K206-R209 PolarHBondContact O-N 2.91Å; T207-R209 VanDerWaalsContact C-N 3.35Å; T207-R209 PolarHBondContact O-N 3.19Å; R209-A213 WeakPolarHBondContact O-CB 3.38Å; R209-A213 PolarHBondContact O-N 2.91Å |
| 210 | R | 94 | Very high | 90.9 | Very high | 124 Ų | 124 | 93.1 Ų | 93.1 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.1 | -73.4 | -169.6 | -145.5 | 101.5 | -11.6 | 112.3 | K206 T207 K208 A213 A214 | K206-R210 WeakPolarHBondContact O-CG 3.4Å; K206-R210 PolarHBondContact O-N 3.03Å; T207-R210 PolarHBondContact O-N 3.15Å; K208-R210 VanDerWaalsContact C-N 3.33Å; K208-R210 PolarHBondContact O-N 2.77Å; R210-A213 PolarHBondContact O-N 2.82Å; R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.47Å |
| 211 | Q | 92.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -51.7 | 175.8 | -71.5 | 168.5 | -14.5 | 0 | 0 | 110.7 | T207 K208 A213 A214 D215 | T207-Q211 WeakPolarHBondContact O-CG 3.24Å; T207-Q211 PolarHBondContact O-N 3.45Å; K208-Q211 PolarHBondContact O-N 3.45Å; Q211-A213 VanDerWaalsContact C-N 3.29Å; Q211-A213 PolarHBondContact O-N 3.23Å; Q211-A214 WeakPolarHBondContact O-CB 3.42Å; Q211-A214 PolarHBondContact O-N 3.41Å; Q211-D215 PolarHBondContact O-N 3.3Å |
| 212 | M | 91.4 | Very high | 87.5 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 177.6 | -68.7 | 173 | 159 | 0 | 0 | 113.4 | K208 L216 | K208-M212 HydrophobicContact CD-CE 4.3Å; K208-M212 HydrophobicContact CG-CE 4.12Å; K208-M212 HydrophobicContact CG-SD 4.12Å; K208-M212 WeakPolarHBondContact O-CG 3.39Å; K208-M212 PolarHBondContact O-N 3.3Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 PolarHBondContact O-N 3.24Å; M212-L216 VanDerWaalsContact O-N 3.11Å |
| 213 | A | 91.3 | Very high | 85.8 | Confident | 48 Ų | 48 | 97.5 Ų | 97.5 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R209 R210 Q211 L216 M217 | R209-A213 WeakPolarHBondContact O-CB 3.38Å; R209-A213 PolarHBondContact O-N 2.91Å; R210-A213 PolarHBondContact O-N 2.82Å; Q211-A213 VanDerWaalsContact C-N 3.29Å; Q211-A213 PolarHBondContact O-N 3.23Å; A213-L216 PolarHBondContact O-N 3.19Å; A213-M217 WeakPolarHBondContact O-CG 3.5Å; A213-M217 PolarHBondContact O-N 2.88Å |
| 214 | A | 90.6 | Very high | 84.3 | Confident | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R210 Q211 L216 M217 A218 | R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.47Å; Q211-A214 WeakPolarHBondContact O-CB 3.42Å; Q211-A214 PolarHBondContact O-N 3.41Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 3.13Å; A214-M217 PolarHBondContact O-N 3.18Å; A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 3.43Å |
| 215 | D | 87.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | 177.2 | -60.1 | -26.6 | 0 | 0 | 0 | 111.3 | Q211 A218 S219 | Q211-D215 PolarHBondContact O-N 3.3Å; D215-A218 PolarHBondContact O-N 3.17Å; D215-S219 VanDerWaalsContact O-CB 3.24Å; D215-S219 WeakPolarHBondContact O-CB 3Å; D215-S219 PolarHBondContact O-N 3.25Å |
| 216 | L | 84.6 | Confident | 81.3 | Confident | 129 Ų | 129 | 110 Ų | 110 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.6 | -37.6 | 176 | -171.9 | 62.7 | 0 | 0 | 0 | 112.4 | M212 A213 A214 A220 | M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 PolarHBondContact O-N 3.24Å; M212-L216 VanDerWaalsContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 3.19Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 3.13Å; L216-A220 PolarHBondContact O-N 3.33Å; L216-A220 VanDerWaalsContact O-N 3.15Å |
