| 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 | 37.4 | Very low | 32.3 | Very low | 239 Ų | 239 | 137.7 Ų | 137.7 | 100% | 1.177 | 81% | 0.805 | S | S | * | * | 0 | 96.5 | 0 | -62.9 | 159.6 | -179.8 | 0 | 0 | 105 | |||||
| 2 | A | 32.8 | Very low | 32.1 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 66.5 | 118.2 | 56.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | A | 35.9 | Very low | 31.8 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | cis | -148.4 | 143.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | Q | 34.7 | Very low | 31.4 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | 61.9 | 139.7 | 106.3 | -61.4 | 176.7 | -35.2 | 0 | 0 | 116 | |||||
| 5 | C | 33 | Very low | 31.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | cis | -165.6 | 149.6 | -11 | -108.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | D | 31.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | 30.3 | 150.6 | 120.3 | -56.8 | -64.5 | 0 | 0 | 0 | 121.2 | |||||
| 7 | T | 30 | Very low | 30.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -165.6 | 158.9 | 15.3 | -5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 8 | L | 31.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 40.8 | 132.8 | 136.7 | -88.7 | 165.7 | 0 | 0 | 0 | 125.9 | ||||
| 9 | S | 30.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | 78.6 | 161.4 | 129 | -148.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 10 | G | 28.7 | Very low | 30.6 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 139.3 | 99.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 11 | Y | 29.8 | Very low | 30.7 | Very low | 223 Ų | 223 | 139.5 Ų | 139.5 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -85.4 | 160.2 | 173.8 | -118.5 | -125.7 | 0 | 0 | 0 | 112.6 | ||||
| 12 | L | 29.9 | Very low | 30.3 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | 81.2 | 133.7 | 145.2 | -89.5 | 163.6 | 0 | 0 | 0 | 124.3 | ||||
| 13 | Q | 27.1 | Very low | 30.4 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | 90.1 | 137.6 | 135 | -142.8 | 64.3 | -1.4 | 0 | 0 | 123.8 | ||||
| 14 | Q | 27 | Very low | 30.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | 6.8 | 133.1 | 163.6 | -68.3 | 168.1 | -99.7 | 0 | 0 | 123 | ||||
| 15 | Q | 27.8 | Very low | 30.1 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | -151.4 | 132.6 | 127.6 | -99 | 160.1 | 10.9 | 0 | 0 | 105.3 | |||||
| 16 | Q | 26.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | 72 | 133.6 | 26.5 | -149.6 | 159.5 | 1.5 | 0 | 0 | 114.3 | ||||
| 17 | S | 29.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 157.2 | -164.1 | 49.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 18 | D | 25.6 | Very low | 30.3 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -151.8 | 167.1 | 127.6 | -131.4 | -31.3 | 0 | 0 | 0 | 114.6 | |||||
| 19 | Q | 33.5 | Very low | 30.6 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -102.3 | 142.9 | 174 | -68.7 | -175.5 | -5.1 | 0 | 0 | 111.9 | ||||
| 20 | G | 29.3 | Very low | 31.3 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -100.8 | 131.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 21 | S | 32.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -119.6 | 159.8 | -172.8 | -170.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | N | 28.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -174.7 | 136.5 | 162.2 | -94.3 | -44.1 | 0 | 0 | 0 | 107.3 | ||||
