| 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 | 33.8 | Very low | 38.7 | Very low | 241 Ų | 241 | 160.8 Ų | 160.8 | 100% | 1.187 | 80% | 0.796 | S | S | * | * | 0 | 81.4 | 0 | -73.5 | -79.5 | 177.4 | 0 | 0 | 106.7 | |||||
| 2 | T | 35.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 160.1 Ų | 160.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 73.1 | -170.1 | 40.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | L | 35.8 | Very low | 38.8 | Very low | 167 Ų | 167 | 157.5 Ų | 157.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -151.9 | 112.2 | 166.4 | -106.2 | 108.3 | 0 | 0 | 0 | 105.1 | ||||
| 4 | E | 37.4 | Very low | 38.6 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 160.6 | 97.7 | 149.7 | -92 | -175.3 | -163 | 0 | 0 | 108.2 | ||||
| 5 | K | 36.6 | Very low | 38.3 | Very low | 157 Ų | 157 | 162.5 Ų | 162.5 | 68% | 0.683 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -176.3 | 6.6 | 151.5 | -101.7 | 168.4 | -164 | -166.7 | 0 | 115.4 | E243 | K5-E243 IonicContact NZ-OE1 2.7Å; K5-E243 PolarHBondContact NZ-OE1 3.23Å; K5-E243 IonicContact NZ-OE2 2.63Å; K5-E243 PolarHBondContact NZ-OE2 3.43Å |
| 6 | T | 42 | Very low | 38.3 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -90 | 4.7 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 7 | Y | 39.2 | Very low | 38.1 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -89.1 | -2.2 | -172.3 | -90.8 | -80.9 | 0 | 0 | 0 | 117.1 | ||
| 8 | L | 39.9 | Very low | 37.9 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -95.7 | -24.9 | -179.5 | -67.7 | -175.7 | 0 | 0 | 0 | 115.2 | S10 | L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.06Å |
| 9 | L | 39.9 | Very low | 37.5 | Very low | 148 Ų | 148 | 162.6 Ų | 162.6 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -73.5 | -23.8 | 177.7 | -98.1 | 87.8 | 0 | 0 | 0 | 113.6 | ||
| 10 | S | 45 | Very low | 37.4 | Very low | 72 Ų | 72 | 159.2 Ų | 159.2 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | H | α-helix | trans | -79 | -17.2 | -177.9 | 65 | 0 | 0 | 0 | 0 | 114 | L8 | L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.06Å |
| 11 | R | 40.7 | Very low | 37.2 | Very low | 205 Ų | 205 | 159.9 Ų | 159.9 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -84.7 | -28.6 | 179.8 | -94 | -173 | 174.5 | -171 | -0.4 | 114.1 | ||
| 12 | L | 38.9 | Very low | 37.1 | Very low | 152 Ų | 152 | 154 Ų | 154 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -82.3 | -17.2 | -173.3 | -125.5 | 118.2 | 0 | 0 | 0 | 114.3 | K14 | L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.14Å |
| 13 | I | 39.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 65% | 0.646 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -82.7 | -7.3 | -177.3 | -63.9 | 170.1 | 0 | 0 | 0 | 112.7 | Y15 | I13-Y15 VanDerWaalsContact C-N 3.34Å; I13-Y15 PolarHBondContact O-N 2.95Å |
| 14 | K | 36.5 | Very low | 36.4 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -81.5 | -0.9 | -179.4 | -76.3 | -171.1 | 179.1 | -176.4 | 0 | 115.8 | L12 | L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.14Å |
| 15 | Y | 33.9 | Very low | 36 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -111.6 | 30.3 | -176.7 | -77.2 | -76.5 | 0 | 0 | 0 | 115.1 | I13 | I13-Y15 VanDerWaalsContact C-N 3.34Å; I13-Y15 PolarHBondContact O-N 2.95Å |
| 16 | L | 38 | Very low | 35.6 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.8 | 123.1 | 163.2 | -85.9 | 135.8 | 0 | 0 | 0 | 109.6 | Y18 | L16-Y18 PolarHBondContact O-N 3.06Š|
| 17 | P | 34.9 | Very low | 34.9 | Very low | 126 Ų | 126 | 158.4 Ų | 158.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 109 | -175.2 | 27.2 | -32.1 | 0 | 0 | 0 | 110.2 | K19 | P17-K19 PolarHBondContact O-N 2.81Š| ||
| 18 | Y | 34 | Very low | 34.2 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | trans | -62.9 | 108 | 165.4 | -96.2 | -102.4 | 0 | 0 | 0 | 110.2 | L16 F21 | L16-Y18 PolarHBondContact O-N 3.06Å; Y18-F21 AromaticContact CD1-CD2 3.97Å; Y18-F21 HydrophobicContact CD1-CD2 3.97Å; Y18-F21 AromaticContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CE1-CD2 4.23Å; Y18-F21 AromaticContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CE2 3.48Å; Y18-F21 VanDerWaalsContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CZ 4.07Å | ||
| 19 | K | 32 | Very low | 33.5 | Very low | 207 Ų | 207 | 157.6 Ų | 157.6 | 90% | 0.9 | 75% | 0.752 | S | S | * | * | trans | -140.4 | 91.3 | 155.4 | -92.5 | -169.2 | 177.8 | -176.9 | 0 | 109.3 | P17 | P17-K19 PolarHBondContact O-N 2.81Š| ||
| 20 | S | 34.2 | Very low | 32.9 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | 159.2 | 81.8 | 148.7 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | I22 | S20-I22 PolarHBondContact O-N 3.49Š| ||
| 21 | F | 32.7 | Very low | 32.3 | Very low | 174 Ų | 174 | 157.7 Ų | 157.7 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -79.8 | 94.9 | 158.7 | -101.5 | -88.9 | 0 | 0 | 0 | 106.2 | Y18 S23 | Y18-F21 AromaticContact CD1-CD2 3.97Å; Y18-F21 HydrophobicContact CD1-CD2 3.97Å; Y18-F21 AromaticContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CE1-CD2 4.23Å; Y18-F21 AromaticContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CE2 3.48Å; Y18-F21 VanDerWaalsContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CZ 4.07Å; F21-S23 PolarHBondContact O-N 3.39Å | ||
| 22 | I | 32.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 61% | 0.605 | 76% | 0.755 | S | S | * | * | trans | -78.5 | 111.9 | 158.2 | -65.5 | 163 | 0 | 0 | 0 | 105 | S20 F24 | S20-I22 PolarHBondContact O-N 3.49Å; I22-F24 PolarHBondContact O-N 2.97Å; I22-F24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 29.2 | Very low | 31.3 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 116.2 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 108.8 | F21 Q25 | F21-S23 PolarHBondContact O-N 3.39Å; S23-Q25 PolarHBondContact O-N 2.73Å | ||
| 24 | F | 27.8 | Very low | 30.8 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 88.7 | 164.7 | -90.8 | -92.5 | 0 | 0 | 0 | 108.4 | I22 R26 | I22-F24 PolarHBondContact O-N 2.97Å; I22-F24 VanDerWaalsContact O-N 3.13Å; F24-R26 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | Q | 28.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -69.9 | 104.4 | 167 | -136.5 | 170.8 | -6.1 | 0 | 0 | 105.8 | S23 Y27 | S23-Q25 PolarHBondContact O-N 2.73Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.47Å; Q25-Y27 PolarHBondContact O-N 3.3Å | ||
| 26 | R | 27 | Very low | 30.5 | Very low | 222 Ų | 222 | 147 Ų | 147 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -54.6 | 105 | 164.4 | -83.3 | -179 | -177.2 | 144.2 | 0.2 | 106.7 | F24 F28 | F24-R26 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact O-N 3.08Å; R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 3.04Å | ||
| 27 | Y | 27.2 | Very low | 30.5 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 95.1 | 164.3 | -72.4 | -83.6 | 0 | 0 | 0 | 107.1 | Q25 C29 | Q25-Y27 WeakPolarHBondContact O-CD2 3.47Å; Q25-Y27 PolarHBondContact O-N 3.3Å; Y27-C29 PolarHBondContact O-N 3.22Å | ||
| 28 | F | 25.3 | Very low | 30.7 | Very low | 182 Ų | 182 | 148 Ų | 148 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -62.8 | 112.2 | 156.3 | -103.7 | -91.9 | 0 | 0 | 0 | 106.3 | R26 S30 | R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 3.04Å; F28-S30 PolarHBondContact O-N 3.3Å | ||
| 29 | C | 25.4 | Very low | 31.3 | Very low | 132 Ų | 132 | 145 Ų | 145 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | trans | -62.8 | 80 | 161.4 | -69.5 | 0 | 0 | 0 | 0 | 108.2 | Y27 S31 | Y27-C29 PolarHBondContact O-N 3.22Å; C29-S31 PolarHBondContact O-N 3.49Å | ||
| 30 | S | 26.9 | Very low | 32.1 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -85.5 | 98.2 | 165.9 | -169.1 | 0 | 0 | 0 | 0 | 107.4 | F28 A32 | F28-S30 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact O-N 2.94Å | ||
| 31 | S | 33.8 | Very low | 33.3 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -52.4 | 104.6 | 157 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | C29 | C29-S31 PolarHBondContact O-N 3.49Š| ||
| 32 | A | 28.8 | Very low | 34.8 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 55% | 0.554 | 71% | 0.709 | S | S | * | * | trans | -164.9 | 119.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S30 | S30-A32 PolarHBondContact O-N 2.94Š| ||
| 33 | N | 28.2 | Very low | 36.7 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | 82.2 | 63.7 | 164 | -47.2 | -42.4 | 0 | 0 | 0 | 116.2 | ||||
| 34 | L | 30.6 | Very low | 38.9 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | trans | -63 | 123.2 | 142.4 | -162.9 | 79.1 | 0 | 0 | 0 | 107.6 | ||||
| 35 | P | 31.5 | Very low | 41.3 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | trans | -68.5 | 133 | 168.7 | 27.5 | -29.4 | 0 | 0 | 0 | 108.2 | K37 | P35-K37 PolarHBondContact O-N 3.41Š| ||
| 36 | N | 32.1 | Very low | 43.3 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 95% | 0.947 | 68% | 0.675 | S | S | * | * | trans | -40.9 | 100.4 | 170 | -93.8 | -27.4 | 0 | 0 | 0 | 110.4 | ||||
| 37 | K | 37 | Very low | 45.7 | Very low | 147 Ų | 147 | 116.7 Ų | 116.7 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -128.1 | 128.3 | 160.1 | -87 | -162.2 | 171.9 | -174.6 | 0 | 106 | P35 | P35-K37 PolarHBondContact O-N 3.41Š| ||
| 38 | D | 39.4 | Very low | 48.2 | Very low | 135 Ų | 135 | 113.6 Ų | 113.6 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | trans | -51.1 | 129.7 | -171.8 | -62.7 | -57.3 | 0 | 0 | 0 | 110.5 | A40 S41 | D38-A40 PolarHBondContact O-N 2.94Å; D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.27Å | ||
| 39 | P | 47.9 | Very low | 51 | Low | 121 Ų | 121 | 111.8 Ų | 111.8 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -9.3 | -169.3 | 23.7 | -34 | 0 | 0 | 0 | 114.2 | ||
| 40 | A | 48.6 | Very low | 53.6 | Low | 63 Ų | 63 | 110.8 Ų | 110.8 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72 | -25.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D38 S43 | D38-A40 PolarHBondContact O-N 2.94Å; A40-S43 PolarHBondContact O-OG 2.91Å; A40-S43 VanDerWaalsContact O-OG 3.06Å |
| 41 | S | 59.8 | Low | 56.1 | Low | 42 Ų | 42 | 110 Ų | 110 | 29% | 0.294 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -79.2 | -20.7 | -170.2 | 69 | 0 | 0 | 0 | 0 | 115.5 | D38 | D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.27Å |
| 42 | D | 63.4 | Low | 58.4 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -84.9 | -32.1 | -177.4 | -80 | -18.6 | 0 | 0 | 0 | 112.5 | D44 L46 | D42-D44 VanDerWaalsContact C-N 3.31Å; D42-D44 PolarHBondContact O-N 3.35Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.12Å |
| 43 | S | 72.1 | Confident | 60 | Low | 61 Ų | 61 | 110.6 Ų | 110.6 | 43% | 0.427 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -37.6 | 172.7 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | A40 L46 T47 | A40-S43 PolarHBondContact O-OG 2.91Å; A40-S43 VanDerWaalsContact O-OG 3.06Å; S43-L46 PolarHBondContact O-N 3.33Å; S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 PolarHBondContact O-N 3.48Å; S43-T47 PolarHBondContact O-OG1 3.17Å |
| 44 | D | 76.1 | Confident | 61.7 | Low | 104 Ų | 104 | 109.7 Ų | 109.7 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.8 | -40.6 | -177.7 | -63.6 | -15.1 | 0 | 0 | 0 | 111 | D42 L46 T47 E48 | D42-D44 VanDerWaalsContact C-N 3.31Å; D42-D44 PolarHBondContact O-N 3.35Å; D44-L46 PolarHBondContact O-N 3.41Å; D44-T47 PolarHBondContact O-N 3.22Å; D44-E48 WeakPolarHBondContact O-CB 3.49Å; D44-E48 PolarHBondContact O-N 3.35Å |
| 45 | K | 78.6 | Confident | 62.7 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 174.9 | -76.7 | 177.2 | -176.6 | 168.1 | 0 | 113.4 | F49 | K45-F49 WeakPolarHBondContact O-CB 3.39Å; K45-F49 PolarHBondContact O-N 3.35Å |
| 46 | L | 70.6 | Confident | 63.8 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.3 | -40.2 | 176.1 | -72.7 | 179.3 | 0 | 0 | 0 | 110.9 | D42 S43 D44 E48 F49 L50 | D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.12Å; S43-L46 PolarHBondContact O-N 3.33Å; D44-L46 PolarHBondContact O-N 3.41Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-F49 PolarHBondContact O-N 3.16Å; L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.19Å |
| 47 | T | 76.3 | Confident | 64.6 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -41.7 | 176.2 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | S43 D44 L50 N51 | S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 PolarHBondContact O-N 3.48Å; S43-T47 PolarHBondContact O-OG1 3.17Å; D44-T47 PolarHBondContact O-N 3.22Å; T47-L50 PolarHBondContact O-N 3.17Å; T47-N51 WeakPolarHBondContact O-CB 3.21Å; T47-N51 PolarHBondContact O-N 2.8Å; T47-N51 PolarHBondContact O-ND2 3.25Å |
| 48 | E | 79.8 | Confident | 65.1 | Low | 135 Ų | 135 | 103.1 Ų | 103.1 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -41.9 | 174.4 | -170.3 | -176.6 | 175.6 | 0 | 0 | 112.2 | D44 L46 K52 | D44-E48 WeakPolarHBondContact O-CB 3.49Å; D44-E48 PolarHBondContact O-N 3.35Å; L46-E48 VanDerWaalsContact C-N 3.35Å; E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 PolarHBondContact O-N 2.9Å |