| 217 | M | 81.6 | Confident | 79.9 | Confident | 155 Ų | 155 | 109.1 Ų | 109.1 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.3 | -34.8 | 174.6 | -72.5 | 175.8 | 101.8 | 0 | 0 | 112.2 | A213 A214 | A213-M217 WeakPolarHBondContact O-CG 3.5Å; A213-M217 PolarHBondContact O-N 2.88Å; A214-M217 PolarHBondContact O-N 3.18Å |
| 218 | A | 78.7 | Confident | 78.7 | Confident | 88 Ų | 88 | 113.9 Ų | 113.9 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.9 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A214 D215 | A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 3.43Å; D215-A218 PolarHBondContact O-N 3.17Å |
| 219 | S | 70.3 | Confident | 77.3 | Confident | 97 Ų | 97 | 117.5 Ų | 117.5 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -83.4 | -15.9 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 113.3 | D215 P221 | D215-S219 VanDerWaalsContact O-CB 3.24Å; D215-S219 WeakPolarHBondContact O-CB 3Å; D215-S219 PolarHBondContact O-N 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.36Å |
| 220 | A | 67.1 | Low | 76.2 | Confident | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -65.2 | 120.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L216 A222 | L216-A220 PolarHBondContact O-N 3.33Å; L216-A220 VanDerWaalsContact O-N 3.15Å; A220-A222 PolarHBondContact O-N 3.28Å |
| 221 | P | 64.1 | Low | 74.9 | Confident | 118 Ų | 118 | 118 Ų | 118 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -59.4 | 128.7 | 175 | 25.7 | -32.7 | 0 | 0 | 0 | 107.5 | S219 A223 | S219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-A223 PolarHBondContact O-N 3.26Å | ||
| 222 | A | 62.3 | Low | 73.6 | Confident | 96 Ų | 96 | 118.2 Ų | 118.2 | 79% | 0.793 | 70% | 0.7 | S | S | * | * | trans | -49.5 | 100.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A220 K224 | A220-A222 PolarHBondContact O-N 3.28Å; A222-K224 PolarHBondContact O-N 3.05Å | ||
| 223 | A | 64.1 | Low | 72 | Confident | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -65 | 107.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | P221 K225 | P221-A223 PolarHBondContact O-N 3.26Å; A223-K225 PolarHBondContact O-N 2.92Å | ||
| 224 | K | 65.8 | Low | 70.1 | Confident | 195 Ų | 195 | 129 Ų | 129 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 104.4 | 175.3 | -63.3 | 178 | -176.7 | 177.7 | 0 | 106.6 | A222 V226 | A222-K224 PolarHBondContact O-N 3.05Å; K224-V226 PolarHBondContact O-N 3.14Å | ||
| 225 | K | 66.7 | Low | 68.3 | Low | 210 Ų | 210 | 132.7 Ų | 132.7 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | trans | -65.7 | 99.8 | 178.3 | -65.2 | -179.4 | -179.3 | -177.4 | 0 | 107.8 | A223 A227 | A223-K225 PolarHBondContact O-N 2.92Å; K225-A227 PolarHBondContact O-N 2.94Å | ||
| 226 | V | 68 | Low | 66.7 | Low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -81.2 | 114 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | K224 V228 | K224-V226 PolarHBondContact O-N 3.14Å; V226-V228 PolarHBondContact O-N 3.44Å; V226-V228 VanDerWaalsContact O-N 3.17Å | ||
| 227 | A | 67.1 | Low | 64.9 | Low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -69 | 109.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | K225 K229 | K225-A227 PolarHBondContact O-N 2.94Å; A227-K229 PolarHBondContact O-N 3.37Å | ||