| 23 | S | 34.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -164.7 | 176.4 | -18.8 | -90.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 24 | E | 32.9 | Very low | 32.6 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | cis | -148.4 | 173.2 | 23.3 | -103.8 | -148.9 | 75.8 | 0 | 0 | 112.6 | ||||
| 25 | R | 32 | Very low | 32.8 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 5.3 | 144.7 | 142.9 | -112.2 | 175.6 | 175.4 | -166.1 | -4.5 | 120.5 | ||||
| 26 | S | 32.7 | Very low | 33.1 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | cis | -155.2 | 160.1 | 30.9 | -55 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | T | 34.8 | Very low | 33.5 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -2.3 | 134.6 | 152.6 | 54.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 28 | D | 29.8 | Very low | 33.9 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | -160.2 | -179.5 | 73.4 | -161.9 | 9.1 | 0 | 0 | 0 | 113.4 | |||||
| 29 | S | 38.7 | Very low | 34.6 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -159.4 | 145.4 | 176.2 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | P | 46.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | -148.1 | 168.5 | 97.9 | 39.8 | -24 | 0 | 0 | 0 | 117.3 | |||||
| 31 | L | 34.4 | Very low | 35.7 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -79.7 | -176.4 | 164.8 | -72.1 | 170.2 | 0 | 0 | 0 | 110.4 | ||||
| 32 | P | 46.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | cis | -144.3 | -174.8 | 15.6 | 44.6 | -24.3 | 0 | 0 | 0 | 118.3 | ||||
| 33 | G | 27.8 | Very low | 37 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | 149.6 | 96.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 34 | S | 32.8 | Very low | 37.6 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 68.6 | 125 | 80.5 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 35 | E | 32.8 | Very low | 38.6 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | cis | -165.6 | 171.5 | -2.9 | -123.1 | 149.5 | 175.4 | 0 | 0 | 109.3 | ||||
| 36 | E | 33 | Very low | 39.9 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 41 | 103 | 161.3 | -59.2 | -179.5 | 135.4 | 0 | 0 | 118.8 | ||||
| 37 | D | 34.8 | Very low | 41.4 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 70.5 | 113.9 | 78 | -169.1 | 28.1 | 0 | 0 | 0 | 115.7 | |||||
| 38 | L | 39.4 | Very low | 43.1 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -173.6 | 150.2 | 136.3 | -102.2 | 172.6 | 0 | 0 | 0 | 109.7 | ||||
| 39 | S | 39.8 | Very low | 45.6 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -115.7 | 144.9 | -162.7 | 46.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 40 | G | 37.3 | Very low | 48 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -152.6 | 144.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 41 | P | 48 | Very low | 50.1 | Low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -85 | 138.3 | -151.3 | 30.6 | -36.4 | 0 | 0 | 0 | 115.7 | ||
| 42 | H | 40.7 | Very low | 52.8 | Low | 183 Ų | 183 | 118.6 Ų | 118.6 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.6 | 154.6 | -86 | -82.3 | 0 | 0 | 0 | 110.1 | L44 | H42-L44 PolarHBondContact O-N 2.91Š|
| 43 | P | 49 | Very low | 54.8 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 133.3 | 168.2 | -20.6 | 32.8 | 0 | 0 | 0 | 111.1 | ||
| 44 | L | 47.6 | Very low | 57.7 | Low | 159 Ų | 159 | 118 Ų | 118 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.9 | 165.4 | -67.2 | 169.6 | 0 | 0 | 0 | 109.5 | H42 D46 | H42-L44 PolarHBondContact O-N 2.91Å; L44-D46 PolarHBondContact O-N 3.22Å; L44-D46 VanDerWaalsContact O-N 3.15Å |
| 45 | P | 54.1 | Low | 60.2 | Low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.5 | 172.9 | -21.9 | 33.4 | 0 | 0 | 0 | 110.8 | P47 | P45-P47 WeakPolarHBondContact O-CD 3.18Š|