| 49 | F | 83.6 | Confident | 65.1 | Low | 145 Ų | 145 | 104.7 Ų | 104.7 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.6 | -41.1 | 177.2 | -171.9 | -92.4 | 0 | 0 | 0 | 112.3 | K45 L46 K52 A53 | K45-F49 WeakPolarHBondContact O-CB 3.39Å; K45-F49 PolarHBondContact O-N 3.35Å; L46-F49 PolarHBondContact O-N 3.16Å; F49-K52 PolarHBondContact O-N 3.26Å; F49-A53 PolarHBondContact O-N 2.79Å; F49-A53 VanDerWaalsContact O-N 3.12Å |
| 50 | L | 80.7 | Confident | 64.6 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -46.7 | 176.8 | -70.8 | 172.6 | 0 | 0 | 0 | 111.2 | L46 T47 K52 A53 E54 | L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.19Å; T47-L50 PolarHBondContact O-N 3.17Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.93Å; L50-A53 PolarHBondContact O-N 3.22Å; L50-E54 PolarHBondContact O-N 2.97Å |
| 51 | N | 78.9 | Confident | 64 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -36.9 | 176.2 | -68.2 | -18.5 | 0 | 0 | 0 | 111.7 | T47 A53 E54 H55 | T47-N51 WeakPolarHBondContact O-CB 3.21Å; T47-N51 PolarHBondContact O-N 2.8Å; T47-N51 PolarHBondContact O-ND2 3.25Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 2.95Å; N51-E54 PolarHBondContact O-N 3.26Å; N51-H55 PolarHBondContact O-CD2 3.43Å; N51-H55 PolarHBondContact O-N 3.36Å |
| 52 | K | 82.4 | Confident | 62.5 | Low | 156 Ų | 156 | 117.4 Ų | 117.4 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -34.9 | 177.1 | -176 | 165.2 | -177.9 | 168.8 | 0 | 113.1 | E48 F49 L50 | E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 PolarHBondContact O-N 2.9Å; F49-K52 PolarHBondContact O-N 3.26Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.93Å |
| 53 | A | 62.1 | Low | 61 | Low | 49 Ų | 49 | 123.1 Ų | 123.1 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.4 | -31.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F49 L50 N51 S56 | F49-A53 PolarHBondContact O-N 2.79Å; F49-A53 VanDerWaalsContact O-N 3.12Å; L50-A53 PolarHBondContact O-N 3.22Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 2.95Å; A53-S56 PolarHBondContact O-OG 2.86Å |
| 54 | E | 63.2 | Low | 58.7 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.9 | -40.5 | 175.9 | -68.5 | -173.4 | 175.6 | 0 | 0 | 111.8 | L50 N51 S56 T57 | L50-E54 PolarHBondContact O-N 2.97Å; N51-E54 PolarHBondContact O-N 3.26Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.4Å; E54-T57 PolarHBondContact O-N 3.14Å; E54-T57 PolarHBondContact O-OG1 2.84Å |
| 55 | H | 51.8 | Low | 56.2 | Low | 131 Ų | 131 | 128 Ų | 128 | 61% | 0.606 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.7 | -29.1 | 178.4 | -78.1 | -65.2 | 0 | 0 | 0 | 114.1 | N51 T57 I58 | N51-H55 PolarHBondContact O-CD2 3.43Å; N51-H55 PolarHBondContact O-N 3.36Å; H55-T57 PolarHBondContact O-N 2.74Å; H55-T57 VanDerWaalsContact O-N 3.16Å; H55-I58 PolarHBondContact O-N 3.39Å |
| 56 | S | 55.9 | Low | 53.9 | Low | 75 Ų | 75 | 130.1 Ų | 130.1 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -8.6 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | A53 E54 | A53-S56 PolarHBondContact O-OG 2.86Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.4Å |
| 57 | T | 48.5 | Very low | 51.8 | Low | 111 Ų | 111 | 129.1 Ų | 129.1 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -9.7 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | E54 H55 | E54-T57 PolarHBondContact O-N 3.14Å; E54-T57 PolarHBondContact O-OG1 2.84Å; H55-T57 PolarHBondContact O-N 2.74Å; H55-T57 VanDerWaalsContact O-N 3.16Å |
| 58 | I | 47.2 | Very low | 49.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -21.3 | -176.4 | -60.9 | 177 | 0 | 0 | 0 | 112.1 | H55 | H55-I58 PolarHBondContact O-N 3.39Š|
| 59 | E | 38.8 | Very low | 47.3 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -6.6 | -174.6 | -66.8 | -170 | 164.6 | 0 | 0 | 115.5 | K61 | E59-K61 PolarHBondContact O-N 2.81Š|
| 60 | D | 38.6 | Very low | 44.7 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 22.9 | 177.3 | -71.5 | -21.2 | 0 | 0 | 0 | 113.5 | ||
| 61 | K | 35.3 | Very low | 41.9 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -107.9 | 27.1 | -179.8 | -105.7 | -165.8 | -176.3 | 164.3 | 0 | 115.2 | E59 | E59-K61 PolarHBondContact O-N 2.81Š| ||
| 62 | D | 28.5 | Very low | 39.3 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -144.6 | 82.3 | 172.5 | -76.2 | -44.7 | 0 | 0 | 0 | 110.9 | ||||
| 63 | F | 31 | Very low | 36.7 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 91% | 0.912 | 75% | 0.745 | S | S | * | * | trans | -175.6 | 72 | 145.2 | -120.4 | -92.2 | 0 | 0 | 0 | 110.6 | ||||
| 64 | C | 24.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -106.5 | 115.5 | 155.2 | -81.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 65 | D | 24.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 164.3 | 100.4 | 144.7 | -82.9 | -17.6 | 0 | 0 | 0 | 109.4 | ||||
| 66 | N | 28.8 | Very low | 32.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | -164.8 | 117.2 | 114.9 | -130.2 | -18.1 | 0 | 0 | 0 | 112.6 | |||||
| 67 | S | 28.4 | Very low | 30.8 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -58.7 | 133.8 | 161.2 | 35.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 68 | Q | 35.1 | Very low | 30 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | -176 | 113.3 | 116.8 | -97.7 | 178.1 | -0.2 | 0 | 0 | 110.8 | |||||
| 69 | S | 25.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -84.7 | 131.7 | 177.3 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | S | 28.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -125.6 | 95 | 161.6 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 71 | V | 23.3 | Very low | 28.3 | Very low | 107 Ų | 107 | 146 Ų | 146 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | 47.1 | 113.5 | 123.5 | -178.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 72 | Y | 23.3 | Very low | 28.1 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 66.5 | 106.5 | 161.5 | -52.4 | -53 | 0 | 0 | 0 | 120.2 | ||||
| 73 | K | 27.8 | Very low | 28.1 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -170.2 | 133.7 | 100 | -102.1 | -176.7 | 179.1 | -178.3 | 0 | 112.3 | N75 | K73-N75 PolarHBondContact O-N 3.08Š| |||
| 74 | T | 23.1 | Very low | 28.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | -55 | 118.2 | 173.5 | 45.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 75 | N | 30.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -144.3 | 94.4 | 150 | -80.7 | -31.7 | 0 | 0 | 0 | 104.6 | K73 D77 | K73-N75 PolarHBondContact O-N 3.08Å; N75-D77 PolarHBondContact O-N 2.8Å | ||
| 76 | D | 27.4 | Very low | 29.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 67.7 | -175.4 | -71.4 | -42.5 | 0 | 0 | 0 | 111.4 | S78 | D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.8Å | ||
| 77 | D | 27.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -94.6 | 66 | 156.2 | -79.8 | -37.8 | 0 | 0 | 0 | 108 | N75 K79 | N75-D77 PolarHBondContact O-N 2.8Å; D77-K79 PolarHBondContact O-N 2.87Å | ||
| 78 | S | 32.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -74.6 | 84.7 | 168.8 | 45 | 0 | 0 | 0 | 0 | 109 | D76 S80 | D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.8Å; S78-S80 PolarHBondContact O-N 2.79Å | ||
| 79 | K | 32.5 | Very low | 29.2 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -62.8 | 79.2 | 162.3 | -169.9 | 172.3 | -174 | 174.9 | 0 | 108.3 | D77 T81 | D77-K79 PolarHBondContact O-N 2.87Å; K79-T81 PolarHBondContact O-N 3.37Å | ||
| 80 | S | 29.7 | Very low | 29.5 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | trans | -71.7 | 97 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | S78 V82 | S78-S80 PolarHBondContact O-N 2.79Å; S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.18Å; S80-V82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | T | 25.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -68.4 | 90.8 | 161.1 | 47 | 0 | 0 | 0 | 0 | 107.3 | K79 | K79-T81 PolarHBondContact O-N 3.37Š| ||
| 82 | V | 31.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 104.7 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 106 | S80 | S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.18Å; S80-V82 VanDerWaalsContact O-N 3.07Å | ||
| 83 | D | 28.2 | Very low | 30 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -53.5 | 127 | 172.4 | -73.1 | -46.1 | 0 | 0 | 0 | 110.2 | S85 | D83-S85 PolarHBondContact O-N 3.18Š| ||
| 84 | P | 35.5 | Very low | 30 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 101.9 | 172 | 28.1 | -29.5 | 0 | 0 | 0 | 108.5 | ||||
| 85 | S | 29.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.1 | 166.6 | -44.3 | 0 | 0 | 0 | 0 | 109.5 | D83 I87 | D83-S85 PolarHBondContact O-N 3.18Å; S85-I87 PolarHBondContact O-N 2.89Å |
| 86 | P | 35.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.2 | -176.5 | -17 | 30.1 | 0 | 0 | 0 | 111.2 | S88 | P86-S88 PolarHBondContact O-N 3.32Š|
| 87 | I | 35.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.5 | 170.2 | -67.3 | 171.8 | 0 | 0 | 0 | 108.3 | S85 | S85-I87 PolarHBondContact O-N 2.89Š|
| 88 | S | 31.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.9 | 179.5 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | P86 F90 | P86-S88 PolarHBondContact O-N 3.32Å; S88-F90 PolarHBondContact O-N 3.15Å |
| 89 | N | 27.6 | Very low | 30.4 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 122.1 | 171.4 | -60.2 | -30.3 | 0 | 0 | 0 | 113.1 | ||
| 90 | F | 31.5 | Very low | 30.3 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -92.9 | 115.1 | 154.8 | -101.4 | -91.2 | 0 | 0 | 0 | 108.6 | S88 | S88-F90 PolarHBondContact O-N 3.15Š| ||
| 91 | Q | 27.2 | Very low | 30.7 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 131.8 | 159.6 | -85.9 | 171.2 | -91.8 | 0 | 0 | 108.8 | ||||
| 92 | E | 32.5 | Very low | 31.4 | Very low | 193 Ų | 193 | 151 Ų | 151 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -135.9 | 133.6 | 150.5 | -146.8 | 171.3 | -160.5 | 0 | 0 | 109.9 | ||||
| 93 | N | 27.1 | Very low | 31.8 | Very low | 140 Ų | 140 | 154 Ų | 154 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | -76.6 | 140.3 | -158.6 | -68.7 | -41.4 | 0 | 0 | 0 | 112.6 | ||||
| 94 | S | 26.1 | Very low | 32.4 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -72.5 | 123 | 167.2 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 95 | S | 28.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -160.4 | 117.3 | 150.5 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 96 | G | 30.1 | Very low | 33.7 | Very low | 80 Ų | 80 | 159.8 Ų | 159.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | 155.8 | 76.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D98 | G96-D98 PolarHBondContact O-N 3.32Š| ||
| 97 | K | 25.9 | Very low | 34.6 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -64.1 | 120.9 | 162.5 | -80 | 170.1 | 172.9 | 164.3 | 0 | 107.5 | ||||
| 98 | D | 32.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -160.4 | 156.8 | 143.4 | -94.7 | -30.9 | 0 | 0 | 0 | 111.7 | G96 | G96-D98 PolarHBondContact O-N 3.32Š| ||
| 99 | K | 33.6 | Very low | 36.8 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -78.6 | 141.8 | -143.1 | -63.5 | 179.5 | 173.8 | 178.8 | 0 | 115.1 | E101 | K99-E101 PolarHBondContact O-N 3.43Š| ||
| 100 | F | 30.8 | Very low | 38.6 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -4.9 | 104 | 152.1 | -89 | -106 | 0 | 0 | 0 | 116.5 | ||||
| 101 | E | 38.5 | Very low | 39.8 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -132.7 | 128.9 | 134 | -85.3 | -150.2 | 163.4 | 0 | 0 | 109.4 | K99 K103 | K99-E101 PolarHBondContact O-N 3.43Å; E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 2.89Å | ||
| 102 | E | 40 | Very low | 42.1 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 70.5 | -168.2 | -167.6 | -176.7 | 162 | 0 | 0 | 112.3 | R104 | E102-R104 PolarHBondContact O-N 3.22Š| ||
| 103 | K | 40.2 | Very low | 44 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 109.8 | 161.9 | -73.7 | -179.3 | -178.5 | 172.6 | 0 | 107.4 | E101 V105 | E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 2.89Å; K103-V105 VanDerWaalsContact C-N 3.29Å; K103-V105 PolarHBondContact O-N 3.02Å | ||
| 104 | R | 41.5 | Very low | 46.4 | Very low | 220 Ų | 220 | 145 Ų | 145 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -53 | 91.3 | 175.6 | -63.6 | -177.1 | -171.6 | 131.8 | 3.5 | 110 | E102 V106 | E102-R104 PolarHBondContact O-N 3.22Å; R104-V106 VanDerWaalsContact C-N 3.33Å; R104-V106 PolarHBondContact O-N 3.05Å | ||
| 105 | V | 43.9 | Very low | 48.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -69 | 100.9 | 163.6 | 179.5 | 0 | 0 | 0 | 0 | 104.4 | K103 S107 | K103-V105 VanDerWaalsContact C-N 3.29Å; K103-V105 PolarHBondContact O-N 3.02Å; V105-S107 PolarHBondContact O-N 3.28Å | ||
| 106 | V | 48.3 | Very low | 50.7 | Low | 131 Ų | 131 | 138.9 Ų | 138.9 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -61.8 | 96 | 168 | 178.7 | 0 | 0 | 0 | 0 | 105 | R104 S108 | R104-V106 VanDerWaalsContact C-N 3.33Å; R104-V106 PolarHBondContact O-N 3.05Å; V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.13Å | ||
| 107 | S | 53.6 | Low | 52.8 | Low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | -58.8 | 101.9 | 170.8 | 170.3 | 0 | 0 | 0 | 0 | 105.9 | V105 V109 | V105-S107 PolarHBondContact O-N 3.28Å; S107-V109 PolarHBondContact O-N 3.03Å; S107-V109 VanDerWaalsContact O-N 3.07Å | ||