| 228 | V | 71.4 | Confident | 63.2 | Low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 114.3 | 170.6 | 179 | 0 | 0 | 0 | 0 | 107.6 | V226 V230 | V226-V228 PolarHBondContact O-N 3.44Å; V226-V228 VanDerWaalsContact O-N 3.17Å; V228-V230 PolarHBondContact O-N 3.48Å | ||
| 229 | K | 68.6 | Low | 61.3 | Low | 193 Ų | 193 | 148.7 Ų | 148.7 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -68.4 | 110.4 | 169.6 | -62.4 | -179.7 | 169.3 | -176.9 | 0 | 107.8 | A227 L231 | A227-K229 PolarHBondContact O-N 3.37Å; K229-L231 PolarHBondContact O-N 3.04Å | ||
| 230 | V | 72.3 | Confident | 60.3 | Low | 123 Ų | 123 | 150.6 Ų | 150.6 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 102.3 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | V228 V232 | V228-V230 PolarHBondContact O-N 3.48Å; V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 4.23Å; V230-V232 PolarHBondContact O-N 3.1Å | ||
| 231 | L | 65.8 | Low | 59.6 | Low | 164 Ų | 164 | 153.5 Ų | 153.5 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 94.5 | 165.8 | -79.8 | 162.6 | 0 | 0 | 0 | 107.2 | K229 R233 | K229-L231 PolarHBondContact O-N 3.04Å; L231-R233 PolarHBondContact O-N 3.03Å; L231-R233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | V | 66.4 | Low | 59.3 | Low | 110 Ų | 110 | 151 Ų | 151 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 108.3 | 164.3 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | V230 D234 | V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 4.23Å; V230-V232 PolarHBondContact O-N 3.1Å; V232-D234 PolarHBondContact O-N 2.73Å | ||
| 233 | R | 57.6 | Low | 58.5 | Low | 234 Ų | 234 | 155.8 Ų | 155.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 113.2 | 163.5 | -100.2 | -167 | 164.9 | 144.1 | -1.5 | 106.8 | L231 D235 | L231-R233 PolarHBondContact O-N 3.03Å; L231-R233 VanDerWaalsContact O-N 3.1Å; R233-D235 PolarHBondContact O-N 2.76Å | ||
| 234 | D | 53 | Low | 58 | Low | 150 Ų | 150 | 159.8 Ų | 159.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 98.8 | 167.2 | -69.5 | -52.5 | 0 | 0 | 0 | 108.9 | V232 Q236 | V232-D234 PolarHBondContact O-N 2.73Å; D234-Q236 VanDerWaalsContact C-N 3.28Å; D234-Q236 PolarHBondContact O-N 3.02Å | ||
| 235 | D | 51.6 | Low | 57.4 | Low | 131 Ų | 131 | 158.1 Ų | 158.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 75.5 | 176.2 | -126.1 | -24.2 | 0 | 0 | 0 | 109.3 | R233 R237 | R233-D235 PolarHBondContact O-N 2.76Å; D235-R237 PolarHBondContact O-N 3Å; D235-R237 IonicContact OD1-NE 3.97Å | ||
| 236 | Q | 53.1 | Low | 56.8 | Low | 197 Ų | 197 | 158.7 Ų | 158.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 84.6 | 158.4 | -93.9 | -170.3 | 23.8 | 0 | 0 | 108.6 | D234 | D234-Q236 VanDerWaalsContact C-N 3.28Å; D234-Q236 PolarHBondContact O-N 3.02Å | ||
| 237 | R | 47.1 | Very low | 56 | Low | 215 Ų | 215 | 157.8 Ų | 157.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -105.2 | 99.7 | 161.1 | -74.1 | -157.6 | 169.6 | -121.2 | -1.3 | 108.7 | D235 Y239 | D235-R237 PolarHBondContact O-N 3Å; D235-R237 IonicContact OD1-NE 3.97Å; R237-Y239 PolarHBondContact O-N 3.02Å; R237-Y239 VanDerWaalsContact O-N 3.08Å | ||
| 238 | Q | 46.8 | Very low | 55.4 | Low | 186 Ų | 186 | 158.7 Ų | 158.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -52.7 | 111.1 | 159.6 | -90.7 | 173.2 | -77.6 | 0 | 0 | 108.7 | N240 | Q238-N240 PolarHBondContact O-N 3.08Š| ||