| 46 | D | 58.8 | Low | 62.8 | Low | 83 Ų | 83 | 111.7 Ų | 111.7 | 44% | 0.444 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 117.8 | -179.8 | -178.2 | -5.4 | 0 | 0 | 0 | 110.2 | L44 E48 W49 | L44-D46 PolarHBondContact O-N 3.22Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-E48 PolarHBondContact O-N 3.26Å; D46-E48 PolarHBondContact OD1-N 3.04Å; D46-W49 PolarHBondContact O-N 3.11Å |
| 47 | P | 63.4 | Low | 65.1 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -0.3 | -173.4 | 27.8 | -35.9 | 0 | 0 | 0 | 114.7 | P45 R115 | P45-P47 WeakPolarHBondContact O-CD 3.18Å; P47-R115 PolarHBondContact O-NH2 2.88Å |
| 48 | E | 70.3 | Confident | 67.5 | Low | 78 Ų | 78 | 99.2 Ų | 99.2 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -17.2 | 167 | -68.8 | -163.9 | 150.5 | 0 | 0 | 114.8 | D46 T50 K114 R115 | D46-E48 PolarHBondContact O-N 3.26Å; D46-E48 PolarHBondContact OD1-N 3.04Å; E48-T50 PolarHBondContact O-N 3.19Å; E48-T50 PolarHBondContact O-OG1 3.06Å; E48-K114 HydrophobicContact CB-CG 4.41Å; E48-K114 IonicContact OE2-NZ 2.65Å; E48-K114 PolarHBondContact OE2-NZ 2.96Å; E48-R115 PolarHBondContact O-N 2.97Å |
| 49 | W | 82.8 | Confident | 69.5 | Low | 158 Ų | 158 | 98.3 Ų | 98.3 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129 | -175.6 | -158.4 | -89.6 | 0 | 0 | 0 | 111.7 | D46 C112 G113 | D46-W49 PolarHBondContact O-N 3.11Å; W49-C112 HydrophobicContact CZ2-CB 4.5Å; W49-G113 WeakPolarHBondContact CA-O 3.37Å |
| 50 | T | 88.6 | Confident | 71.5 | Confident | 38 Ų | 38 | 95.3 Ų | 95.3 | 23% | 0.233 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.7 | -173.2 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | E48 C112 G113 | E48-T50 PolarHBondContact O-N 3.19Å; E48-T50 PolarHBondContact O-OG1 3.06Å; T50-C112 WeakPolarHBondContact O-CA 3.21Å; T50-G113 PolarHBondContact N-O 2.63Å; T50-G113 PolarHBondContact O-N 3.25Å; T50-G113 VanDerWaalsContact O-N 3.14Å |
| 51 | E | 91.2 | Very high | 73.8 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.5 | 159.7 | 177.8 | -176.6 | 148.1 | 0 | 0 | 108.6 | K110 V111 | E51-K110 WeakPolarHBondContact OE1-CE 3.42Å; E51-K110 WeakPolarHBondContact OE1-CG 3.22Å; E51-K110 IonicContact OE1-NZ 3.1Å; E51-K110 PolarHBondContact OE1-NZ 3.01Å; E51-K110 IonicContact OE2-NZ 3.77Å; E51-K110 PolarHBondContact OE2-NZ 3.33Å; E51-V111 WeakPolarHBondContact CA-O 3.25Å |
| 52 | E | 90.2 | Very high | 75.6 | Confident | 65 Ų | 65 | 87.1 Ų | 87.1 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.2 | 162.8 | -171.3 | 166.8 | -176.3 | 0 | 0 | 111.8 | F54 K110 V111 V118 K122 | E52-F54 HydrophobicContact CG-CD1 4.48Å; E52-K110 CarbonylContact O-C 3.58Å; E52-K110 WeakPolarHBondContact O-CA 3.49Å; E52-V111 PolarHBondContact N-O 3.19Å; E52-V111 PolarHBondContact O-N 2.95Å; E52-V118 HydrophobicContact CB-CG1 3.83Å; E52-K122 HydrophobicContact CG-CD 4.29Å; E52-K122 WeakPolarHBondContact OE1-CE 3.46Å; E52-K122 IonicContact OE1-NZ 2.67Å; E52-K122 PolarHBondContact OE1-NZ 2.83Å; E52-K122 WeakPolarHBondContact OE2-CD 3.41Å; E52-K122 IonicContact OE2-NZ 2.9Å; E52-K122 PolarHBondContact OE2-NZ 2.83Å |
| 53 | R | 89.3 | Confident | 77.6 | Confident | 158 Ų | 158 | 82.8 Ų | 82.8 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 115.4 | -179.5 | -171.5 | -176.5 | -173.4 | -174.5 | 6 | 112.1 | H108 I109 K110 | R53-H108 HydrophobicContact CG-CB 4.49Å; R53-I109 WeakPolarHBondContact CA-O 3.37Å; R53-I109 WeakPolarHBondContact CG-O 3.25Å; R53-K110 HydrophobicContact CB-CG 4.3Å; R53-K110 HydrophobicContact CG-CG 3.94Å |