| 108 | S | 54.8 | Low | 55.2 | Low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -54.1 | 117.8 | 164.5 | -174.8 | 0 | 0 | 0 | 0 | 105.6 | V106 S110 | V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.13Å; S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.07Å | ||
| 109 | V | 59.9 | Low | 57.4 | Low | 133 Ų | 133 | 132.5 Ų | 132.5 | 81% | 0.806 | 68% | 0.68 | S | S | * | * | trans | -59.8 | 102 | -175.5 | -157.1 | 0 | 0 | 0 | 0 | 106.3 | S107 F111 | S107-V109 PolarHBondContact O-N 3.03Å; S107-V109 VanDerWaalsContact O-N 3.07Å; V109-F111 PolarHBondContact O-N 2.88Å; V109-F111 VanDerWaalsContact O-N 3.08Å | ||
| 110 | S | 64.1 | Low | 59.2 | Low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -62.4 | 118.7 | -176.3 | 56.2 | 0 | 0 | 0 | 0 | 107.1 | S108 V112 | S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.07Å; S110-V112 VanDerWaalsContact C-N 3.33Å; S110-V112 WeakPolarHBondContact O-CG2 3.39Å; S110-V112 PolarHBondContact O-N 3.43Å | ||
| 111 | F | 57.8 | Low | 61.4 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 54% | 0.544 | 65% | 0.649 | S | S | . | * | trans | -71.2 | 90.8 | -175.8 | -154.3 | -117.5 | 0 | 0 | 0 | 108.8 | V109 M116 F119 | V109-F111 PolarHBondContact O-N 2.88Å; V109-F111 VanDerWaalsContact O-N 3.08Å; F111-M116 HydrophobicContact CD1-CG 3.85Å; F111-M116 HydrophobicContact CD1-SD 4.1Å; F111-M116 HydrophobicContact CE1-CE 3.54Å; F111-M116 HydrophobicContact CE1-CG 3.3Å; F111-M116 HydrophobicContact CE1-SD 2.99Å; F111-M116 WeakPolarHBondContact CE1-SD 3.39Å; F111-M116 HydrophobicContact CE2-SD 4.07Å; F111-M116 HydrophobicContact CZ-CE 3.92Å; F111-M116 HydrophobicContact CZ-CG 3.76Å; F111-M116 HydrophobicContact CZ-SD 2.98Å; F111-M116 WeakPolarHBondContact CZ-SD 3.43Å; F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 HydrophobicContact CZ-CD1 4.35Å | ||
| 112 | V | 76.1 | Confident | 63.3 | Low | 73 Ų | 73 | 123.1 Ų | 123.1 | 44% | 0.442 | 64% | 0.641 | S | S | . | * | trans | -75.8 | 128.5 | -179.7 | -167 | 0 | 0 | 0 | 0 | 107.6 | S110 W114 T115 | S110-V112 VanDerWaalsContact C-N 3.33Å; S110-V112 WeakPolarHBondContact O-CG2 3.39Å; S110-V112 PolarHBondContact O-N 3.43Å; V112-W114 PolarHBondContact O-N 3.08Å; V112-T115 HydrophobicContact CB-CG2 4.4Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.85Å | ||
| 113 | P | 71 | Confident | 65 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -27.7 | -174.9 | -30.4 | 34.9 | 0 | 0 | 0 | 115.6 | M116 | P113-M116 WeakPolarHBondContact O-CB 3.24Š|
| 114 | W | 77.7 | Confident | 66.7 | Low | 210 Ų | 210 | 114.4 Ų | 114.4 | 80% | 0.795 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -43.2 | 174.5 | 129.8 | 5.8 | 0 | 0 | 0 | 111.7 | V112 M116 S117 | V112-W114 PolarHBondContact O-N 3.08Å; W114-M116 PolarHBondContact O-N 2.95Å; W114-M116 VanDerWaalsContact O-N 3.14Å; W114-S117 PolarHBondContact O-N 3.49Å |
| 115 | T | 73.2 | Confident | 68.2 | Low | 56 Ų | 56 | 106.5 Ų | 106.5 | 34% | 0.344 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -14.4 | -172.7 | 60 | 0 | 0 | 0 | 0 | 112.4 | V112 S117 L118 F119 | V112-T115 HydrophobicContact CB-CG2 4.4Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.85Å; T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.16Å; T115-L118 PolarHBondContact O-N 3.42Å; T115-F119 PolarHBondContact O-N 3.03Å |
| 116 | M | 72.3 | Confident | 69.6 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 30% | 0.296 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -54.3 | -45 | 174.5 | -96.5 | -67.6 | -109.5 | 0 | 0 | 113.5 | F111 P113 W114 L118 F119 L120 | F111-M116 HydrophobicContact CD1-CG 3.85Å; F111-M116 HydrophobicContact CD1-SD 4.1Å; F111-M116 HydrophobicContact CE1-CE 3.54Å; F111-M116 HydrophobicContact CE1-CG 3.3Å; F111-M116 HydrophobicContact CE1-SD 2.99Å; F111-M116 WeakPolarHBondContact CE1-SD 3.39Å; F111-M116 HydrophobicContact CE2-SD 4.07Å; F111-M116 HydrophobicContact CZ-CE 3.92Å; F111-M116 HydrophobicContact CZ-CG 3.76Å; F111-M116 HydrophobicContact CZ-SD 2.98Å; F111-M116 WeakPolarHBondContact CZ-SD 3.43Å; P113-M116 WeakPolarHBondContact O-CB 3.24Å; W114-M116 PolarHBondContact O-N 2.95Å; W114-M116 VanDerWaalsContact O-N 3.14Å; M116-L118 PolarHBondContact O-N 3.02Å; M116-F119 PolarHBondContact O-N 3.04Å; M116-F119 VanDerWaalsContact O-N 3.15Å; M116-L120 HydrophobicContact CE-CD1 4.16Å; M116-L120 HydrophobicContact CE-CD2 4.15Å; M116-L120 HydrophobicContact CE-CG 4.34Å; M116-L120 WeakPolarHBondContact O-CB 3.46Å; M116-L120 VanDerWaalsContact O-CG 3.24Å; M116-L120 WeakPolarHBondContact O-CG 3.22Å; M116-L120 PolarHBondContact O-N 2.7Å; M116-L120 HydrophobicContact SD-CD1 4.36Å; M116-L120 HydrophobicContact SD-CD2 4.25Å; M116-L120 HydrophobicContact SD-CG 4.12Å |
| 117 | S | 74.1 | Confident | 70.8 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 62% | 0.615 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.9 | -37.1 | -178.4 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | W114 T115 K121 | W114-S117 PolarHBondContact O-N 3.49Å; T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.16Å; S117-K121 VanDerWaalsContact O-CB 3.22Å; S117-K121 WeakPolarHBondContact O-CB 3.16Å; S117-K121 PolarHBondContact O-N 3.44Å |
| 118 | L | 76.6 | Confident | 71.6 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.2 | -44.6 | 177.2 | -68.5 | 172.5 | 0 | 0 | 0 | 111.9 | T115 M116 K121 E122 | T115-L118 PolarHBondContact O-N 3.42Å; M116-L118 PolarHBondContact O-N 3.02Å; L118-K121 PolarHBondContact O-N 3.28Å; L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 3.45Å |
| 119 | F | 76.9 | Confident | 72.3 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 47% | 0.465 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.3 | -177.1 | -105.2 | 0 | 0 | 0 | 112.1 | F111 T115 M116 K121 E122 M123 | F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 HydrophobicContact CZ-CD1 4.35Å; T115-F119 PolarHBondContact O-N 3.03Å; M116-F119 PolarHBondContact O-N 3.04Å; M116-F119 VanDerWaalsContact O-N 3.15Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.33Å; F119-E122 PolarHBondContact O-N 3.31Å; F119-M123 HydrophobicContact CD1-CG 4.47Å; F119-M123 HydrophobicContact CD1-SD 3.87Å; F119-M123 HydrophobicContact CE1-CG 4.14Å; F119-M123 HydrophobicContact CE1-SD 3.16Å; F119-M123 WeakPolarHBondContact CE1-SD 2.98Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CE2-SD 4.28Å; F119-M123 HydrophobicContact CZ-CG 4.12Å; F119-M123 HydrophobicContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact O-CG 2.99Å; F119-M123 PolarHBondContact O-N 3.08Å |
| 120 | L | 72.4 | Confident | 72.9 | Confident | 70 Ų | 70 | 104.2 Ų | 104.2 | 37% | 0.366 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 177.5 | -62.9 | 178.8 | 0 | 0 | 0 | 112 | M116 D124 I125 | M116-L120 HydrophobicContact CE-CD1 4.16Å; M116-L120 HydrophobicContact CE-CD2 4.15Å; M116-L120 HydrophobicContact CE-CG 4.34Å; M116-L120 WeakPolarHBondContact O-CB 3.46Å; M116-L120 VanDerWaalsContact O-CG 3.24Å; M116-L120 WeakPolarHBondContact O-CG 3.22Å; M116-L120 PolarHBondContact O-N 2.7Å; M116-L120 HydrophobicContact SD-CD1 4.36Å; M116-L120 HydrophobicContact SD-CD2 4.25Å; M116-L120 HydrophobicContact SD-CG 4.12Å; L120-D124 PolarHBondContact O-N 3.09Å; L120-I125 HydrophobicContact CB-CD1 3.74Å; L120-I125 HydrophobicContact CD2-CD1 3.22Å; L120-I125 HydrophobicContact CG-CD1 4Å; L120-I125 WeakPolarHBondContact O-CG1 3.4Å |
| 121 | K | 76.6 | Confident | 73.3 | Confident | 162 Ų | 162 | 107.5 Ų | 107.5 | 70% | 0.704 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -42.5 | 174.1 | -174.7 | 177.7 | -179.6 | -179 | 0 | 111.7 | S117 L118 F119 M123 D124 | S117-K121 VanDerWaalsContact O-CB 3.22Å; S117-K121 WeakPolarHBondContact O-CB 3.16Å; S117-K121 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 3.28Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.33Å; K121-M123 VanDerWaalsContact C-N 3.31Å; K121-M123 PolarHBondContact O-N 3.2Å; K121-D124 PolarHBondContact O-N 2.93Å |
| 122 | E | 79 | Confident | 73.6 | Confident | 144 Ų | 144 | 107.2 Ų | 107.2 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 175.9 | -171.5 | 64.4 | -156.8 | 0 | 0 | 111.6 | L118 F119 D124 | L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 3.45Å; F119-E122 PolarHBondContact O-N 3.31Å; E122-D124 PolarHBondContact O-N 3.18Å; E122-D124 VanDerWaalsContact O-N 3.16Å |
| 123 | M | 75.8 | Confident | 73.3 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 50% | 0.502 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71 | -0.8 | 174.2 | -71.4 | -170 | 78.6 | 0 | 0 | 113.9 | F119 K121 I125 | F119-M123 HydrophobicContact CD1-CG 4.47Å; F119-M123 HydrophobicContact CD1-SD 3.87Å; F119-M123 HydrophobicContact CE1-CG 4.14Å; F119-M123 HydrophobicContact CE1-SD 3.16Å; F119-M123 WeakPolarHBondContact CE1-SD 2.98Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CE2-SD 4.28Å; F119-M123 HydrophobicContact CZ-CG 4.12Å; F119-M123 HydrophobicContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact O-CG 2.99Å; F119-M123 PolarHBondContact O-N 3.08Å; K121-M123 VanDerWaalsContact C-N 3.31Å; K121-M123 PolarHBondContact O-N 3.2Å; M123-I125 HydrophobicContact CB-CD1 4.17Å; M123-I125 HydrophobicContact CB-CG1 3.72Å; M123-I125 PolarHBondContact O-N 3.03Å |
| 124 | D | 74.8 | Confident | 73.4 | Confident | 71 Ų | 71 | 111.9 Ų | 111.9 | 38% | 0.38 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 48.4 | 38.3 | 175.7 | -122.2 | -9.4 | 0 | 0 | 0 | 112.1 | L120 K121 E122 S126 K127 | L120-D124 PolarHBondContact O-N 3.09Å; K121-D124 PolarHBondContact O-N 2.93Å; E122-D124 PolarHBondContact O-N 3.18Å; E122-D124 VanDerWaalsContact O-N 3.16Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-K127 HydrophobicContact CB-CD 4.32Å; D124-K127 WeakPolarHBondContact O-CB 3.47Å; D124-K127 PolarHBondContact O-N 3.07Å; D124-K127 WeakPolarHBondContact OD2-CD 3.43Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.39Å; D124-K127 IonicContact OD2-NZ 2.7Å; D124-K127 PolarHBondContact OD2-NZ 2.81Å |
| 125 | I | 72.4 | Confident | 73.3 | Confident | 54 Ų | 54 | 105.2 Ų | 105.2 | 28% | 0.277 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.5 | -29.8 | -167.5 | -63.2 | 174.3 | 0 | 0 | 0 | 112.2 | L120 M123 K127 L128 L129 | L120-I125 HydrophobicContact CB-CD1 3.74Å; L120-I125 HydrophobicContact CD2-CD1 3.22Å; L120-I125 HydrophobicContact CG-CD1 4Å; L120-I125 WeakPolarHBondContact O-CG1 3.4Å; M123-I125 HydrophobicContact CB-CD1 4.17Å; M123-I125 HydrophobicContact CB-CG1 3.72Å; M123-I125 PolarHBondContact O-N 3.03Å; I125-K127 VanDerWaalsContact C-N 3.26Å; I125-K127 PolarHBondContact O-N 3.46Å; I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 2.83Å; I125-L128 VanDerWaalsContact O-N 3.09Å; I125-L129 HydrophobicContact CG2-CD1 4.28Å; I125-L129 HydrophobicContact CG2-CG 4.25Å; I125-L129 WeakPolarHBondContact O-CG 3.43Å; I125-L129 PolarHBondContact O-N 2.86Å |
| 126 | S | 73.4 | Confident | 73.7 | Confident | 91 Ų | 91 | 108.2 Ų | 108.2 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.9 | -39.9 | 174.1 | -47.5 | 0 | 0 | 0 | 0 | 112.3 | D124 L129 S130 | D124-S126 PolarHBondContact O-N 2.87Å; S126-L129 PolarHBondContact O-N 2.91Å; S126-S130 PolarHBondContact O-N 3.26Å; S126-S130 VanDerWaalsContact O-N 3.08Å; S126-S130 PolarHBondContact O-OG 3.44Å |
| 127 | K | 74.7 | Confident | 74.2 | Confident | 128 Ų | 128 | 112 Ų | 112 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -38.4 | 176.1 | -67.8 | -179.8 | -176.1 | 162.8 | 0 | 111.7 | D124 I125 L129 S130 E131 | D124-K127 HydrophobicContact CB-CD 4.32Å; D124-K127 WeakPolarHBondContact O-CB 3.47Å; D124-K127 PolarHBondContact O-N 3.07Å; D124-K127 WeakPolarHBondContact OD2-CD 3.43Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.39Å; D124-K127 IonicContact OD2-NZ 2.7Å; D124-K127 PolarHBondContact OD2-NZ 2.81Å; I125-K127 VanDerWaalsContact C-N 3.26Å; I125-K127 PolarHBondContact O-N 3.46Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 PolarHBondContact O-N 3.05Å; K127-S130 PolarHBondContact O-N 3.34Å; K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 PolarHBondContact O-N 2.88Å |
| 128 | L | 70.1 | Confident | 74.9 | Confident | 105 Ų | 105 | 114.5 Ų | 114.5 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.2 | -36 | 178.2 | -75.4 | -86.1 | 0 | 0 | 0 | 111 | I125 R132 | I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 2.83Å; I125-L128 VanDerWaalsContact O-N 3.09Å; L128-R132 PolarHBondContact O-N 2.74Å |
| 129 | L | 69.6 | Low | 75.6 | Confident | 117 Ų | 117 | 112 Ų | 112 | 61% | 0.613 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.8 | -38.8 | 173.4 | -67 | 174.5 | 0 | 0 | 0 | 111.9 | I125 S126 K127 R132 | I125-L129 HydrophobicContact CG2-CD1 4.28Å; I125-L129 HydrophobicContact CG2-CG 4.25Å; I125-L129 WeakPolarHBondContact O-CG 3.43Å; I125-L129 PolarHBondContact O-N 2.86Å; S126-L129 PolarHBondContact O-N 2.91Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 PolarHBondContact O-N 3.05Å; L129-R132 WeakPolarHBondContact O-CB 3.35Å; L129-R132 PolarHBondContact O-N 3.16Å |