| 239 | Y | 38.9 | Very low | 54.6 | Low | 215 Ų | 215 | 160.6 Ų | 160.6 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -81.9 | 108.4 | 168.6 | -159.1 | -92.6 | 0 | 0 | 0 | 108.1 | R237 | R237-Y239 PolarHBondContact O-N 3.02Å; R237-Y239 VanDerWaalsContact O-N 3.08Å | ||
| 240 | N | 49.5 | Very low | 54 | Low | 137 Ų | 137 | 159.1 Ų | 159.1 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -90.2 | 119.5 | 170 | -115.2 | -46.2 | 0 | 0 | 0 | 108.2 | Q238 G242 | Q238-N240 PolarHBondContact O-N 3.08Å; N240-G242 VanDerWaalsContact C-N 3.33Å; N240-G242 PolarHBondContact O-N 2.8Å | ||
| 241 | P | 51.5 | Low | 53.1 | Low | 119 Ų | 119 | 157.3 Ų | 157.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 70.8 | -175.6 | 34.7 | -32.5 | 0 | 0 | 0 | 110.6 | ||
| 242 | G | 56.9 | Low | 52.3 | Low | 66 Ų | 66 | 157.6 Ų | 157.6 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.2 | -15.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | N240 | N240-G242 VanDerWaalsContact C-N 3.33Å; N240-G242 PolarHBondContact O-N 2.8Å |
| 243 | E | 46 | Very low | 51.9 | Low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -105.9 | 73.7 | -177.5 | -79.7 | -173.6 | 148.1 | 0 | 0 | 112.4 | L245 | E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 2.91Å | ||
| 244 | L | 54.3 | Low | 51.6 | Low | 173 Ų | 173 | 153.4 Ų | 153.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 76.9 | 158.5 | -75.7 | 179.2 | 0 | 0 | 0 | 109.7 | ||||
| 245 | L | 53.4 | Low | 51.3 | Low | 159 Ų | 159 | 151.8 Ų | 151.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -139.8 | 98.9 | 166.9 | -90.7 | 166.8 | 0 | 0 | 0 | 112 | E243 | E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 2.91Å | ||
| 246 | R | 54.3 | Low | 51.5 | Low | 223 Ų | 223 | 155.2 Ų | 155.2 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | 75.4 | 103.9 | 139 | -160.5 | 174.7 | -169 | 143.8 | 1.2 | 118.2 | ||||
| 247 | P | 50.3 | Low | 51.6 | Low | 104 Ų | 104 | 155.5 Ų | 155.5 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 134.3 | 160.9 | -14.3 | 28.8 | 0 | 0 | 0 | 110.4 | L249 | P247-L249 PolarHBondContact O-N 3.18Š| ||
| 248 | P | 55.5 | Low | 52 | Low | 114 Ų | 114 | 156.1 Ų | 156.1 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 117.8 | 170.8 | -14.6 | 28.1 | 0 | 0 | 0 | 109.3 | L250 | P248-L250 PolarHBondContact O-N 3.42Š| ||
| 249 | L | 52.8 | Low | 52.7 | Low | 164 Ų | 164 | 151.4 Ų | 151.4 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -74 | 96 | 169.3 | -57.8 | -152.2 | 0 | 0 | 0 | 107.5 | P247 A251 | P247-L249 PolarHBondContact O-N 3.18Å; L249-A251 PolarHBondContact O-N 3.02Å | ||
| 250 | L | 57.5 | Low | 53.5 | Low | 162 Ų | 162 | 150.2 Ų | 150.2 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -67.6 | 114.5 | 164.2 | -69 | 177.2 | 0 | 0 | 0 | 107.6 | P248 L252 | P248-L250 PolarHBondContact O-N 3.42Å; L250-L252 PolarHBondContact O-N 2.96Å | ||
| 251 | A | 53.5 | Low | 53.8 | Low | 85 Ų | 85 | 147.9 Ų | 147.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | -59.7 | 116.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L249 Q253 | L249-A251 PolarHBondContact O-N 3.02Å; A251-Q253 PolarHBondContact O-N 3.32Å; A251-Q253 VanDerWaalsContact O-N 3.16Å | ||
| 252 | L | 49 | Very low | 54.3 | Low | 171 Ų | 171 | 150.5 Ų | 150.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 100.4 | 167.2 | -141.9 | 77.4 | 0 | 0 | 0 | 107.6 | L250 P254 | L250-L252 PolarHBondContact O-N 2.96Å; L252-P254 WeakPolarHBondContact O-CD 3.49Å | ||