| 54 | F | 87.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 173.7 | -176.9 | 54.4 | -92 | 0 | 0 | 0 | 112.4 | E52 V56 H108 I109 V111 K122 I125 M126 | E52-F54 HydrophobicContact CG-CD1 4.48Å; F54-V56 HydrophobicContact CD2-CG1 3.86Å; F54-V56 HydrophobicContact CE2-CG1 3.73Å; F54-H108 CarbonylContact O-C 3.57Å; F54-H108 WeakPolarHBondContact O-CA 3.49Å; F54-I109 HydrophobicContact CE2-CB 4.07Å; F54-I109 HydrophobicContact CE2-CG2 4.44Å; F54-I109 HydrophobicContact CZ-CB 4.21Å; F54-I109 HydrophobicContact CZ-CG2 4.13Å; F54-I109 PolarHBondContact N-O 2.99Å; F54-I109 VanDerWaalsContact N-O 3.07Å; F54-I109 PolarHBondContact O-N 3.41Å; F54-V111 HydrophobicContact CE1-CG2 3.61Å; F54-V111 HydrophobicContact CZ-CG2 3.93Å; F54-K122 HydrophobicContact CD1-CB 4.31Å; F54-K122 HydrophobicContact CD1-CD 3.91Å; F54-K122 HydrophobicContact CD1-CG 3.82Å; F54-K122 HydrophobicContact CE1-CB 3.7Å; F54-K122 HydrophobicContact CE1-CD 4.16Å; F54-K122 HydrophobicContact CE1-CG 3.64Å; F54-K122 HydrophobicContact CG-CG 4.47Å; F54-K122 HydrophobicContact CZ-CB 4.22Å; F54-K122 HydrophobicContact CZ-CG 4.16Å; F54-I125 HydrophobicContact CE2-CB 4.29Å; F54-I125 HydrophobicContact CE2-CG2 3.7Å; F54-I125 HydrophobicContact CZ-CB 4.03Å; F54-I125 HydrophobicContact CZ-CD1 4Å; F54-I125 HydrophobicContact CZ-CG2 3.82Å; F54-M126 HydrophobicContact CD2-CG 3.99Å; F54-M126 HydrophobicContact CD2-SD 3.44Å; F54-M126 WeakPolarHBondContact CD2-SD 3.42Å; F54-M126 HydrophobicContact CE2-CG 3.93Å; F54-M126 HydrophobicContact CE2-SD 3.8Å; F54-M126 HydrophobicContact CG-SD 4.3Å |
| 55 | R | 86.8 | Confident | 81 | Confident | 145 Ų | 145 | 71.8 Ų | 71.8 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.4 | 178.6 | -67.2 | -177.3 | -175.7 | 166.5 | 5.6 | 110.7 | D106 P107 H108 | R55-D106 HydrophobicContact CB-CB 4.22Å; R55-P107 WeakPolarHBondContact CA-O 3.42Å; R55-H108 PolarHBondContact NE-CE1 3.07Å; R55-H108 PolarHBondContact NE-NE2 3.36Å; R55-H108 PolarHBondContact NH2-NE2 3.33Å |
| 56 | V | 85.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -120.6 | 164.1 | 177 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | F54 R58 L61 D106 P107 I109 I125 M126 L129 | F54-V56 HydrophobicContact CD2-CG1 3.86Å; F54-V56 HydrophobicContact CE2-CG1 3.73Å; V56-R58 PolarHBondContact O-N 2.99Å; V56-L61 HydrophobicContact CG2-CD2 4.19Å; V56-D106 WeakPolarHBondContact O-CB 3.33Å; V56-P107 HydrophobicContact CG2-CG 3.88Å; V56-P107 PolarHBondContact N-O 3.21Å; V56-P107 VanDerWaalsContact N-O 3.12Å; V56-P107 WeakPolarHBondContact O-CD 3.48Å; V56-I109 HydrophobicContact CB-CD1 4.48Å; V56-I109 HydrophobicContact CG1-CD1 3.79Å; V56-I109 HydrophobicContact CG1-CG1 4.37Å; V56-I109 HydrophobicContact CG2-CD1 3.87Å; V56-I109 HydrophobicContact CG2-CG1 4.26Å; V56-I125 HydrophobicContact CG1-CG2 4.37Å; V56-M126 HydrophobicContact CG1-SD 4.05Å; V56-L129 HydrophobicContact CB-CB 3.77Å; V56-L129 HydrophobicContact CG1-CB 3.93Å; V56-L129 HydrophobicContact CG2-CB 4.29Å; V56-L129 HydrophobicContact CG2-CD1 4.35Å | ||
| 57 | D | 83.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | trans | -65.8 | 118.9 | -179.8 | -172.6 | -53.1 | 0 | 0 | 0 | 110.9 | K59 K60 L61 L129 T131 | D57-K59 VanDerWaalsContact C-N 3.31Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.28Å; D57-K59 PolarHBondContact OD1-N 3.48Å; D57-K60 HydrophobicContact CB-CB 3.92Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 PolarHBondContact OD1-N 2.89Å; D57-K60 VanDerWaalsContact OD1-N 3.08Å; D57-L61 PolarHBondContact O-N 3.43Å; D57-L129 WeakPolarHBondContact CB-O 3.16Å; D57-L129 PolarHBondContact N-O 3.02Å; D57-T131 WeakPolarHBondContact CB-OG1 3.03Å; D57-T131 VanDerWaalsContact OD2-CB 3.25Å; D57-T131 WeakPolarHBondContact OD2-CB 3.38Å; D57-T131 PolarHBondContact OD2-OG1 3.18Å | ||