| 130 | S | 73 | Confident | 76.3 | Confident | 108 Ų | 108 | 114.2 Ų | 114.2 | 76% | 0.755 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.2 | -29.5 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 114 | S126 K127 R132 | S126-S130 PolarHBondContact O-N 3.26Å; S126-S130 VanDerWaalsContact O-N 3.08Å; S126-S130 PolarHBondContact O-OG 3.44Å; K127-S130 PolarHBondContact O-N 3.34Å; S130-R132 VanDerWaalsContact C-N 3.27Å |
| 131 | E | 71.4 | Confident | 77.1 | Confident | 160 Ų | 160 | 114.1 Ų | 114.1 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -7.2 | 177 | -167.6 | 174.1 | -175.1 | 0 | 0 | 112.8 | K127 S133 | K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 PolarHBondContact O-N 2.88Å; E131-S133 PolarHBondContact O-N 3.2Å |
| 132 | R | 65.4 | Low | 77.7 | Confident | 118 Ų | 118 | 107.8 Ų | 107.8 | 45% | 0.445 | 57% | 0.567 | S | S | . | * | trans | -61.9 | 104.6 | 179.1 | -168.3 | 172.5 | -163 | -179.4 | 4.3 | 110 | L128 L129 S130 E137 | L128-R132 PolarHBondContact O-N 2.74Å; L129-R132 WeakPolarHBondContact O-CB 3.35Å; L129-R132 PolarHBondContact O-N 3.16Å; S130-R132 VanDerWaalsContact C-N 3.27Å; R132-E137 IonicContact CZ-OE1 3.29Å; R132-E137 VanDerWaalsContact CZ-OE1 3.29Å; R132-E137 IonicContact CZ-OE2 3.18Å; R132-E137 IonicContact NH1-OE1 2.74Å; R132-E137 PolarHBondContact NH1-OE1 3.4Å; R132-E137 IonicContact NH1-OE2 2.81Å; R132-E137 PolarHBondContact NH1-OE2 3.36Å; R132-E137 IonicContact NH2-OE1 3.67Å; R132-E137 IonicContact NH2-OE2 2.83Å; R132-E137 PolarHBondContact NH2-OE2 2.72Å | ||
| 133 | S | 69.4 | Low | 78.4 | Confident | 80 Ų | 80 | 105.5 Ų | 105.5 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | trans | -60.4 | 152.6 | 173.9 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | E131 S135 | E131-S133 PolarHBondContact O-N 3.2Å; S133-S135 PolarHBondContact O-N 3Å | ||
| 134 | E | 73 | Confident | 79.1 | Confident | 205 Ų | 205 | 103.7 Ų | 103.7 | 96% | 0.958 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -60.2 | 10.4 | -178.3 | -58.7 | -170.1 | 172.8 | 0 | 0 | 115.1 | ||
| 135 | S | 74.5 | Confident | 79.9 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -63.5 | 140.2 | 171.5 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | S133 E137 | S133-S135 PolarHBondContact O-N 3Å; S135-E137 PolarHBondContact O-N 2.91Å |
| 136 | P | 81.7 | Confident | 80.8 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 77% | 0.766 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136 | -178.6 | 24.2 | -34.1 | 0 | 0 | 0 | 110.4 | K138 | P136-K138 PolarHBondContact O-N 3.41Å; P136-K138 VanDerWaalsContact O-N 3.16Å |
| 137 | E | 83.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 119.1 | 179.8 | -53.7 | -153.4 | 178.2 | 0 | 0 | 110.7 | R132 S135 S139 | R132-E137 IonicContact CZ-OE1 3.29Å; R132-E137 VanDerWaalsContact CZ-OE1 3.29Å; R132-E137 IonicContact CZ-OE2 3.18Å; R132-E137 IonicContact NH1-OE1 2.74Å; R132-E137 PolarHBondContact NH1-OE1 3.4Å; R132-E137 IonicContact NH1-OE2 2.81Å; R132-E137 PolarHBondContact NH1-OE2 3.36Å; R132-E137 IonicContact NH2-OE1 3.67Å; R132-E137 IonicContact NH2-OE2 2.83Å; R132-E137 PolarHBondContact NH2-OE2 2.72Å; S135-E137 PolarHBondContact O-N 2.91Å; E137-S139 PolarHBondContact O-N 3.16Å |
| 138 | K | 88.4 | Confident | 82.6 | Confident | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -67 | 131.6 | 172.7 | -67.7 | 177 | -175.6 | 170.1 | 0 | 109 | P136 T142 L143 | P136-K138 PolarHBondContact O-N 3.41Å; P136-K138 VanDerWaalsContact O-N 3.16Å; K138-T142 HydrophobicContact CB-CG2 4.49Å; K138-L143 HydrophobicContact CB-CD2 3.88Å; K138-L143 HydrophobicContact CB-CG 4.01Å; K138-L143 HydrophobicContact CD-CD2 4.12Å |
| 139 | S | 91.1 | Very high | 83.6 | Confident | 64 Ų | 64 | 106.8 Ų | 106.8 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -61 | 149.7 | 174.1 | 66 | 0 | 0 | 0 | 0 | 111.5 | E137 T142 L143 | E137-S139 PolarHBondContact O-N 3.16Å; S139-T142 WeakPolarHBondContact O-CA 3.16Å; S139-T142 VanDerWaalsContact O-CB 3.29Å; S139-T142 WeakPolarHBondContact O-CB 3.31Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact OG-OG1 3.44Å; S139-L143 PolarHBondContact O-N 3.5Å |
| 140 | F | 91.9 | Very high | 84.6 | Confident | 151 Ų | 151 | 104.5 Ų | 104.5 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -51.3 | -45.2 | 177.7 | 173.5 | -96.1 | 0 | 0 | 0 | 113.5 | T142 L143 L144 | F140-T142 PolarHBondContact O-N 2.83Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.16Å; F140-L144 HydrophobicContact CE1-CB 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CZ-CD1 3.63Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.29Å; F140-L144 PolarHBondContact O-N 3.39Å |
| 141 | P | 88.9 | Confident | 85.3 | Confident | 68 Ų | 68 | 106.5 Ų | 106.5 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | 175.9 | -25.8 | 35.4 | 0 | 0 | 0 | 112.9 | R145 | P141-R145 VanDerWaalsContact O-CG 3.29Å; P141-R145 WeakPolarHBondContact O-CG 3.02Å; P141-R145 PolarHBondContact O-N 3.07Å; P141-R145 VanDerWaalsContact O-N 3.08Å; P141-R145 PolarHBondContact O-NH1 3.24Å |
| 142 | T | 90 | Very high | 86.1 | Confident | 30 Ų | 30 | 102.8 Ų | 102.8 | 18% | 0.184 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -69.9 | -48.6 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | K138 S139 F140 L144 R145 Y146 | K138-T142 HydrophobicContact CB-CG2 4.49Å; S139-T142 WeakPolarHBondContact O-CA 3.16Å; S139-T142 VanDerWaalsContact O-CB 3.29Å; S139-T142 WeakPolarHBondContact O-CB 3.31Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact OG-OG1 3.44Å; F140-T142 PolarHBondContact O-N 2.83Å; T142-L144 VanDerWaalsContact C-N 3.27Å; T142-L144 PolarHBondContact O-N 2.82Å; T142-R145 PolarHBondContact O-N 3.02Å; T142-R145 PolarHBondContact OG1-NH2 3.44Å; T142-Y146 HydrophobicContact CG2-CD2 3.83Å; T142-Y146 HydrophobicContact CG2-CE2 3.79Å; T142-Y146 WeakPolarHBondContact O-CD2 3.23Å; T142-Y146 PolarHBondContact O-N 3.5Å; T142-Y146 VanDerWaalsContact O-N 3.15Å |
| 143 | L | 93 | Very high | 87.2 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 174.9 | -67.3 | 174 | 0 | 0 | 0 | 111.8 | K138 S139 F140 R145 Y146 S147 | K138-L143 HydrophobicContact CB-CD2 3.88Å; K138-L143 HydrophobicContact CB-CG 4.01Å; K138-L143 HydrophobicContact CD-CD2 4.12Å; S139-L143 PolarHBondContact O-N 3.5Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 2.89Å; L143-Y146 CarbonylContact O-C 3.6Å; L143-Y146 PolarHBondContact O-N 3.22Å; L143-S147 PolarHBondContact O-N 3.45Å |
| 144 | L | 92 | Very high | 88.2 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 178.9 | -175.2 | 139.5 | 0 | 0 | 0 | 111.7 | F140 T142 Y146 S147 I150 | F140-L144 HydrophobicContact CE1-CB 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CZ-CD1 3.63Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.29Å; F140-L144 PolarHBondContact O-N 3.39Å; T142-L144 VanDerWaalsContact C-N 3.27Å; T142-L144 PolarHBondContact O-N 2.82Å; L144-Y146 PolarHBondContact O-N 2.92Å; L144-S147 WeakPolarHBondContact O-CB 3.42Å; L144-S147 PolarHBondContact O-N 2.9Å; L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 3.57Å; L144-I150 HydrophobicContact CD2-CG2 4.44Å; L144-I150 HydrophobicContact CG-CD1 3.45Å; L144-I150 VanDerWaalsContact CG-CD1 3.45Å; L144-I150 WeakPolarHBondContact O-CB 3.29Å |
| 145 | R | 91 | Very high | 88.8 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 178 | -72.6 | -174.1 | -51.5 | -92.1 | 2.9 | 113.9 | P141 T142 L143 S147 Q151 L152 G153 F155 | P141-R145 VanDerWaalsContact O-CG 3.29Å; P141-R145 WeakPolarHBondContact O-CG 3.02Å; P141-R145 PolarHBondContact O-N 3.07Å; P141-R145 VanDerWaalsContact O-N 3.08Å; P141-R145 PolarHBondContact O-NH1 3.24Å; T142-R145 PolarHBondContact O-N 3.02Å; T142-R145 PolarHBondContact OG1-NH2 3.44Å; L143-R145 PolarHBondContact O-N 2.89Å; R145-S147 VanDerWaalsContact C-N 3.29Å; R145-Q151 CarbonylContact O-C 3.6Å; R145-L152 HydrophobicContact CB-CB 4.35Å; R145-L152 HydrophobicContact CG-CB 4.35Å; R145-L152 PolarHBondContact O-N 2.88Å; R145-L152 VanDerWaalsContact O-N 3.07Å; R145-G153 WeakPolarHBondContact CB-O 3.41Å; R145-G153 WeakPolarHBondContact CD-O 3.25Å; R145-G153 PolarHBondContact NE-O 2.87Å; R145-G153 PolarHBondContact O-N 3.08Å; R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 4.49Å |
| 146 | Y | 91.7 | Very high | 89 | Confident | 131 Ų | 131 | 94.6 Ų | 94.6 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.3 | 178.1 | -70.4 | -77.8 | 0 | 0 | 0 | 113.1 | T142 L143 L144 N154 | T142-Y146 HydrophobicContact CG2-CD2 3.83Å; T142-Y146 HydrophobicContact CG2-CE2 3.79Å; T142-Y146 WeakPolarHBondContact O-CD2 3.23Å; T142-Y146 PolarHBondContact O-N 3.5Å; T142-Y146 VanDerWaalsContact O-N 3.15Å; L143-Y146 CarbonylContact O-C 3.6Å; L143-Y146 PolarHBondContact O-N 3.22Å; L144-Y146 PolarHBondContact O-N 2.92Å; Y146-N154 WeakPolarHBondContact OH-CB 3.26Å |
| 147 | S | 94.1 | Very high | 88.8 | Confident | 28 Ų | 28 | 92.8 Ų | 92.8 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -61.9 | 139.1 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | L143 L144 R145 F149 I150 Q151 | L143-S147 PolarHBondContact O-N 3.45Å; L144-S147 WeakPolarHBondContact O-CB 3.42Å; L144-S147 PolarHBondContact O-N 2.9Å; R145-S147 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.35Å; S147-F149 PolarHBondContact OG-N 2.84Å; S147-I150 PolarHBondContact O-N 2.96Å; S147-Q151 PolarHBondContact O-N 3.15Å |
| 148 | P | 91.7 | Very high | 89.1 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 65% | 0.649 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.2 | 173.4 | -26 | 34.6 | 0 | 0 | 0 | 114.2 | Q151 | P148-Q151 VanDerWaalsContact O-CG 3.26Å; P148-Q151 WeakPolarHBondContact O-CG 3.4Å; P148-Q151 PolarHBondContact O-NE2 3.21Å |
| 149 | F | 90.3 | Very high | 89.3 | Confident | 195 Ų | 195 | 91.1 Ų | 91.1 | 86% | 0.855 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -21.5 | -179.3 | -62.3 | -70.1 | 0 | 0 | 0 | 114.2 | S147 | S147-F149 PolarHBondContact O-N 3.35Å; S147-F149 PolarHBondContact OG-N 2.84Å |
| 150 | I | 90.6 | Very high | 89.4 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 35% | 0.354 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -41 | -172.7 | -71.8 | 167.2 | 0 | 0 | 0 | 111.2 | L144 S147 L152 | L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 3.57Å; L144-I150 HydrophobicContact CD2-CG2 4.44Å; L144-I150 HydrophobicContact CG-CD1 3.45Å; L144-I150 VanDerWaalsContact CG-CD1 3.45Å; L144-I150 WeakPolarHBondContact O-CB 3.29Å; S147-I150 PolarHBondContact O-N 2.96Å; I150-L152 HydrophobicContact CG2-CB 4.04Å; I150-L152 HydrophobicContact CG2-CD1 3.46Å; I150-L152 VanDerWaalsContact CG2-CD1 3.46Å; I150-L152 HydrophobicContact CG2-CG 3.49Å; I150-L152 VanDerWaalsContact CG2-CG 3.49Å; I150-L152 PolarHBondContact O-N 3.34Å |
| 151 | Q | 88.9 | Confident | 89.6 | Confident | 150 Ų | 150 | 85 Ų | 85 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | trans | 54.9 | 18.1 | 170.2 | -53.2 | -176.4 | -7 | 0 | 0 | 116 | R145 S147 P148 G153 | R145-Q151 CarbonylContact O-C 3.6Å; S147-Q151 PolarHBondContact O-N 3.15Å; P148-Q151 VanDerWaalsContact O-CG 3.26Å; P148-Q151 WeakPolarHBondContact O-CG 3.4Å; P148-Q151 PolarHBondContact O-NE2 3.21Å; Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 2.83Å | ||
| 152 | L | 87.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | trans | -64.2 | -36.1 | 177.8 | -71.6 | 172 | 0 | 0 | 0 | 111.8 | R145 I150 F155 R158 | R145-L152 HydrophobicContact CB-CB 4.35Å; R145-L152 HydrophobicContact CG-CB 4.35Å; R145-L152 PolarHBondContact O-N 2.88Å; R145-L152 VanDerWaalsContact O-N 3.07Å; I150-L152 HydrophobicContact CG2-CB 4.04Å; I150-L152 HydrophobicContact CG2-CD1 3.46Å; I150-L152 VanDerWaalsContact CG2-CD1 3.46Å; I150-L152 HydrophobicContact CG2-CG 3.49Å; I150-L152 VanDerWaalsContact CG2-CG 3.49Å; I150-L152 PolarHBondContact O-N 3.34Å; L152-F155 HydrophobicContact CB-CE1 3.92Å; L152-F155 HydrophobicContact CB-CZ 3.6Å; L152-F155 HydrophobicContact CD1-CZ 4.01Å; L152-F155 HydrophobicContact CD2-CE1 4.28Å; L152-F155 HydrophobicContact CD2-CZ 4.27Å; L152-F155 HydrophobicContact CG-CZ 4.16Å; L152-R158 VanDerWaalsContact O-CZ 3.3Å; L152-R158 PolarHBondContact O-NH1 3.39Å; L152-R158 PolarHBondContact O-NH2 2.99Å | ||
| 153 | G | 89 | Confident | 90.2 | Very high | 6 Ų | 6 | 82.1 Ų | 82.1 | 6% | 0.062 | 40% | 0.397 | C | S | . | . | trans | 67 | -144.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R145 Q151 | R145-G153 WeakPolarHBondContact CB-O 3.41Å; R145-G153 WeakPolarHBondContact CD-O 3.25Å; R145-G153 PolarHBondContact NE-O 2.87Å; R145-G153 PolarHBondContact O-N 3.08Å; Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 2.83Å | ||
| 154 | N | 89.1 | Confident | 90.4 | Very high | 67 Ų | 67 | 77.6 Ų | 77.6 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | trans | -98.6 | 119.9 | -178.6 | -176.8 | 13.7 | 0 | 0 | 0 | 111.7 | Y146 R156 R158 | Y146-N154 WeakPolarHBondContact OH-CB 3.26Å; N154-R156 WeakPolarHBondContact OD1-CB 3.43Å; N154-R156 PolarHBondContact OD1-N 3.07Å; N154-R158 VanDerWaalsContact O-CD 3.24Å; N154-R158 WeakPolarHBondContact O-CD 3.37Å; N154-R158 VanDerWaalsContact O-CG 3.31Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-NE 3.42Å | ||