| 253 | Q | 57.2 | Low | 54.4 | Low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -79.6 | 121.7 | 166.5 | -76.1 | -71.2 | -30.4 | 0 | 0 | 108.4 | A251 S255 | A251-Q253 PolarHBondContact O-N 3.32Å; A251-Q253 VanDerWaalsContact O-N 3.16Å; Q253-S255 PolarHBondContact O-N 3.22Å; Q253-S255 VanDerWaalsContact O-N 3.08Å | ||
| 254 | P | 52.1 | Low | 55.2 | Low | 90 Ų | 90 | 150 Ų | 150 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 92.2 | 172.2 | 30.2 | -28.3 | 0 | 0 | 0 | 108.7 | L252 Y256 | L252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-Y256 VanDerWaalsContact C-N 3.28Å; P254-Y256 HydrophobicContact CB-CD2 4.29Å; P254-Y256 HydrophobicContact CB-CE2 3.95Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.46Å; P254-Y256 PolarHBondContact O-N 3.03Å | ||
| 255 | S | 46.7 | Very low | 55.5 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -71.8 | 93.1 | 161.7 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | Q253 | Q253-S255 PolarHBondContact O-N 3.22Å; Q253-S255 VanDerWaalsContact O-N 3.08Å | ||
| 256 | Y | 54.7 | Low | 55.5 | Low | 204 Ų | 204 | 143 Ų | 143 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -57.3 | 149.2 | 157 | -70.9 | -90 | 0 | 0 | 0 | 108.9 | P254 | P254-Y256 VanDerWaalsContact C-N 3.28Å; P254-Y256 HydrophobicContact CB-CD2 4.29Å; P254-Y256 HydrophobicContact CB-CE2 3.95Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.46Å; P254-Y256 PolarHBondContact O-N 3.03Å | ||
| 257 | Y | 55 | Low | 55.8 | Low | 203 Ų | 203 | 142.5 Ų | 142.5 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 97.6 | 89.2 | 174.9 | -143.7 | -94.4 | 0 | 0 | 0 | 115.7 | ||||
| 258 | Y | 55.8 | Low | 56.1 | Low | 227 Ų | 227 | 142 Ų | 142 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -135.5 | 124.4 | 147.4 | -114.8 | -88.2 | 0 | 0 | 0 | 110.3 | ||||
| 259 | P | 62.6 | Low | 55.9 | Low | 87 Ų | 87 | 144.5 Ų | 144.5 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | trans | -78.5 | 152.6 | -179.6 | 32.9 | -32.7 | 0 | 0 | 0 | 110.7 | A261 | P259-A261 PolarHBondContact O-N 3.22Š| ||
| 260 | Y | 55.4 | Low | 55.7 | Low | 191 Ų | 191 | 142.3 Ų | 142.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -53.4 | 94.7 | -175.9 | -145.9 | -86.7 | 0 | 0 | 0 | 112.9 | Y262 | Y260-Y262 AromaticContact CD1-CD2 3.33Å; Y260-Y262 HydrophobicContact CD1-CD2 3.33Å; Y260-Y262 AromaticContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CG 4.1Å; Y260-Y262 HydrophobicContact CE1-CD1 4.4Å; Y260-Y262 AromaticContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CE1 4.13Å; Y260-Y262 AromaticContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CG 4.15Å; Y260-Y262 AromaticContact CE1-CZ 3.56Å; Y260-Y262 HydrophobicContact CG-CE2 4.49Å; Y260-Y262 PolarHBondContact O-N 3.23Å | ||
| 261 | A | 56.3 | Low | 55.5 | Low | 87 Ų | 87 | 141.1 Ų | 141.1 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -80.3 | 93.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P259 C263 | P259-A261 PolarHBondContact O-N 3.22Å; A261-C263 PolarHBondContact O-N 3.16Å | ||