| 58 | R | 83.9 | Confident | 83.5 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 179.6 | -173 | -179.2 | 169.7 | 89.2 | 19 | 112.6 | V56 E62 L97 K98 A101 S103 P107 | V56-R58 PolarHBondContact O-N 2.99Å; R58-E62 IonicContact CZ-OE1 2.69Å; R58-E62 IonicContact NE-OE1 2.67Å; R58-E62 PolarHBondContact NE-OE1 2.9Å; R58-E62 IonicContact NH2-OE1 2.66Å; R58-E62 PolarHBondContact NH2-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CB 3.19Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.09Å; R58-L97 HydrophobicContact CG-CD2 4.47Å; R58-K98 PolarHBondContact NH2-O 2.87Å; R58-A101 PolarHBondContact NE-O 3.43Å; R58-A101 PolarHBondContact NH2-O 3.03Å; R58-S103 WeakPolarHBondContact CD-O 2.95Å; R58-P107 HydrophobicContact CB-CG 4.4Å |
| 59 | K | 81.5 | Confident | 83.4 | Confident | 151 Ų | 151 | 63.2 Ų | 63.2 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | -176.7 | -169.5 | -176.7 | 180 | -172.7 | 0 | 110.6 | D57 E62 I63 | D57-K59 VanDerWaalsContact C-N 3.31Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.28Å; D57-K59 PolarHBondContact OD1-N 3.48Å; K59-E62 PolarHBondContact O-N 3.49Å; K59-I63 HydrophobicContact CG-CD1 4.13Å; K59-I63 WeakPolarHBondContact O-CD1 3.3Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.08Å; K59-I63 PolarHBondContact O-N 3.4Å |
| 60 | K | 81.3 | Confident | 83 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 178.9 | -150.7 | 168.1 | -176.8 | -159.1 | 0 | 111.9 | D57 I63 M64 V128 | D57-K60 HydrophobicContact CB-CB 3.92Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 PolarHBondContact OD1-N 2.89Å; D57-K60 VanDerWaalsContact OD1-N 3.08Å; K60-I63 PolarHBondContact O-N 3Å; K60-M64 PolarHBondContact O-N 3.45Å; K60-M64 VanDerWaalsContact O-N 3.09Å; K60-V128 WeakPolarHBondContact CD-O 3.46Å; K60-V128 WeakPolarHBondContact CE-O 3.4Å; K60-V128 PolarHBondContact NZ-O 2.83Å |
| 61 | L | 85.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -39.6 | 171.8 | -175.7 | 57.5 | 0 | 0 | 0 | 112.7 | V56 D57 I63 M64 L65 F80 W93 P94 L97 P107 L129 | V56-L61 HydrophobicContact CG2-CD2 4.19Å; D57-L61 PolarHBondContact O-N 3.43Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; L61-M64 HydrophobicContact CD1-CE 3.77Å; L61-M64 PolarHBondContact O-N 2.85Å; L61-L65 HydrophobicContact CG-CD1 4.41Å; L61-L65 PolarHBondContact O-N 3.29Å; L61-F80 HydrophobicContact CD1-CE2 4.12Å; L61-F80 HydrophobicContact CD1-CZ 4.39Å; L61-W93 HydrophobicContact CD1-CE3 4.13Å; L61-W93 HydrophobicContact CD1-CZ3 4.04Å; L61-P94 HydrophobicContact CD2-CG 3.89Å; L61-L97 HydrophobicContact CD2-CD2 4.19Å; L61-L97 HydrophobicContact CG-CD2 4.33Å; L61-P107 HydrophobicContact CD2-CB 4.06Å; L61-P107 HydrophobicContact CD2-CG 3.81Å; L61-L129 HydrophobicContact CD1-CD1 4.17Å |
| 62 | E | 85.7 | Confident | 80.3 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 173 | -77.8 | -175.9 | -156 | 0 | 0 | 112.4 | R58 K59 L65 L66 L97 G100 | R58-E62 IonicContact CZ-OE1 2.69Å; R58-E62 IonicContact NE-OE1 2.67Å; R58-E62 PolarHBondContact NE-OE1 2.9Å; R58-E62 IonicContact NH2-OE1 2.66Å; R58-E62 PolarHBondContact NH2-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CB 3.19Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.09Å; K59-E62 PolarHBondContact O-N 3.49Å; E62-L65 PolarHBondContact O-N 3.41Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.91Å; E62-L97 HydrophobicContact CG-CD2 3.94Å; E62-G100 PolarHBondContact OE2-N 3.04Å |