| 155 | F | 85.7 | Confident | 90.6 | Very high | 22 Ų | 22 | 76.6 Ų | 76.6 | 10% | 0.096 | 37% | 0.368 | C | S | . | . | trans | -79.1 | -24.8 | 177.6 | -52.4 | -62.3 | 0 | 0 | 0 | 114.2 | R145 L152 S157 R158 L203 K204 P206 | R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 4.49Å; L152-F155 HydrophobicContact CB-CE1 3.92Å; L152-F155 HydrophobicContact CB-CZ 3.6Å; L152-F155 HydrophobicContact CD1-CZ 4.01Å; L152-F155 HydrophobicContact CD2-CE1 4.28Å; L152-F155 HydrophobicContact CD2-CZ 4.27Å; L152-F155 HydrophobicContact CG-CZ 4.16Å; F155-S157 PolarHBondContact O-N 2.8Å; F155-R158 PolarHBondContact O-N 2.89Å; F155-L203 HydrophobicContact CB-CD2 4.37Å; F155-L203 HydrophobicContact CB-CG 4.5Å; F155-L203 HydrophobicContact CD1-CD2 3.84Å; F155-L203 HydrophobicContact CG-CD2 4.34Å; F155-K204 WeakPolarHBondContact CB-O 3.21Å; F155-P206 VanDerWaalsContact CD2-CD 3.43Å; F155-P206 HydrophobicContact CD2-CG 3.95Å; F155-P206 HydrophobicContact CE1-CG 4.26Å; F155-P206 VanDerWaalsContact CE2-CD 3.48Å; F155-P206 HydrophobicContact CE2-CG 3.44Å; F155-P206 VanDerWaalsContact CE2-CG 3.44Å; F155-P206 HydrophobicContact CZ-CB 4.38Å; F155-P206 HydrophobicContact CZ-CG 3.62Å | ||
| 156 | R | 80 | Confident | 90.8 | Very high | 206 Ų | 206 | 77.6 Ų | 77.6 | 78% | 0.777 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 111.4 | -174 | -72.7 | -172.8 | 177.6 | 176.5 | -0.2 | 109.9 | N154 | N154-R156 WeakPolarHBondContact OD1-CB 3.43Å; N154-R156 PolarHBondContact OD1-N 3.07Å |
| 157 | S | 77.4 | Confident | 90.9 | Very high | 81 Ų | 81 | 72.7 Ų | 72.7 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 25.4 | 178.1 | -49.4 | 0 | 0 | 0 | 0 | 115.8 | F155 | F155-S157 PolarHBondContact O-N 2.8Š|
| 158 | R | 89.1 | Confident | 90.8 | Very high | 109 Ų | 109 | 73.9 Ų | 73.9 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.1 | 166.6 | -71.4 | -165.7 | 177.7 | -179.3 | 6 | 110.1 | L152 N154 F155 R202 L203 | L152-R158 VanDerWaalsContact O-CZ 3.3Å; L152-R158 PolarHBondContact O-NH1 3.39Å; L152-R158 PolarHBondContact O-NH2 2.99Å; N154-R158 VanDerWaalsContact O-CD 3.24Å; N154-R158 WeakPolarHBondContact O-CD 3.37Å; N154-R158 VanDerWaalsContact O-CG 3.31Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-NE 3.42Å; F155-R158 PolarHBondContact O-N 2.89Å; R158-R202 CarbonylContact O-C 3.5Å; R158-R202 WeakPolarHBondContact O-CA 3.27Å; R158-L203 PolarHBondContact O-N 3.39Å |
| 159 | E | 93.1 | Very high | 90.7 | Very high | 136 Ų | 136 | 75.7 Ų | 75.7 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.8 | 172.9 | -60.8 | -176.1 | 172.5 | 0 | 0 | 109.1 | I201 L229 | E159-I201 CarbonylContact C-O 3.55Å; E159-I201 WeakPolarHBondContact CA-O 3.49Å; E159-L229 HydrophobicContact CG-CD1 3.92Å |
| 160 | L | 93.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.2 | -179.2 | -60.1 | 175.3 | 0 | 0 | 0 | 108.8 | F177 I201 L203 | L160-F177 HydrophobicContact CD1-CD2 3.74Å; L160-F177 HydrophobicContact CD1-CE2 4.32Å; L160-F177 HydrophobicContact CD1-CG 4.35Å; L160-I201 HydrophobicContact CB-CG1 4.06Å; L160-I201 PolarHBondContact N-O 2.96Å; L160-I201 PolarHBondContact O-N 2.96Å; L160-L203 HydrophobicContact CD1-CB 3.96Å; L160-L203 HydrophobicContact CD1-CD2 3.8Å; L160-L203 HydrophobicContact CD1-CG 4.43Å |
| 161 | I | 94.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.9 | 167.3 | -57.2 | 170.4 | 0 | 0 | 0 | 107 | L198 V199 Y232 L273 | I161-L198 HydrophobicContact CG2-CD2 3.99Å; I161-V199 CarbonylContact C-O 3.57Å; I161-V199 WeakPolarHBondContact CA-O 3.22Å; I161-Y232 HydrophobicContact CD1-CD2 3.67Å; I161-Y232 HydrophobicContact CD1-CE1 4.32Å; I161-Y232 HydrophobicContact CD1-CE2 3.27Å; I161-Y232 HydrophobicContact CD1-CG 4.36Å; I161-Y232 HydrophobicContact CG1-CD2 3.77Å; I161-Y232 HydrophobicContact CG1-CE2 3.82Å; I161-L273 HydrophobicContact CD1-CD1 3.59Å; I161-L273 HydrophobicContact CD1-CD2 4.01Å; I161-L273 HydrophobicContact CD1-CG 3.64Å; I161-L273 HydrophobicContact CG1-CD1 3.79Å; I161-L273 HydrophobicContact CG1-CG 4.4Å |
| 162 | G | 95.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 162.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D176 L198 V199 | G162-D176 CarbonylContact C-O 3.55Å; G162-D176 WeakPolarHBondContact CA-O 3.31Å; G162-L198 WeakPolarHBondContact O-CA 3.3Å; G162-V199 PolarHBondContact N-O 3.4Å; G162-V199 WeakPolarHBondContact O-CG2 3.32Å; G162-V199 PolarHBondContact O-N 3.35Å |
| 163 | V | 96.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.2 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 108 | I165 I175 D176 S197 L198 L268 | V163-I165 PolarHBondContact O-N 3.06Å; V163-I175 CarbonylContact O-C 3.6Å; V163-I175 WeakPolarHBondContact O-CA 3.37Å; V163-D176 PolarHBondContact N-O 3.28Å; V163-D176 PolarHBondContact O-N 3.28Å; V163-S197 WeakPolarHBondContact CA-O 3.35Å; V163-L198 HydrophobicContact CG2-CD2 3.65Å; V163-L268 HydrophobicContact CG2-CD2 4.34Å |
| 164 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 111.4 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | L173 Y174 I175 G196 S197 V199 | V164-L173 HydrophobicContact CG1-CD2 4.26Å; V164-Y174 CarbonylContact C-O 3.4Å; V164-I175 HydrophobicContact CG2-CG1 4.12Å; V164-G196 PolarHBondContact O-N 3.26Å; V164-S197 PolarHBondContact N-O 2.63Å; V164-V199 HydrophobicContact CG2-CG1 3.68Å; V164-V199 HydrophobicContact CG2-CG2 4.03Å |
| 165 | I | 96.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -49.4 | 174.4 | -64.6 | -173.2 | 0 | 0 | 0 | 109 | V163 Y174 D176 R195 | V163-I165 PolarHBondContact O-N 3.06Å; I165-Y174 PolarHBondContact N-O 2.93Å; I165-D176 HydrophobicContact CD1-CB 3.36Å; I165-D176 HydrophobicContact CG1-CB 3.85Å; I165-R195 WeakPolarHBondContact O-CD 3.28Å; I165-R195 WeakPolarHBondContact O-CG 3.46Å; I165-R195 PolarHBondContact O-NE 2.87Å; I165-R195 PolarHBondContact O-NH1 2.9Å |
| 166 | D | 95 | Very high | 92.8 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.3 | -174.9 | -149.2 | 1.9 | 0 | 0 | 0 | 111.8 | Y174 | D166-Y174 HydrophobicContact CB-CD2 4.4Å; D166-Y174 HydrophobicContact CB-CG 4.47Å; D166-Y174 PolarHBondContact N-O 2.9Å; D166-Y174 PolarHBondContact O-N 2.7Å |
| 167 | N | 93.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 101.7 | 176.5 | -171.3 | -6.9 | 0 | 0 | 0 | 107.9 | D170 L173 Q187 Y193 | N167-D170 WeakPolarHBondContact OD1-CA 3.24Å; N167-L173 HydrophobicContact CB-CD2 3.89Å; N167-L173 VanDerWaalsContact CG-CD2 3.42Å; N167-Q187 PolarHBondContact ND2-OE1 2.64Å; N167-Y193 PolarHBondContact ND2-O 3.46Å |
| 168 | V | 92.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.4 | -176.6 | -178 | 0 | 0 | 0 | 0 | 108.6 | D170 T171 D172 Y174 | V168-D170 PolarHBondContact O-N 2.78Å; V168-T171 PolarHBondContact O-N 2.67Å; V168-T171 PolarHBondContact O-OG1 2.85Å; V168-D172 PolarHBondContact N-O 2.9Å; V168-D172 PolarHBondContact O-N 2.86Å; V168-D172 VanDerWaalsContact O-N 3.11Å; V168-Y174 HydrophobicContact CG2-CD2 3.9Å; V168-Y174 HydrophobicContact CG2-CE2 3.68Å |
| 169 | D | 90.4 | Very high | 94.3 | Very high | 139 Ų | 139 | 52 Ų | 52 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 22.8 | 174.9 | -59.8 | -37.5 | 0 | 0 | 0 | 115.6 | T171 | D169-T171 PolarHBondContact O-N 2.8Å; D169-T171 VanDerWaalsContact O-N 3.12Å |
| 170 | D | 89.2 | Confident | 94.2 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 17.3 | -171.8 | -59.8 | -42.5 | 0 | 0 | 0 | 114 | N167 V168 Q187 F192 | N167-D170 WeakPolarHBondContact OD1-CA 3.24Å; V168-D170 PolarHBondContact O-N 2.78Å; D170-Q187 PolarHBondContact O-NE2 3.44Å; D170-F192 WeakPolarHBondContact OD1-CE2 3.31Å |
| 171 | T | 92.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -41.2 | -179.6 | 58.3 | 0 | 0 | 0 | 0 | 113 | V168 D169 S186 Q187 | V168-T171 PolarHBondContact O-N 2.67Å; V168-T171 PolarHBondContact O-OG1 2.85Å; D169-T171 PolarHBondContact O-N 2.8Å; D169-T171 VanDerWaalsContact O-N 3.12Å; T171-S186 CarbonylContact O-C 3.59Å; T171-S186 VanDerWaalsContact O-CA 3.31Å; T171-S186 WeakPolarHBondContact O-CA 3.49Å; T171-Q187 PolarHBondContact O-N 3.09Å |
| 172 | D | 94.2 | Very high | 94.3 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.4 | -170 | -63.7 | -61.7 | 0 | 0 | 0 | 112.1 | V168 V184 S186 | V168-D172 PolarHBondContact N-O 2.9Å; V168-D172 PolarHBondContact O-N 2.86Å; V168-D172 VanDerWaalsContact O-N 3.11Å; D172-V184 HydrophobicContact CB-CG1 4.08Å; D172-S186 PolarHBondContact OD1-OG 2.87Å |
| 173 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.8 | -176.6 | -58.8 | 174.1 | 0 | 0 | 0 | 110.5 | V164 N167 I175 V184 C185 Q187 Y193 L228 | V164-L173 HydrophobicContact CG1-CD2 4.26Å; N167-L173 HydrophobicContact CB-CD2 3.89Å; N167-L173 VanDerWaalsContact CG-CD2 3.42Å; L173-I175 HydrophobicContact CB-CD1 4.08Å; L173-I175 HydrophobicContact CB-CG1 4.11Å; L173-V184 WeakPolarHBondContact O-CA 3.28Å; L173-C185 WeakPolarHBondContact CB-O 3.46Å; L173-C185 PolarHBondContact N-O 2.97Å; L173-C185 PolarHBondContact O-N 3.44Å; L173-Q187 HydrophobicContact CD1-CB 4.09Å; L173-Q187 HydrophobicContact CD1-CG 4.38Å; L173-Q187 HydrophobicContact CD2-CB 4.36Å; L173-Q187 HydrophobicContact CG-CB 4.01Å; L173-Y193 HydrophobicContact CD1-CD2 3.59Å; L173-Y193 HydrophobicContact CD1-CE2 4.24Å; L173-Y193 HydrophobicContact CD1-CG 3.98Å; L173-L228 HydrophobicContact CD1-CD2 3.77Å |
| 174 | Y | 96.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 115.2 | 166.5 | -78.1 | -98 | 0 | 0 | 0 | 109.3 | V164 I165 D166 V168 V184 | V164-Y174 CarbonylContact C-O 3.4Å; I165-Y174 PolarHBondContact N-O 2.93Å; D166-Y174 HydrophobicContact CB-CD2 4.4Å; D166-Y174 HydrophobicContact CB-CG 4.47Å; D166-Y174 PolarHBondContact N-O 2.9Å; D166-Y174 PolarHBondContact O-N 2.7Å; V168-Y174 HydrophobicContact CG2-CD2 3.9Å; V168-Y174 HydrophobicContact CG2-CE2 3.68Å; Y174-V184 HydrophobicContact CD1-CG2 3.78Å; Y174-V184 HydrophobicContact CE1-CG2 3.48Å; Y174-V184 VanDerWaalsContact CE1-CG2 3.48Å; Y174-V184 HydrophobicContact CE2-CG2 4.29Å; Y174-V184 HydrophobicContact CG-CG2 4.32Å |
| 175 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.5 | -174.6 | -59.9 | 156.9 | 0 | 0 | 0 | 109.1 | V163 V164 L173 C183 C185 V199 I201 L228 | V163-I175 CarbonylContact O-C 3.6Å; V163-I175 WeakPolarHBondContact O-CA 3.37Å; V164-I175 HydrophobicContact CG2-CG1 4.12Å; L173-I175 HydrophobicContact CB-CD1 4.08Å; L173-I175 HydrophobicContact CB-CG1 4.11Å; I175-C183 VanDerWaalsContact CB-SG 3.59Å; I175-C183 PolarHBondContact N-O 3.22Å; I175-C183 PolarHBondContact O-N 2.67Å; I175-C183 PolarHBondContact O-SG 3.26Å; I175-C185 HydrophobicContact CD1-CB 4.07Å; I175-V199 HydrophobicContact CB-CG2 4.46Å; I175-V199 HydrophobicContact CD1-CG2 3.9Å; I175-V199 HydrophobicContact CG1-CG2 3.97Å; I175-V199 HydrophobicContact CG2-CG2 3.63Å; I175-I201 HydrophobicContact CD1-CG2 3.93Å; I175-I201 HydrophobicContact CG2-CG2 4.09Å; I175-L228 HydrophobicContact CD1-CD1 4.1Å |
| 176 | D | 96.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.7 | 171.5 | -177.3 | 19 | 0 | 0 | 0 | 111.1 | G162 V163 I165 G178 H182 | G162-D176 CarbonylContact C-O 3.55Å; G162-D176 WeakPolarHBondContact CA-O 3.31Å; V163-D176 PolarHBondContact N-O 3.28Å; V163-D176 PolarHBondContact O-N 3.28Å; I165-D176 HydrophobicContact CD1-CB 3.36Å; I165-D176 HydrophobicContact CG1-CB 3.85Å; D176-G178 PolarHBondContact OD1-N 3.43Å; D176-H182 IonicContact OD1-ND1 3.67Å |
| 177 | F | 94.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 55 Ų | 55 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -113.9 | 13.6 | 178.2 | 62.4 | -89.1 | 0 | 0 | 0 | 112.3 | L160 F181 C183 I201 L203 A224 | L160-F177 HydrophobicContact CD1-CD2 3.74Å; L160-F177 HydrophobicContact CD1-CE2 4.32Å; L160-F177 HydrophobicContact CD1-CG 4.35Å; F177-F181 WeakPolarHBondContact CE1-O 3.33Å; F177-C183 HydrophobicContact CD1-CB 4.44Å; F177-C183 HydrophobicContact CE1-CB 4.2Å; F177-I201 HydrophobicContact CB-CD1 3.71Å; F177-I201 HydrophobicContact CD1-CD1 3.73Å; F177-I201 HydrophobicContact CG-CD1 3.85Å; F177-L203 HydrophobicContact CE1-CD1 4.28Å; F177-L203 HydrophobicContact CE2-CD1 4.25Å; F177-L203 HydrophobicContact CE2-CD2 4.18Å; F177-L203 HydrophobicContact CZ-CD1 3.9Å; F177-A224 HydrophobicContact CE1-CB 3.7Å; F177-A224 HydrophobicContact CZ-CB 3.86Å |
| 178 | G | 92.6 | Very high | 94 | Very high | 72 Ų | 72 | 56.1 Ų | 56.1 | 74% | 0.742 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 82.8 | 20.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D176 | D176-G178 PolarHBondContact OD1-N 3.43Š|
| 179 | G | 91 | Very high | 93.8 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -88 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 180 | K | 91.7 | Very high | 93.7 | Very high | 180 Ų | 180 | 60 Ų | 60 | 78% | 0.783 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -68.2 | -37 | 170.3 | -179.8 | 179.8 | 175 | -172.3 | 0 | 112.1 | ||
| 181 | F | 95.2 | Very high | 93.7 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -117.4 | 136.5 | -178.8 | -57.2 | -64.9 | 0 | 0 | 0 | 109 | F177 E207 F222 A224 | F177-F181 WeakPolarHBondContact CE1-O 3.33Å; F181-E207 HydrophobicContact CD2-CB 4.02Å; F181-E207 HydrophobicContact CD2-CG 3.96Å; F181-E207 HydrophobicContact CE2-CB 3.99Å; F181-E207 HydrophobicContact CE2-CG 3.56Å; F181-E207 HydrophobicContact CZ-CG 4.46Å; F181-F222 HydrophobicContact CD1-CB 3.98Å; F181-F222 HydrophobicContact CD1-CD1 4.5Å; F181-F222 VanDerWaalsContact CD1-O 3.3Å; F181-F222 WeakPolarHBondContact CD1-O 3.45Å; F181-F222 HydrophobicContact CE1-CB 3.89Å; F181-F222 AromaticContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CG 4.18Å; F181-F222 AromaticContact CZ-CD1 3.94Å; F181-F222 HydrophobicContact CZ-CD1 3.94Å; F181-A224 HydrophobicContact CB-CB 4.47Å |