| 262 | Y | 61 | Low | 55.2 | Low | 175 Ų | 175 | 143.1 Ų | 143.1 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | trans | -54.8 | 99.9 | 163.3 | -94.2 | -88.3 | 0 | 0 | 0 | 109 | Y260 L264 | Y260-Y262 AromaticContact CD1-CD2 3.33Å; Y260-Y262 HydrophobicContact CD1-CD2 3.33Å; Y260-Y262 AromaticContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CG 4.1Å; Y260-Y262 HydrophobicContact CE1-CD1 4.4Å; Y260-Y262 AromaticContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CE1 4.13Å; Y260-Y262 AromaticContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CG 4.15Å; Y260-Y262 AromaticContact CE1-CZ 3.56Å; Y260-Y262 HydrophobicContact CG-CE2 4.49Å; Y260-Y262 PolarHBondContact O-N 3.23Å; Y262-L264 VanDerWaalsContact C-N 3.28Å; Y262-L264 PolarHBondContact O-N 3.08Å | ||
| 263 | C | 58.6 | Low | 55 | Low | 124 Ų | 124 | 139.7 Ų | 139.7 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -72.5 | 89 | 162.9 | -70 | 0 | 0 | 0 | 0 | 107.8 | A261 | A261-C263 PolarHBondContact O-N 3.16Š| ||
| 264 | L | 63.3 | Low | 54.4 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | trans | -68.3 | 126.5 | 166.3 | -74.1 | 162.3 | 0 | 0 | 0 | 108.4 | Y262 | Y262-L264 VanDerWaalsContact C-N 3.28Å; Y262-L264 PolarHBondContact O-N 3.08Å | ||
| 265 | P | 59.8 | Low | 54.1 | Low | 73 Ų | 73 | 139.1 Ų | 139.1 | 47% | 0.474 | 77% | 0.77 | S | S | . | * | trans | -68.2 | 142.8 | 174.8 | 27.5 | -33.1 | 0 | 0 | 0 | 110.6 | W267 | P265-W267 VanDerWaalsContact C-CD1 3.49Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 PolarHBondContact O-N 3Å | ||
| 266 | A | 53.7 | Low | 54.4 | Low | 113 Ų | 113 | 146.1 Ų | 146.1 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 31.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 267 | W | 60.4 | Low | 54.4 | Low | 212 Ų | 212 | 143.3 Ų | 143.3 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 7.2 | -176.4 | 51 | -62.8 | 0 | 0 | 0 | 114.1 | P265 | P265-W267 VanDerWaalsContact C-CD1 3.49Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 PolarHBondContact O-N 3Å |
| 268 | T | 57.2 | Low | 54.4 | Low | 93 Ų | 93 | 140.1 Ų | 140.1 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | trans | -102.8 | 23.3 | -178 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 269 | L | 50.6 | Low | 54.3 | Low | 168 Ų | 168 | 135.3 Ų | 135.3 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -120 | 87.9 | 169.1 | -70.5 | 171.9 | 0 | 0 | 0 | 109.9 | ||||
| 270 | S | 49.4 | Very low | 53.8 | Low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 76.1 | 158.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 271 | T | 52.5 | Low | 53.7 | Low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -140.2 | 105.9 | 161.1 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 272 | C | 47.4 | Very low | 53.5 | Low | 127 Ų | 127 | 138 Ų | 138 | 86% | 0.858 | 80% | 0.804 | S | S | * | * | trans | -161.4 | 146.3 | 146.9 | 60.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 273 | A | 46.3 | Very low | 53 | Low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -176.7 | 148.6 | -15.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 274 | G | 44 | Very low | 52.6 | Low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 79.7 | 117.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 275 | N | 46.3 | Very low | 51.7 | Low | 171 Ų | 171 | 137.2 Ų | 137.2 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | -152.2 | 140.3 | 104.7 | -114.7 | -27 | 0 | 0 | 0 | 110.4 | |||||
| 276 | Q | 52.3 | Low | 50.9 | Low | 264 Ų | 264 | 143 Ų | 143 | 100% | 1.234 | 86% | 0.856 | S | S | * | * | trans | -72.4 | 0 | 177.8 | -67.2 | 176.3 | 101.3 | 0 | 0 | 111.4 |
Retrieved 276 of 276 residues in 178.1 ms
(Link to these results)