| 63 | I | 83.8 | Confident | 78.4 | Confident | 92 Ų | 92 | 68 Ų | 68 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -40 | 174.9 | -70.9 | 163.4 | 0 | 0 | 0 | 111.5 | K59 K60 L61 L65 L66 A67 | K59-I63 HydrophobicContact CG-CD1 4.13Å; K59-I63 WeakPolarHBondContact O-CD1 3.3Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.08Å; K59-I63 PolarHBondContact O-N 3.4Å; K60-I63 PolarHBondContact O-N 3Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; I63-L65 VanDerWaalsContact C-N 3.35Å; I63-L66 PolarHBondContact O-N 3.24Å; I63-A67 PolarHBondContact O-N 2.9Å |
| 64 | M | 82.9 | Confident | 77 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 178.7 | -162.5 | 176.9 | 71.4 | 0 | 0 | 112.4 | K60 L61 A68 F79 F80 L129 | K60-M64 PolarHBondContact O-N 3.45Å; K60-M64 VanDerWaalsContact O-N 3.09Å; L61-M64 HydrophobicContact CD1-CE 3.77Å; L61-M64 PolarHBondContact O-N 2.85Å; M64-A68 PolarHBondContact O-N 2.85Å; M64-F79 HydrophobicContact CE-CB 4.46Å; M64-F79 HydrophobicContact CE-CD1 3.7Å; M64-F79 HydrophobicContact CE-CE1 4.42Å; M64-F79 HydrophobicContact CE-CG 4.36Å; M64-F79 HydrophobicContact SD-CB 4.02Å; M64-F79 HydrophobicContact SD-CD1 3.61Å; M64-F79 HydrophobicContact SD-CE1 4.28Å; M64-F79 HydrophobicContact SD-CG 3.82Å; M64-F80 HydrophobicContact CE-CD2 3.97Å; M64-F80 HydrophobicContact CE-CE2 3.37Å; M64-F80 HydrophobicContact CE-CZ 3.97Å; M64-L129 HydrophobicContact CE-CD1 4.19Å; M64-L129 HydrophobicContact CE-CD2 4.13Å; M64-L129 HydrophobicContact SD-CD2 3.94Å |
| 65 | L | 84 | Confident | 76.4 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 170.9 | -77 | 167 | 0 | 0 | 0 | 112.5 | L61 E62 I63 A68 S69 W93 S95 L97 I99 | L61-L65 HydrophobicContact CG-CD1 4.41Å; L61-L65 PolarHBondContact O-N 3.29Å; E62-L65 PolarHBondContact O-N 3.41Å; I63-L65 VanDerWaalsContact C-N 3.35Å; L65-A68 PolarHBondContact O-N 3.05Å; L65-S69 PolarHBondContact O-N 3.45Å; L65-W93 HydrophobicContact CD1-CZ3 4.48Å; L65-W93 HydrophobicContact CD2-CH2 3.67Å; L65-W93 HydrophobicContact CD2-CZ3 3.7Å; L65-W93 HydrophobicContact CG-CZ3 4.18Å; L65-S95 WeakPolarHBondContact CD2-O 3.41Å; L65-L97 HydrophobicContact CD1-CB 3.84Å; L65-I99 HydrophobicContact CB-CD1 4.2Å; L65-I99 HydrophobicContact CB-CG1 4.47Å |
| 66 | L | 81.5 | Confident | 76.1 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175 | -81.2 | 162.9 | 0 | 0 | 0 | 112 | E62 I63 A68 S69 E70 I99 | E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.91Å; I63-L66 PolarHBondContact O-N 3.24Å; L66-A68 PolarHBondContact O-N 3.47Å; L66-S69 PolarHBondContact O-N 2.84Å; L66-S69 PolarHBondContact O-OG 2.79Å; L66-E70 PolarHBondContact O-N 3.35Å; L66-E70 VanDerWaalsContact O-N 3.11Å; L66-I99 HydrophobicContact CD1-CG2 3.95Å; L66-I99 HydrophobicContact CD2-CD1 4.26Å; L66-I99 HydrophobicContact CD2-CG2 4.09Å; L66-I99 HydrophobicContact CG-CD1 4.19Å; L66-I99 HydrophobicContact CG-CG2 3.97Å |
| 67 | A | 77.1 | Confident | 76.1 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.6 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I63 E70 R72 | I63-A67 PolarHBondContact O-N 2.9Å; A67-E70 PolarHBondContact O-N 2.93Å; A67-R72 PolarHBondContact O-N 2.94Å |
| 68 | A | 70.9 | Confident | 76.2 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M64 L65 L66 E70 G71 | M64-A68 PolarHBondContact O-N 2.85Å; L65-A68 PolarHBondContact O-N 3.05Å; L66-A68 PolarHBondContact O-N 3.47Å; A68-E70 PolarHBondContact O-N 3.07Å; A68-G71 PolarHBondContact O-N 3.45Å; A68-G71 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 68.3 | Low | 76.5 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.5 | -16.9 | 177.5 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | L65 L66 G71 | L65-S69 PolarHBondContact O-N 3.45Å; L66-S69 PolarHBondContact O-N 2.84Å; L66-S69 PolarHBondContact O-OG 2.79Å; S69-G71 VanDerWaalsContact C-N 3.31Å |