| 182 | H | 95.7 | Very high | 93.6 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | trans | -67.6 | 152.9 | 171.6 | -55.1 | -46.8 | 0 | 0 | 0 | 109.9 | D176 E223 A224 | D176-H182 IonicContact OD1-ND1 3.67Å; H182-E223 WeakPolarHBondContact O-CA 3.45Å; H182-A224 PolarHBondContact O-N 2.8Å | ||
| 183 | C | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.3 | 170.7 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | I175 F177 I201 A224 A226 | I175-C183 VanDerWaalsContact CB-SG 3.59Å; I175-C183 PolarHBondContact N-O 3.22Å; I175-C183 PolarHBondContact O-N 2.67Å; I175-C183 PolarHBondContact O-SG 3.26Å; F177-C183 HydrophobicContact CD1-CB 4.44Å; F177-C183 HydrophobicContact CE1-CB 4.2Å; C183-I201 VanDerWaalsContact SG-CD1 3.55Å; C183-A224 WeakPolarHBondContact CA-O 3.33Å; C183-A224 HydrophobicContact CB-CB 3.98Å; C183-A224 VanDerWaalsContact CB-O 3.31Å; C183-A224 WeakPolarHBondContact CB-O 3.46Å; C183-A226 HydrophobicContact CB-CB 3.78Å |
| 184 | V | 95.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.218 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.7 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 108 | D172 L173 Y174 E223 | D172-V184 HydrophobicContact CB-CG1 4.08Å; L173-V184 WeakPolarHBondContact O-CA 3.28Å; Y174-V184 HydrophobicContact CD1-CG2 3.78Å; Y174-V184 HydrophobicContact CE1-CG2 3.48Å; Y174-V184 VanDerWaalsContact CE1-CG2 3.48Å; Y174-V184 HydrophobicContact CE2-CG2 4.29Å; Y174-V184 HydrophobicContact CG-CG2 4.32Å; V184-E223 HydrophobicContact CG2-CG 4.1Å |
| 185 | C | 95.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.3 | 178.8 | -66.5 | 0 | 0 | 0 | 0 | 110 | L173 I175 Q187 A226 L228 | L173-C185 WeakPolarHBondContact CB-O 3.46Å; L173-C185 PolarHBondContact N-O 2.97Å; L173-C185 PolarHBondContact O-N 3.44Å; I175-C185 HydrophobicContact CD1-CB 4.07Å; C185-Q187 PolarHBondContact O-N 2.93Å; C185-A226 PolarHBondContact SG-O 3.2Å; C185-A226 VanDerWaalsContact SG-O 3.41Å; C185-L228 HydrophobicContact CB-CB 3.91Å |
| 186 | S | 94.5 | Very high | 93 | Very high | 88 Ų | 88 | 70 Ų | 70 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.9 | 175.5 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | T171 D172 | T171-S186 CarbonylContact O-C 3.59Å; T171-S186 VanDerWaalsContact O-CA 3.31Å; T171-S186 WeakPolarHBondContact O-CA 3.49Å; D172-S186 PolarHBondContact OD1-OG 2.87Å |
| 187 | Q | 93.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 69.3 Ų | 69.3 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 128.2 | 175.6 | -176.9 | 169.7 | -95.9 | 0 | 0 | 110 | N167 D170 T171 L173 C185 Q191 Y193 | N167-Q187 PolarHBondContact ND2-OE1 2.64Å; D170-Q187 PolarHBondContact O-NE2 3.44Å; T171-Q187 PolarHBondContact O-N 3.09Å; L173-Q187 HydrophobicContact CD1-CB 4.09Å; L173-Q187 HydrophobicContact CD1-CG 4.38Å; L173-Q187 HydrophobicContact CD2-CB 4.36Å; L173-Q187 HydrophobicContact CG-CB 4.01Å; C185-Q187 PolarHBondContact O-N 2.93Å; Q187-Q191 WeakPolarHBondContact CG-O 3.45Å; Q187-Y193 HydrophobicContact CG-CD2 4.27Å |
| 188 | P | 93.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 69.8 Ų | 69.8 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 136 | 172.9 | 27.8 | -31.9 | 0 | 0 | 0 | 110.6 | N190 Q191 Y193 | P188-N190 PolarHBondContact O-N 2.77Å; P188-Q191 HydrophobicContact CG-CB 4.11Å; P188-Q191 HydrophobicContact CG-CG 4.39Å; P188-Q191 PolarHBondContact O-N 2.92Å; P188-Y193 HydrophobicContact CG-CE2 4.34Å |
| 189 | A | 88.4 | Confident | 93 | Very high | 106 Ų | 106 | 66.3 Ų | 66.3 | 88% | 0.876 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -20.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 190 | N | 87.4 | Confident | 93.3 | Very high | 165 Ų | 165 | 66.4 Ų | 66.4 | 88% | 0.882 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 5.3 | -177.6 | -63.4 | -33.8 | 0 | 0 | 0 | 113.7 | P188 | P188-N190 PolarHBondContact O-N 2.77Š|
| 191 | Q | 89.1 | Confident | 93.4 | Very high | 90 Ų | 90 | 57.9 Ų | 57.9 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | trans | -135.9 | 135.9 | -178.5 | -58.6 | 176.7 | -15.5 | 0 | 0 | 110.2 | Q187 P188 Y193 | Q187-Q191 WeakPolarHBondContact CG-O 3.45Å; P188-Q191 HydrophobicContact CG-CB 4.11Å; P188-Q191 HydrophobicContact CG-CG 4.39Å; P188-Q191 PolarHBondContact O-N 2.92Å; Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 3.76Å; Q191-Y193 PolarHBondContact OE1-OH 2.87Å | ||
| 192 | F | 91.6 | Very high | 93.4 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 58% | 0.575 | 34% | 0.34 | S | S | * | . | trans | -110.9 | 130.7 | 176.2 | 179 | -106.9 | 0 | 0 | 0 | 109.4 | D170 P194 | D170-F192 WeakPolarHBondContact OD1-CE2 3.31Å; F192-P194 HydrophobicContact CE1-CB 3.95Å; F192-P194 HydrophobicContact CE1-CG 4.39Å | ||
| 193 | Y | 93.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -114.9 | 100.4 | 178.4 | -67 | -87.9 | 0 | 0 | 0 | 109.9 | N167 L173 Q187 P188 Q191 V199 L228 G230 P231 | N167-Y193 PolarHBondContact ND2-O 3.46Å; L173-Y193 HydrophobicContact CD1-CD2 3.59Å; L173-Y193 HydrophobicContact CD1-CE2 4.24Å; L173-Y193 HydrophobicContact CD1-CG 3.98Å; Q187-Y193 HydrophobicContact CG-CD2 4.27Å; P188-Y193 HydrophobicContact CG-CE2 4.34Å; Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 3.76Å; Q191-Y193 PolarHBondContact OE1-OH 2.87Å; Y193-V199 HydrophobicContact CD1-CG1 3.4Å; Y193-V199 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V199 HydrophobicContact CE1-CG1 3.46Å; Y193-V199 VanDerWaalsContact CE1-CG1 3.46Å; Y193-V199 HydrophobicContact CG-CG1 4.36Å; Y193-L228 HydrophobicContact CE2-CD2 3.97Å; Y193-G230 WeakPolarHBondContact OH-CA 3.31Å; Y193-P231 HydrophobicContact CE1-CB 4.14Å; Y193-P231 VanDerWaalsContact OH-CD 3.31Å; Y193-P231 WeakPolarHBondContact OH-CD 3.16Å | ||
| 194 | P | 91.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | trans | -68 | 155.6 | 173.2 | 25.7 | -31.4 | 0 | 0 | 0 | 111 | F192 G196 S197 | F192-P194 HydrophobicContact CE1-CB 3.95Å; F192-P194 HydrophobicContact CE1-CG 4.39Å; P194-G196 PolarHBondContact O-N 2.82Å; P194-S197 WeakPolarHBondContact CD-OG 3.35Å; P194-S197 VanDerWaalsContact CG-OG 3.31Å; P194-S197 WeakPolarHBondContact CG-OG 3.07Å; P194-S197 WeakPolarHBondContact O-CB 3.29Å; P194-S197 PolarHBondContact O-N 3.01Å; P194-S197 PolarHBondContact O-OG 2.91Å | ||
| 195 | R | 93.4 | Very high | 93 | Very high | 175 Ų | 175 | 63.9 Ų | 63.9 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137.3 | 172.3 | 176.6 | 168.9 | -178.8 | 115.9 | 0.7 | 111.3 | I165 S197 | I165-R195 WeakPolarHBondContact O-CD 3.28Å; I165-R195 WeakPolarHBondContact O-CG 3.46Å; I165-R195 PolarHBondContact O-NE 2.87Å; I165-R195 PolarHBondContact O-NH1 2.9Å; R195-S197 VanDerWaalsContact C-N 3.32Å |
| 196 | G | 93.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -3.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V164 P194 | V164-G196 PolarHBondContact O-N 3.26Å; P194-G196 PolarHBondContact O-N 2.82Å |
| 197 | S | 92.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -65.7 | 139.8 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | V163 V164 P194 R195 | V163-S197 WeakPolarHBondContact CA-O 3.35Å; V164-S197 PolarHBondContact N-O 2.63Å; P194-S197 WeakPolarHBondContact CD-OG 3.35Å; P194-S197 VanDerWaalsContact CG-OG 3.31Å; P194-S197 WeakPolarHBondContact CG-OG 3.07Å; P194-S197 WeakPolarHBondContact O-CB 3.29Å; P194-S197 PolarHBondContact O-N 3.01Å; P194-S197 PolarHBondContact O-OG 2.91Å; R195-S197 VanDerWaalsContact C-N 3.32Å | ||
| 198 | L | 95.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.7 | 173.6 | -67.2 | 163.2 | 0 | 0 | 0 | 110.5 | I161 G162 V163 Y232 L236 | I161-L198 HydrophobicContact CG2-CD2 3.99Å; G162-L198 WeakPolarHBondContact O-CA 3.3Å; V163-L198 HydrophobicContact CG2-CD2 3.65Å; L198-Y232 PolarHBondContact O-N 2.97Å; L198-L236 HydrophobicContact CD1-CD1 3.14Å; L198-L236 HydrophobicContact CD1-CD2 4.26Å; L198-L236 HydrophobicContact CD1-CG 3.98Å |
| 199 | V | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.9 | -176.1 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | I161 G162 V164 I175 Y193 I201 L228 G230 | I161-V199 CarbonylContact C-O 3.57Å; I161-V199 WeakPolarHBondContact CA-O 3.22Å; G162-V199 PolarHBondContact N-O 3.4Å; G162-V199 WeakPolarHBondContact O-CG2 3.32Å; G162-V199 PolarHBondContact O-N 3.35Å; V164-V199 HydrophobicContact CG2-CG1 3.68Å; V164-V199 HydrophobicContact CG2-CG2 4.03Å; I175-V199 HydrophobicContact CB-CG2 4.46Å; I175-V199 HydrophobicContact CD1-CG2 3.9Å; I175-V199 HydrophobicContact CG1-CG2 3.97Å; I175-V199 HydrophobicContact CG2-CG2 3.63Å; Y193-V199 HydrophobicContact CD1-CG1 3.4Å; Y193-V199 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V199 HydrophobicContact CE1-CG1 3.46Å; Y193-V199 VanDerWaalsContact CE1-CG1 3.46Å; Y193-V199 HydrophobicContact CG-CG1 4.36Å; V199-I201 HydrophobicContact CG2-CG2 4.18Å; V199-L228 HydrophobicContact CB-CD1 3.76Å; V199-L228 HydrophobicContact CG1-CD1 4.12Å; V199-L228 HydrophobicContact CG2-CD1 4.16Å; V199-G230 CarbonylContact C-O 3.59Å; V199-G230 WeakPolarHBondContact CA-O 3.17Å |
| 200 | C | 95.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 126 | 168.1 | -65.8 | 0 | 0 | 0 | 0 | 108.8 | L229 G230 | C200-L229 HydrophobicContact CB-CB 4.13Å; C200-L229 HydrophobicContact CB-CD1 4.43Å; C200-L229 WeakPolarHBondContact O-CB 3.35Å; C200-L229 PolarHBondContact O-N 2.84Å; C200-G230 PolarHBondContact N-O 3.47Å; C200-G230 PolarHBondContact O-N 3.43Å |
| 201 | I | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.8 | 173.2 | 64.6 | 170.1 | 0 | 0 | 0 | 109.7 | E159 L160 I175 F177 C183 V199 A226 T227 L228 | E159-I201 CarbonylContact C-O 3.55Å; E159-I201 WeakPolarHBondContact CA-O 3.49Å; L160-I201 HydrophobicContact CB-CG1 4.06Å; L160-I201 PolarHBondContact N-O 2.96Å; L160-I201 PolarHBondContact O-N 2.96Å; I175-I201 HydrophobicContact CD1-CG2 3.93Å; I175-I201 HydrophobicContact CG2-CG2 4.09Å; F177-I201 HydrophobicContact CB-CD1 3.71Å; F177-I201 HydrophobicContact CD1-CD1 3.73Å; F177-I201 HydrophobicContact CG-CD1 3.85Å; C183-I201 VanDerWaalsContact SG-CD1 3.55Å; V199-I201 HydrophobicContact CG2-CG2 4.18Å; I201-A226 HydrophobicContact CB-CB 4.33Å; I201-A226 HydrophobicContact CD1-CB 4.11Å; I201-T227 CarbonylContact C-O 3.5Å; I201-T227 WeakPolarHBondContact CA-O 3.34Å; I201-L228 HydrophobicContact CG2-CD1 4.29Å |
| 202 | R | 95.1 | Very high | 90.8 | Very high | 96 Ų | 96 | 64.4 Ų | 64.4 | 36% | 0.362 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 109.5 | 168.2 | -178.5 | 175.2 | 65.9 | 176.7 | -1.3 | 108.8 | R158 A226 T227 L229 | R158-R202 CarbonylContact O-C 3.5Å; R158-R202 WeakPolarHBondContact O-CA 3.27Å; R202-A226 CarbonylContact O-C 3.59Å; R202-A226 WeakPolarHBondContact O-CA 3.31Å; R202-T227 WeakPolarHBondContact CB-OG1 3.14Å; R202-T227 PolarHBondContact N-O 3.45Å; R202-T227 PolarHBondContact NE-OG1 2.8Å; R202-T227 PolarHBondContact O-N 2.86Å; R202-L229 HydrophobicContact CB-CD1 4.17Å; R202-L229 HydrophobicContact CB-CD2 4.19Å; R202-L229 HydrophobicContact CB-CG 4.2Å |
| 203 | L | 93.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 136.7 | -178.2 | -171.5 | 65.5 | 0 | 0 | 0 | 110 | F155 R158 L160 F177 A224 A226 | F155-L203 HydrophobicContact CB-CD2 4.37Å; F155-L203 HydrophobicContact CB-CG 4.5Å; F155-L203 HydrophobicContact CD1-CD2 3.84Å; F155-L203 HydrophobicContact CG-CD2 4.34Å; R158-L203 PolarHBondContact O-N 3.39Å; L160-L203 HydrophobicContact CD1-CB 3.96Å; L160-L203 HydrophobicContact CD1-CD2 3.8Å; L160-L203 HydrophobicContact CD1-CG 4.43Å; F177-L203 HydrophobicContact CE1-CD1 4.28Å; F177-L203 HydrophobicContact CE2-CD1 4.25Å; F177-L203 HydrophobicContact CE2-CD2 4.18Å; F177-L203 HydrophobicContact CZ-CD1 3.9Å; L203-A224 HydrophobicContact CD1-CB 4.46Å; L203-A226 HydrophobicContact CD1-CB 4.37Å |
| 204 | K | 93 | Very high | 89.4 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -56.3 | 171.3 | -68.7 | 171.2 | 179.1 | 161.7 | 0 | 110.5 | F155 D225 T227 | F155-K204 WeakPolarHBondContact CB-O 3.21Å; K204-D225 HydrophobicContact CB-CB 4.44Å; K204-D225 WeakPolarHBondContact CB-O 3.41Å; K204-D225 WeakPolarHBondContact CD-OD1 3.37Å; K204-D225 VanDerWaalsContact CD-OD2 3.28Å; K204-D225 WeakPolarHBondContact CD-OD2 3.5Å; K204-D225 PolarHBondContact N-O 2.84Å; K204-D225 IonicContact NZ-OD1 3.74Å; K204-T227 HydrophobicContact CD-CG2 4.44Å; K204-T227 VanDerWaalsContact CE-CG2 3.43Å |
| 205 | N | 90.9 | Very high | 88.7 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 129.9 | 177.1 | -62.6 | -53.4 | 0 | 0 | 0 | 109.7 | E207 D225 | N205-E207 PolarHBondContact O-N 3.31Å; N205-D225 HydrophobicContact CB-CB 4.21Å; N205-D225 PolarHBondContact N-O 2.87Å; N205-D225 VanDerWaalsContact N-O 3.09Å; N205-D225 PolarHBondContact O-N 2.84Å |