| 70 | E | 74.8 | Confident | 76.9 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.7 | 173.8 | -68.6 | 171.5 | -163.9 | 0 | 0 | 113.3 | L66 A67 A68 R72 | L66-E70 PolarHBondContact O-N 3.35Å; L66-E70 VanDerWaalsContact O-N 3.11Å; A67-E70 PolarHBondContact O-N 2.93Å; A68-E70 PolarHBondContact O-N 3.07Å; E70-R72 HydrophobicContact CB-CG 4.45Å; E70-R72 PolarHBondContact O-N 2.69Å; E70-R72 IonicContact OE1-NH2 2.66Å; E70-R72 IonicContact OE2-CZ 2.65Å; E70-R72 IonicContact OE2-NE 3.78Å; E70-R72 PolarHBondContact OE2-NE 3.01Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3Å |
| 71 | G | 60.5 | Low | 77.3 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 16.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A68 S69 | A68-G71 PolarHBondContact O-N 3.45Å; A68-G71 VanDerWaalsContact O-N 3.14Å; S69-G71 VanDerWaalsContact C-N 3.31Å |
| 72 | R | 61.6 | Low | 77.6 | Confident | 147 Ų | 147 | 66 Ų | 66 | 56% | 0.555 | 36% | 0.359 | S | S | * | . | trans | -80.9 | 126.4 | 176 | -65.7 | -168.6 | -84.7 | 136.7 | -11.8 | 109.8 | A67 E70 | A67-R72 PolarHBondContact O-N 2.94Å; E70-R72 HydrophobicContact CB-CG 4.45Å; E70-R72 PolarHBondContact O-N 2.69Å; E70-R72 IonicContact OE1-NH2 2.66Å; E70-R72 IonicContact OE2-CZ 2.65Å; E70-R72 IonicContact OE2-NE 3.78Å; E70-R72 PolarHBondContact OE2-NE 3.01Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3Å | ||
| 73 | V | 50.5 | Low | 77.8 | Confident | 126 Ų | 126 | 65 Ų | 65 | 76% | 0.764 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -53.1 | 140.7 | 173.2 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 74 | N | 59.4 | Low | 78.2 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 76.6 | 56.2 | -164.9 | -43.6 | -88.1 | 0 | 0 | 0 | 112.8 | D78 | N74-D78 VanDerWaalsContact CA-OD2 3.24Å; N74-D78 WeakPolarHBondContact CA-OD2 3.38Å; N74-D78 PolarHBondContact N-OD2 3.07Å |
| 75 | G | 74.8 | Confident | 78.7 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | trans | -68.5 | 171.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E77 D78 F79 | G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.28Å; G75-D78 PolarHBondContact N-OD2 3.4Å; G75-D78 PolarHBondContact O-N 3.32Å; G75-F79 PolarHBondContact O-N 3.11Å | ||
| 76 | G | 80.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F80 | G76-F80 WeakPolarHBondContact O-CD2 3.21Å; G76-F80 PolarHBondContact O-N 2.72Å |
| 77 | E | 85.4 | Confident | 79.6 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -52.5 | 174 | -152.7 | 72.9 | -111.5 | 0 | 0 | 110.2 | G75 F79 F80 Q81 W93 | G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.28Å; E77-F79 PolarHBondContact O-N 2.68Å; E77-F80 PolarHBondContact O-N 3.37Å; E77-F80 VanDerWaalsContact O-N 3.09Å; E77-Q81 WeakPolarHBondContact O-CB 3.41Å; E77-Q81 PolarHBondContact O-N 3.18Å; E77-W93 HydrophobicContact CB-CZ2 4.4Å; E77-W93 WeakPolarHBondContact OE1-CZ2 3.22Å; E77-W93 PolarHBondContact OE1-NE1 3.24Å; E77-W93 VanDerWaalsContact OE1-NE1 3.14Å; E77-W93 WeakPolarHBondContact OE2-CZ2 3.24Å |