| 206 | P | 91.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -72.1 | -15.1 | 176.8 | 32.7 | -39.6 | 0 | 0 | 0 | 113.4 | F155 | F155-P206 VanDerWaalsContact CD2-CD 3.43Å; F155-P206 HydrophobicContact CD2-CG 3.95Å; F155-P206 HydrophobicContact CE1-CG 4.26Å; F155-P206 VanDerWaalsContact CE2-CD 3.48Å; F155-P206 HydrophobicContact CE2-CG 3.44Å; F155-P206 VanDerWaalsContact CE2-CG 3.44Å; F155-P206 HydrophobicContact CZ-CB 4.38Å; F155-P206 HydrophobicContact CZ-CG 3.62Å |
| 207 | E | 90 | Very high | 87.9 | Confident | 86 Ų | 86 | 77 Ų | 77 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -142.1 | 118.8 | 176 | -177.1 | 176.1 | -169 | 0 | 0 | 108.6 | F181 N205 T209 S220 | F181-E207 HydrophobicContact CD2-CB 4.02Å; F181-E207 HydrophobicContact CD2-CG 3.96Å; F181-E207 HydrophobicContact CE2-CB 3.99Å; F181-E207 HydrophobicContact CE2-CG 3.56Å; F181-E207 HydrophobicContact CZ-CG 4.46Å; N205-E207 PolarHBondContact O-N 3.31Å; E207-T209 PolarHBondContact O-N 3.35Å; E207-S220 VanDerWaalsContact CG-OG 3.32Å; E207-S220 WeakPolarHBondContact CG-OG 3.44Å; E207-S220 VanDerWaalsContact OE1-CB 3.25Å; E207-S220 WeakPolarHBondContact OE1-CB 3.3Å; E207-S220 PolarHBondContact OE1-OG 3.47Å |
| 208 | L | 87.7 | Confident | 87.3 | Confident | 58 Ų | 58 | 78 Ų | 78 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | trans | -81.8 | 99.8 | 175.7 | -175.5 | 60.7 | 0 | 0 | 0 | 109.6 | S220 I221 E223 D225 | L208-S220 WeakPolarHBondContact O-CA 3.37Å; L208-I221 HydrophobicContact CD2-CD1 3.96Å; L208-I221 HydrophobicContact CG-CD1 4.29Å; L208-I221 PolarHBondContact O-N 2.85Å; L208-E223 VanDerWaalsContact CB-O 3.28Å; L208-E223 WeakPolarHBondContact CB-O 3.41Å; L208-E223 PolarHBondContact N-O 3.27Å; L208-D225 HydrophobicContact CD1-CB 4.37Å | ||
| 209 | T | 85.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | E207 V219 | E207-T209 PolarHBondContact O-N 3.35Å; T209-V219 WeakPolarHBondContact CA-O 3.11Å |
| 210 | G | 82.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 158.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G218 V219 | G210-G218 CarbonylContact O-C 3.59Å; G210-G218 VanDerWaalsContact O-CA 3.27Å; G210-G218 WeakPolarHBondContact O-CA 3.07Å; G210-V219 PolarHBondContact N-O 3.18Å; G210-V219 PolarHBondContact O-N 2.86Å |
| 211 | K | 80.1 | Confident | 85.9 | Confident | 135 Ų | 135 | 81.9 Ų | 81.9 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | trans | -107.6 | 104.6 | 166.3 | -170.4 | -179.1 | -179.2 | -173.9 | 0 | 107.6 | N215 | K211-N215 WeakPolarHBondContact CE-O 3.5Å; K211-N215 VanDerWaalsContact CG-O 3.23Å; K211-N215 WeakPolarHBondContact CG-O 3.4Å | ||
| 212 | F | 78 | Confident | 85.8 | Confident | 121 Ų | 121 | 89 Ų | 89 | 53% | 0.531 | 47% | 0.466 | S | S | . | . | trans | -65.8 | 140.9 | 172.7 | -67.4 | -71 | 0 | 0 | 0 | 109.4 | V214 N215 V219 | F212-V214 PolarHBondContact O-N 2.77Å; F212-N215 PolarHBondContact O-N 3.46Å; F212-V219 HydrophobicContact CD2-CB 3.82Å; F212-V219 HydrophobicContact CD2-CG1 4.43Å; F212-V219 HydrophobicContact CD2-CG2 3.76Å; F212-V219 HydrophobicContact CE2-CB 3.66Å; F212-V219 HydrophobicContact CE2-CG1 3.87Å; F212-V219 HydrophobicContact CE2-CG2 4.06Å | ||
| 213 | M | 71.7 | Confident | 85.7 | Confident | 197 Ų | 197 | 87.1 Ų | 87.1 | 97% | 0.97 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.8 | -40.1 | -165.6 | -66.8 | 171.3 | 63.7 | 0 | 0 | 115.8 | ||
| 214 | V | 83.5 | Confident | 85.7 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -15.3 | -173 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | F212 | F212-V214 PolarHBondContact O-N 2.77Š|
| 215 | N | 78.6 | Confident | 85.7 | Confident | 81 Ų | 81 | 85.2 Ų | 85.2 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | trans | -87.4 | 125.7 | -175.9 | -74.4 | 29 | 0 | 0 | 0 | 110.3 | K211 F212 K217 | K211-N215 WeakPolarHBondContact CE-O 3.5Å; K211-N215 VanDerWaalsContact CG-O 3.23Å; K211-N215 WeakPolarHBondContact CG-O 3.4Å; F212-N215 PolarHBondContact O-N 3.46Å; N215-K217 PolarHBondContact O-N 2.85Å | ||
| 216 | T | 83.6 | Confident | 85.9 | Confident | 106 Ų | 106 | 82 Ų | 82 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.7 | -30 | 169.9 | -43.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 217 | K | 84.6 | Confident | 86.1 | Confident | 173 Ų | 173 | 81.6 Ų | 81.6 | 75% | 0.752 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -92 | 140.7 | -178.3 | -59.5 | -177.6 | -177.8 | -179.7 | 0 | 111 | N215 | N215-K217 PolarHBondContact O-N 2.85Š|
| 218 | G | 80.9 | Confident | 86.4 | Confident | 49 Ų | 49 | 79.2 Ų | 79.2 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | trans | -69.3 | 143.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G210 | G210-G218 CarbonylContact O-C 3.59Å; G210-G218 VanDerWaalsContact O-CA 3.27Å; G210-G218 WeakPolarHBondContact O-CA 3.07Å | ||
| 219 | V | 84.4 | Confident | 86.7 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.5 | 173.1 | 180 | 0 | 0 | 0 | 0 | 107.8 | T209 G210 F212 | T209-V219 WeakPolarHBondContact CA-O 3.11Å; G210-V219 PolarHBondContact N-O 3.18Å; G210-V219 PolarHBondContact O-N 2.86Å; F212-V219 HydrophobicContact CD2-CB 3.82Å; F212-V219 HydrophobicContact CD2-CG1 4.43Å; F212-V219 HydrophobicContact CD2-CG2 3.76Å; F212-V219 HydrophobicContact CE2-CB 3.66Å; F212-V219 HydrophobicContact CE2-CG1 3.87Å; F212-V219 HydrophobicContact CE2-CG2 4.06Å |
| 220 | S | 85.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138.1 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | E207 L208 F222 | E207-S220 VanDerWaalsContact CG-OG 3.32Å; E207-S220 WeakPolarHBondContact CG-OG 3.44Å; E207-S220 VanDerWaalsContact OE1-CB 3.25Å; E207-S220 WeakPolarHBondContact OE1-CB 3.3Å; E207-S220 PolarHBondContact OE1-OG 3.47Å; L208-S220 WeakPolarHBondContact O-CA 3.37Å; S220-F222 PolarHBondContact OG-N 2.83Å |
| 221 | I | 87.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | trans | -83.4 | -3.8 | 175.8 | -57.2 | 175.8 | 0 | 0 | 0 | 110.7 | L208 E223 | L208-I221 HydrophobicContact CD2-CD1 3.96Å; L208-I221 HydrophobicContact CG-CD1 4.29Å; L208-I221 PolarHBondContact O-N 2.85Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 HydrophobicContact CG2-CG 4.41Å | ||
| 222 | F | 92.3 | Very high | 88.2 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 63.9 | 29.9 | -174.7 | -53.3 | -51.7 | 0 | 0 | 0 | 114.5 | F181 S220 | F181-F222 HydrophobicContact CD1-CB 3.98Å; F181-F222 HydrophobicContact CD1-CD1 4.5Å; F181-F222 VanDerWaalsContact CD1-O 3.3Å; F181-F222 WeakPolarHBondContact CD1-O 3.45Å; F181-F222 HydrophobicContact CE1-CB 3.89Å; F181-F222 AromaticContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CG 4.18Å; F181-F222 AromaticContact CZ-CD1 3.94Å; F181-F222 HydrophobicContact CZ-CD1 3.94Å; S220-F222 PolarHBondContact OG-N 2.83Å |
| 223 | E | 94.2 | Very high | 88.7 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | trans | -129.2 | 155.9 | 176.9 | -67 | 170.3 | -171.8 | 0 | 0 | 109.8 | H182 V184 L208 I221 | H182-E223 WeakPolarHBondContact O-CA 3.45Å; V184-E223 HydrophobicContact CG2-CG 4.1Å; L208-E223 VanDerWaalsContact CB-O 3.28Å; L208-E223 WeakPolarHBondContact CB-O 3.41Å; L208-E223 PolarHBondContact N-O 3.27Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 HydrophobicContact CG2-CG 4.41Å | ||
| 224 | A | 94.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.033 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 144.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F177 F181 H182 C183 L203 | F177-A224 HydrophobicContact CE1-CB 3.7Å; F177-A224 HydrophobicContact CZ-CB 3.86Å; F181-A224 HydrophobicContact CB-CB 4.47Å; H182-A224 PolarHBondContact O-N 2.8Å; C183-A224 WeakPolarHBondContact CA-O 3.33Å; C183-A224 HydrophobicContact CB-CB 3.98Å; C183-A224 VanDerWaalsContact CB-O 3.31Å; C183-A224 WeakPolarHBondContact CB-O 3.46Å; L203-A224 HydrophobicContact CD1-CB 4.46Å |
| 225 | D | 93.2 | Very high | 88.9 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.9 | 175.1 | 175.8 | 20.2 | 0 | 0 | 0 | 109.8 | K204 N205 L208 | K204-D225 HydrophobicContact CB-CB 4.44Å; K204-D225 WeakPolarHBondContact CB-O 3.41Å; K204-D225 WeakPolarHBondContact CD-OD1 3.37Å; K204-D225 VanDerWaalsContact CD-OD2 3.28Å; K204-D225 WeakPolarHBondContact CD-OD2 3.5Å; K204-D225 PolarHBondContact N-O 2.84Å; K204-D225 IonicContact NZ-OD1 3.74Å; N205-D225 HydrophobicContact CB-CB 4.21Å; N205-D225 PolarHBondContact N-O 2.87Å; N205-D225 VanDerWaalsContact N-O 3.09Å; N205-D225 PolarHBondContact O-N 2.84Å; L208-D225 HydrophobicContact CD1-CB 4.37Å |
| 226 | A | 94.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C183 C185 I201 R202 L203 | C183-A226 HydrophobicContact CB-CB 3.78Å; C185-A226 PolarHBondContact SG-O 3.2Å; C185-A226 VanDerWaalsContact SG-O 3.41Å; I201-A226 HydrophobicContact CB-CB 4.33Å; I201-A226 HydrophobicContact CD1-CB 4.11Å; R202-A226 CarbonylContact O-C 3.59Å; R202-A226 WeakPolarHBondContact O-CA 3.31Å; L203-A226 HydrophobicContact CD1-CB 4.37Å |
| 227 | T | 94.7 | Very high | 87.5 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.7 | 170.1 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | I201 R202 K204 L229 | I201-T227 CarbonylContact C-O 3.5Å; I201-T227 WeakPolarHBondContact CA-O 3.34Å; R202-T227 WeakPolarHBondContact CB-OG1 3.14Å; R202-T227 PolarHBondContact N-O 3.45Å; R202-T227 PolarHBondContact NE-OG1 2.8Å; R202-T227 PolarHBondContact O-N 2.86Å; K204-T227 HydrophobicContact CD-CG2 4.44Å; K204-T227 VanDerWaalsContact CE-CG2 3.43Å; T227-L229 PolarHBondContact O-N 2.89Å |
| 228 | L | 95.7 | Very high | 86.4 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 125.6 | 172.4 | -178.3 | 68 | 0 | 0 | 0 | 110.4 | L173 I175 C185 Y193 V199 I201 | L173-L228 HydrophobicContact CD1-CD2 3.77Å; I175-L228 HydrophobicContact CD1-CD1 4.1Å; C185-L228 HydrophobicContact CB-CB 3.91Å; Y193-L228 HydrophobicContact CE2-CD2 3.97Å; V199-L228 HydrophobicContact CB-CD1 3.76Å; V199-L228 HydrophobicContact CG1-CD1 4.12Å; V199-L228 HydrophobicContact CG2-CD1 4.16Å; I201-L228 HydrophobicContact CG2-CD1 4.29Å |
| 229 | L | 94.4 | Very high | 85.4 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -36.7 | 175 | -60.6 | 178.4 | 0 | 0 | 0 | 111.7 | E159 C200 R202 T227 | E159-L229 HydrophobicContact CG-CD1 3.92Å; C200-L229 HydrophobicContact CB-CB 4.13Å; C200-L229 HydrophobicContact CB-CD1 4.43Å; C200-L229 WeakPolarHBondContact O-CB 3.35Å; C200-L229 PolarHBondContact O-N 2.84Å; R202-L229 HydrophobicContact CB-CD1 4.17Å; R202-L229 HydrophobicContact CB-CD2 4.19Å; R202-L229 HydrophobicContact CB-CG 4.2Å; T227-L229 PolarHBondContact O-N 2.89Å |
| 230 | G | 94 | Very high | 84.5 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.7 | -169.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y193 V199 C200 | Y193-G230 WeakPolarHBondContact OH-CA 3.31Å; V199-G230 CarbonylContact C-O 3.59Å; V199-G230 WeakPolarHBondContact CA-O 3.17Å; C200-G230 PolarHBondContact N-O 3.47Å; C200-G230 PolarHBondContact O-N 3.43Å |
| 231 | P | 93.7 | Very high | 83.2 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 146 | 175.8 | 30.5 | -33.9 | 0 | 0 | 0 | 110.8 | Y193 K233 | Y193-P231 HydrophobicContact CE1-CB 4.14Å; Y193-P231 VanDerWaalsContact OH-CD 3.31Å; Y193-P231 WeakPolarHBondContact OH-CD 3.16Å; P231-K233 PolarHBondContact O-N 3.41Å |
| 232 | Y | 93.2 | Very high | 81.8 | Confident | 46 Ų | 46 | 79.9 Ų | 79.9 | 18% | 0.18 | 42% | 0.418 | C | S | . | . | trans | -68.8 | 120.2 | 174 | -180 | -108.7 | 0 | 0 | 0 | 110.4 | I161 L198 G234 L236 L273 | I161-Y232 HydrophobicContact CD1-CD2 3.67Å; I161-Y232 HydrophobicContact CD1-CE1 4.32Å; I161-Y232 HydrophobicContact CD1-CE2 3.27Å; I161-Y232 HydrophobicContact CD1-CG 4.36Å; I161-Y232 HydrophobicContact CG1-CD2 3.77Å; I161-Y232 HydrophobicContact CG1-CE2 3.82Å; L198-Y232 PolarHBondContact O-N 2.97Å; Y232-G234 VanDerWaalsContact CE1-C 3.44Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å; Y232-L236 HydrophobicContact CD1-CD2 4.07Å; Y232-L236 HydrophobicContact CD1-CG 4.4Å; Y232-L236 HydrophobicContact CE1-CD2 3.42Å; Y232-L236 VanDerWaalsContact CE1-CD2 3.42Å; Y232-L236 HydrophobicContact CE1-CG 3.91Å; Y232-L273 HydrophobicContact CE2-CD2 4.06Å; Y232-L273 WeakPolarHBondContact OH-CD2 3.31Å | ||
| 233 | K | 86.7 | Confident | 80.2 | Confident | 193 Ų | 193 | 79.5 Ų | 79.5 | 84% | 0.839 | 42% | 0.418 | S | S | * | . | trans | -101.6 | 4.3 | -178.3 | -63.4 | -177.9 | -178.5 | 177.6 | 0 | 114 | P231 | P231-K233 PolarHBondContact O-N 3.41Š| ||
| 234 | G | 82.7 | Confident | 78.2 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -84.5 | 162.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y232 | Y232-G234 VanDerWaalsContact CE1-C 3.44Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å |
| 235 | Q | 76.8 | Confident | 75.9 | Confident | 172 Ų | 172 | 91.9 Ų | 91.9 | 80% | 0.804 | 47% | 0.473 | S | S | * | . | trans | -82.4 | 117.1 | 167.3 | -173.2 | 172.5 | 26 | 0 | 0 | 108.9 | V237 | Q235-V237 PolarHBondContact O-N 3.44Å; Q235-V237 VanDerWaalsContact O-N 3.07Å | ||
| 236 | L | 65.3 | Low | 73.5 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 30% | 0.298 | 50% | 0.503 | S | S | . | . | trans | -67 | 102.5 | 168.7 | -77.1 | -169.5 | 0 | 0 | 0 | 110 | L198 Y232 R238 W271 | L198-L236 HydrophobicContact CD1-CD1 3.14Å; L198-L236 HydrophobicContact CD1-CD2 4.26Å; L198-L236 HydrophobicContact CD1-CG 3.98Å; Y232-L236 HydrophobicContact CD1-CD2 4.07Å; Y232-L236 HydrophobicContact CD1-CG 4.4Å; Y232-L236 HydrophobicContact CE1-CD2 3.42Å; Y232-L236 VanDerWaalsContact CE1-CD2 3.42Å; Y232-L236 HydrophobicContact CE1-CG 3.91Å; L236-R238 PolarHBondContact O-N 2.82Å; L236-W271 HydrophobicContact CB-CE3 4.2Å; L236-W271 HydrophobicContact CB-CH2 3.56Å; L236-W271 HydrophobicContact CB-CZ3 3.33Å; L236-W271 HydrophobicContact CD1-CE3 4.32Å; L236-W271 HydrophobicContact CD1-CH2 3.4Å; L236-W271 VanDerWaalsContact CD1-CH2 3.4Å; L236-W271 HydrophobicContact CD1-CZ2 3.67Å; L236-W271 HydrophobicContact CD1-CZ3 3.78Å; L236-W271 HydrophobicContact CD2-CD2 4.06Å; L236-W271 HydrophobicContact CD2-CE3 3.53Å; L236-W271 HydrophobicContact CD2-CH2 4.13Å; L236-W271 HydrophobicContact CD2-CZ3 3.59Å; L236-W271 HydrophobicContact CG-CE3 4.17Å; L236-W271 HydrophobicContact CG-CH2 3.86Å; L236-W271 HydrophobicContact CG-CZ2 4.49Å; L236-W271 HydrophobicContact CG-CZ3 3.7Å | ||
| 237 | V | 68.9 | Low | 71.1 | Confident | 100 Ų | 100 | 103 Ų | 103 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | trans | -87.9 | 104.8 | 169.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | Q235 T239 | Q235-V237 PolarHBondContact O-N 3.44Å; Q235-V237 VanDerWaalsContact O-N 3.07Å; V237-T239 PolarHBondContact O-N 3.43Å | ||
| 238 | R | 60.8 | Low | 68.8 | Low | 144 Ų | 144 | 105.3 Ų | 105.3 | 54% | 0.543 | 54% | 0.54 | S | S | . | . | trans | -61.5 | 105.6 | 165.1 | -71.1 | -174.4 | 178.4 | 179.3 | -2.4 | 106.9 | L236 I240 W271 | L236-R238 PolarHBondContact O-N 2.82Å; R238-I240 HydrophobicContact CB-CG1 4.34Å; R238-I240 PolarHBondContact O-N 3.01Å; R238-W271 HydrophobicContact CG-CH2 3.84Å; R238-W271 HydrophobicContact CG-CZ3 4.27Å | ||
| 239 | T | 61 | Low | 66.1 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | trans | -78.5 | 80.3 | 168.7 | -50.7 | 0 | 0 | 0 | 0 | 105.8 | V237 P241 | V237-T239 PolarHBondContact O-N 3.43Å; T239-P241 VanDerWaalsContact O-CD 3.29Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å | ||
| 240 | I | 64.8 | Low | 63.6 | Low | 88 Ų | 88 | 111 Ų | 111 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | trans | -61.7 | 119.9 | 165.3 | -57.2 | 176.9 | 0 | 0 | 0 | 104.5 | R238 D242 E244 | R238-I240 HydrophobicContact CB-CG1 4.34Å; R238-I240 PolarHBondContact O-N 3.01Å; I240-D242 PolarHBondContact O-N 2.98Å; I240-E244 HydrophobicContact CG2-CB 3.69Å | ||
| 241 | P | 58.7 | Low | 61.9 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | trans | -51.5 | 132.8 | 170.9 | -21.6 | 32.3 | 0 | 0 | 0 | 107.6 | T239 E243 E244 | T239-P241 VanDerWaalsContact O-CD 3.29Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-E243 HydrophobicContact CB-CG 4.29Å; P241-E243 PolarHBondContact O-N 3.11Å; P241-E244 PolarHBondContact O-N 2.75Å | ||
| 242 | D | 58.9 | Low | 59.8 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -54.1 | -5.4 | -169.3 | -70.1 | -55.5 | 0 | 0 | 0 | 115.5 | I240 | I240-D242 PolarHBondContact O-N 2.98Š|
| 243 | E | 57 | Low | 57.4 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 66% | 0.659 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -59.4 | -35.2 | 172.7 | -46.9 | -86.9 | 158.8 | 0 | 0 | 113.5 | K5 P241 | K5-E243 IonicContact NZ-OE1 2.7Å; K5-E243 PolarHBondContact NZ-OE1 3.23Å; K5-E243 IonicContact NZ-OE2 2.63Å; K5-E243 PolarHBondContact NZ-OE2 3.43Å; P241-E243 HydrophobicContact CB-CG 4.29Å; P241-E243 PolarHBondContact O-N 3.11Å |
| 244 | E | 52.8 | Low | 55.2 | Low | 155 Ų | 155 | 117.7 Ų | 117.7 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -98.3 | 9 | -173.3 | -73 | -174.8 | 179.1 | 0 | 0 | 115.1 | I240 P241 M246 | I240-E244 HydrophobicContact CG2-CB 3.69Å; P241-E244 PolarHBondContact O-N 2.75Å; E244-M246 PolarHBondContact O-N 3.18Å |
| 245 | K | 47 | Very low | 53.2 | Low | 167 Ų | 167 | 124.5 Ų | 124.5 | 73% | 0.726 | 67% | 0.674 | S | S | * | * | trans | -73.1 | 31.1 | 174.9 | -157 | -176 | 178.5 | 177.9 | 0 | 113.4 | I247 | K245-I247 PolarHBondContact O-N 3.43Š| ||
| 246 | M | 40.9 | Very low | 51.1 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | trans | -87.1 | 90.6 | 173.2 | -144.1 | 173.2 | 175.2 | 0 | 0 | 109.7 | E244 T248 | E244-M246 PolarHBondContact O-N 3.18Å; M246-T248 PolarHBondContact O-N 2.99Å | ||
| 247 | I | 45.1 | Very low | 50.1 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 56% | 0.559 | 70% | 0.703 | S | S | * | * | trans | -43.2 | 116.3 | 173.9 | -60.6 | 158.6 | 0 | 0 | 0 | 110.9 | K245 T249 | K245-I247 PolarHBondContact O-N 3.43Å; I247-T249 HydrophobicContact CG2-CG2 3.91Å; I247-T249 PolarHBondContact O-N 3.07Å | ||
| 248 | T | 45.9 | Very low | 48.9 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 52% | 0.521 | 71% | 0.708 | S | S | . | * | trans | -76.1 | 100.7 | 159 | 56.2 | 0 | 0 | 0 | 0 | 108.2 | M246 N250 R258 | M246-T248 PolarHBondContact O-N 2.99Å; T248-N250 PolarHBondContact O-N 3.21Å; T248-R258 PolarHBondContact OG1-NE 3.19Å; T248-R258 PolarHBondContact OG1-NH2 3.47Å | ||
| 249 | T | 40.4 | Very low | 48.1 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | -68.4 | 107.3 | 169.5 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | I247 | I247-T249 HydrophobicContact CG2-CG2 3.91Å; I247-T249 PolarHBondContact O-N 3.07Å | ||
| 250 | N | 41.8 | Very low | 47.7 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -74.1 | 147.1 | 160 | -71.9 | -12.3 | 0 | 0 | 0 | 108.2 | T248 D252 G253 | T248-N250 PolarHBondContact O-N 3.21Å; N250-D252 PolarHBondContact O-N 2.64Å; N250-G253 PolarHBondContact O-N 3.06Å; N250-G253 VanDerWaalsContact O-N 3.1Å | ||
| 251 | A | 57.5 | Low | 46.6 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 96% | 0.959 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -5.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 252 | D | 50.3 | Low | 45.9 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 18.6 | -179.4 | -133.4 | 5.5 | 0 | 0 | 0 | 113.8 | N250 V254 | N250-D252 PolarHBondContact O-N 2.64Å; D252-V254 PolarHBondContact O-N 2.93Å |
| 253 | G | 42.6 | Very low | 45.2 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | 69 | -4.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | N250 K255 | N250-G253 PolarHBondContact O-N 3.06Å; N250-G253 VanDerWaalsContact O-N 3.1Å; G253-K255 PolarHBondContact O-N 2.82Å | ||
| 254 | V | 39.9 | Very low | 44.9 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | trans | -86.4 | 114.1 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | D252 R256 | D252-V254 PolarHBondContact O-N 2.93Å; V254-R256 PolarHBondContact O-N 3.28Å; V254-R256 VanDerWaalsContact O-N 3.08Å | ||
| 255 | K | 40.8 | Very low | 44.6 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -63.1 | 104.6 | 172.6 | -62.4 | 175.7 | -176.5 | 175.9 | 0 | 109.2 | G253 | G253-K255 PolarHBondContact O-N 2.82Š| ||
| 256 | R | 33.6 | Very low | 44.4 | Very low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | -114.7 | 125.5 | 171.4 | -156.8 | 179.8 | -69.2 | -177.4 | 0 | 109.5 | V254 R258 | V254-R256 PolarHBondContact O-N 3.28Å; V254-R256 VanDerWaalsContact O-N 3.08Å; R256-R258 PolarHBondContact O-N 2.94Å | ||
| 257 | W | 43.2 | Very low | 44.4 | Very low | 239 Ų | 239 | 125.3 Ų | 125.3 | 91% | 0.905 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.2 | 170.8 | -64 | 82.3 | 0 | 0 | 0 | 108.6 | ||
| 258 | R | 44 | Very low | 44.1 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 131.1 | 171.4 | -67.8 | -172.7 | -178.1 | -126.3 | -1.1 | 107.9 | T248 R256 | T248-R258 PolarHBondContact OG1-NE 3.19Å; T248-R258 PolarHBondContact OG1-NH2 3.47Å; R256-R258 PolarHBondContact O-N 2.94Å |
| 259 | S | 44.4 | Very low | 43.9 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.8 | 171.6 | -58.6 | 0 | 0 | 0 | 0 | 109 | T261 | S259-T261 PolarHBondContact O-N 2.86Š|
| 260 | A | 52.4 | Low | 43.8 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 50% | 0.504 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 134.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D264 | A260-D264 WeakPolarHBondContact CA-OD2 3.18Å; A260-D264 HydrophobicContact CB-CB 4.42Å |
| 261 | T | 40.8 | Very low | 43.7 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 56% | 0.564 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 159.7 | 175.2 | -33.2 | 0 | 0 | 0 | 0 | 108.7 | S259 E263 D264 | S259-T261 PolarHBondContact O-N 2.86Å; T261-E263 PolarHBondContact O-N 3.12Å; T261-D264 PolarHBondContact N-OD2 3Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.38Å; T261-D264 PolarHBondContact O-N 3.46Å |
| 262 | D | 43.5 | Very low | 42.6 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -54.9 | -26.6 | -176.1 | -66.4 | -32.4 | 0 | 0 | 0 | 113.9 | D264 N265 | D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 3.32Å; D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 2.63Å |
| 263 | E | 45 | Very low | 41.8 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -64.8 | -29.1 | 174.2 | -51.9 | -64.1 | 159.5 | 0 | 0 | 113.1 | T261 N265 V266 | T261-E263 PolarHBondContact O-N 3.12Å; E263-N265 PolarHBondContact O-N 3.1Å; E263-V266 PolarHBondContact O-N 2.8Å |
| 264 | D | 50.1 | Low | 41.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 40% | 0.401 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -71.7 | -15 | 180 | -61.5 | -33.4 | 0 | 0 | 0 | 112.2 | A260 T261 D262 V266 | A260-D264 WeakPolarHBondContact CA-OD2 3.18Å; A260-D264 HydrophobicContact CB-CB 4.42Å; T261-D264 PolarHBondContact N-OD2 3Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.38Å; T261-D264 PolarHBondContact O-N 3.46Å; D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 3.32Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.89Å |
| 265 | N | 46.4 | Very low | 41.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -74.9 | -15.2 | -179.9 | -68.4 | -32 | 0 | 0 | 0 | 113 | D262 E263 | D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 2.63Å; E263-N265 PolarHBondContact O-N 3.1Å |
| 266 | V | 43.6 | Very low | 41.6 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -87 | -19.2 | -174.7 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | E263 D264 L268 | E263-V266 PolarHBondContact O-N 2.8Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.89Å; V266-L268 PolarHBondContact O-N 3.08Å |
| 267 | A | 41 | Very low | 42 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | trans | -82.3 | 65.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | E269 | A267-E269 PolarHBondContact O-N 2.86Š| ||
| 268 | L | 39.8 | Very low | 41.9 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | trans | -71.5 | 2.4 | 175.9 | -105.3 | 148.7 | 0 | 0 | 0 | 113.6 | V163 V266 | V163-L268 HydrophobicContact CG2-CD2 4.34Å; V266-L268 PolarHBondContact O-N 3.08Å | ||
| 269 | E | 40.2 | Very low | 41.8 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 73% | 0.729 | 66% | 0.661 | S | S | * | * | trans | -89.9 | 124.3 | -174.9 | -52.4 | -151.9 | -170.3 | 0 | 0 | 110.2 | A267 | A267-E269 PolarHBondContact O-N 2.86Š| ||
| 270 | H | 38.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | trans | 93.5 | 53.5 | 169.4 | -43.9 | -66 | 0 | 0 | 0 | 118.2 | C272 | H270-C272 PolarHBondContact O-N 3.47Š| ||
| 271 | W | 39.4 | Very low | 40.9 | Very low | 98 Ų | 98 | 127 Ų | 127 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | trans | -85.9 | 91.7 | 149.6 | -60.3 | 103 | 0 | 0 | 0 | 109.9 | L236 R238 | L236-W271 HydrophobicContact CB-CE3 4.2Å; L236-W271 HydrophobicContact CB-CH2 3.56Å; L236-W271 HydrophobicContact CB-CZ3 3.33Å; L236-W271 HydrophobicContact CD1-CE3 4.32Å; L236-W271 HydrophobicContact CD1-CH2 3.4Å; L236-W271 VanDerWaalsContact CD1-CH2 3.4Å; L236-W271 HydrophobicContact CD1-CZ2 3.67Å; L236-W271 HydrophobicContact CD1-CZ3 3.78Å; L236-W271 HydrophobicContact CD2-CD2 4.06Å; L236-W271 HydrophobicContact CD2-CE3 3.53Å; L236-W271 HydrophobicContact CD2-CH2 4.13Å; L236-W271 HydrophobicContact CD2-CZ3 3.59Å; L236-W271 HydrophobicContact CG-CE3 4.17Å; L236-W271 HydrophobicContact CG-CH2 3.86Å; L236-W271 HydrophobicContact CG-CZ2 4.49Å; L236-W271 HydrophobicContact CG-CZ3 3.7Å; R238-W271 HydrophobicContact CG-CH2 3.84Å; R238-W271 HydrophobicContact CG-CZ3 4.27Å | ||
| 272 | C | 34.1 | Very low | 40.9 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | trans | -95.4 | 122.5 | 160.8 | -91.6 | 0 | 0 | 0 | 0 | 108.8 | H270 | H270-C272 PolarHBondContact O-N 3.47Š| ||
| 273 | L | 34.6 | Very low | 40.7 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | trans | -62.6 | 137.2 | 167.2 | -87.9 | 155.7 | 0 | 0 | 0 | 109.7 | I161 Y232 | I161-L273 HydrophobicContact CD1-CD1 3.59Å; I161-L273 HydrophobicContact CD1-CD2 4.01Å; I161-L273 HydrophobicContact CD1-CG 3.64Å; I161-L273 HydrophobicContact CG1-CD1 3.79Å; I161-L273 HydrophobicContact CG1-CG 4.4Å; Y232-L273 HydrophobicContact CE2-CD2 4.06Å; Y232-L273 WeakPolarHBondContact OH-CD2 3.31Å | ||
| 274 | K | 35.1 | Very low | 40.3 | Very low | 271 Ų | 271 | 127.1 Ų | 127.1 | 100% | 1.178 | 66% | 0.664 | S | S | * | * | trans | -97.6 | 0 | 171.1 | -163.4 | 176.2 | -176.1 | 175.2 | 0 | 110.3 |
Retrieved 274 of 274 residues in 300.8 ms
(Link to these results)