| 78 | D | 86.8 | Confident | 80.2 | Confident | 81 Ų | 81 | 72 Ų | 72 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -50.3 | -43.4 | 175.3 | -41.3 | -5.3 | 0 | 0 | 0 | 111.9 | N74 G75 K82 | N74-D78 VanDerWaalsContact CA-OD2 3.24Å; N74-D78 WeakPolarHBondContact CA-OD2 3.38Å; N74-D78 PolarHBondContact N-OD2 3.07Å; G75-D78 PolarHBondContact N-OD2 3.4Å; G75-D78 PolarHBondContact O-N 3.32Å; D78-K82 WeakPolarHBondContact O-CB 3.31Å; D78-K82 PolarHBondContact O-N 2.87Å |
| 79 | F | 88.8 | Confident | 81.3 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 19% | 0.193 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 179.5 | 171.7 | -100.9 | 0 | 0 | 0 | 112.5 | M64 G75 E77 I83 V128 L129 | M64-F79 HydrophobicContact CE-CB 4.46Å; M64-F79 HydrophobicContact CE-CD1 3.7Å; M64-F79 HydrophobicContact CE-CE1 4.42Å; M64-F79 HydrophobicContact CE-CG 4.36Å; M64-F79 HydrophobicContact SD-CB 4.02Å; M64-F79 HydrophobicContact SD-CD1 3.61Å; M64-F79 HydrophobicContact SD-CE1 4.28Å; M64-F79 HydrophobicContact SD-CG 3.82Å; G75-F79 PolarHBondContact O-N 3.11Å; E77-F79 PolarHBondContact O-N 2.68Å; F79-I83 HydrophobicContact CD2-CD1 4.39Å; F79-I83 HydrophobicContact CE1-CD1 3.83Å; F79-I83 HydrophobicContact CE2-CD1 3.66Å; F79-I83 HydrophobicContact CZ-CD1 3.34Å; F79-I83 WeakPolarHBondContact O-CG1 3.36Å; F79-I83 PolarHBondContact O-N 3.49Å; F79-V128 HydrophobicContact CD2-CG1 4.48Å; F79-V128 HydrophobicContact CE1-CB 4.37Å; F79-V128 HydrophobicContact CE1-CG1 4.32Å; F79-V128 HydrophobicContact CE2-CB 3.85Å; F79-V128 HydrophobicContact CE2-CG1 3.87Å; F79-V128 HydrophobicContact CE2-CG2 3.62Å; F79-V128 HydrophobicContact CZ-CB 3.53Å; F79-V128 HydrophobicContact CZ-CG1 3.76Å; F79-V128 HydrophobicContact CZ-CG2 3.74Å; F79-L129 HydrophobicContact CE1-CD1 4.38Å |
| 80 | F | 90 | Very high | 82.4 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.6 | -41.2 | 179.3 | -74.5 | -63.9 | 0 | 0 | 0 | 112 | L61 M64 G76 E77 K82 I83 M84 I91 W93 I109 I125 L129 | L61-F80 HydrophobicContact CD1-CE2 4.12Å; L61-F80 HydrophobicContact CD1-CZ 4.39Å; M64-F80 HydrophobicContact CE-CD2 3.97Å; M64-F80 HydrophobicContact CE-CE2 3.37Å; M64-F80 HydrophobicContact CE-CZ 3.97Å; G76-F80 WeakPolarHBondContact O-CD2 3.21Å; G76-F80 PolarHBondContact O-N 2.72Å; E77-F80 PolarHBondContact O-N 3.37Å; E77-F80 VanDerWaalsContact O-N 3.09Å; F80-K82 PolarHBondContact O-N 2.93Å; F80-I83 PolarHBondContact O-N 2.96Å; F80-I83 VanDerWaalsContact O-N 3.16Å; F80-M84 WeakPolarHBondContact O-CG 3.23Å; F80-M84 PolarHBondContact O-N 3.4Å; F80-I91 HydrophobicContact CD1-CG2 3.74Å; F80-I91 HydrophobicContact CE1-CG2 4.19Å; F80-I91 HydrophobicContact CG-CG2 4.48Å; F80-W93 HydrophobicContact CD1-CG 4.45Å; F80-W93 HydrophobicContact CD2-CB 4.23Å; F80-W93 AromaticContact CD2-CD1 3.74Å; F80-W93 AromaticContact CD2-CD2 3.23Å; F80-W93 HydrophobicContact CD2-CD2 3.23Å; F80-W93 AromaticContact CD2-CE2 3.33Å; F80-W93 AromaticContact CD2-CE3 3.63Å; F80-W93 HydrophobicContact CD2-CE3 3.63Å; F80-W93 AromaticContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CH2 4.11Å; F80-W93 AromaticContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ3 4.03Å; F80-W93 AromaticContact CD2-NE1 3.67Å; F80-W93 HydrophobicContact CE1-CB 4.31Å; F80-W93 HydrophobicContact CE2-CB 3.98Å; F80-W93 AromaticContact CE2-CD2 3.3Å; F80-W93 HydrophobicContact CE2-CD2 3.3Å; F80-W93 AromaticContact CE2-CE2 3.89Å; F80-W93 AromaticContact CE2-CE3 3.24Å; F80-W93 HydrophobicContact CE2-CE3 3.24Å; F80-W93 AromaticContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CH2 4.27Å; F80-W93 HydrophobicContact CE2-CZ2 4.35Å; F80-W93 AromaticContact CE2-CZ3 3.74Å; F80-W93 HydrophobicContact CE2-CZ3 3.74Å; F80-W93 AromaticContact CG-CD1 3.85Å; F80-W93 HydrophobicContact CG-CD2 4.11Å; F80-W93 AromaticContact CG-CG 3.94Å; F80-W93 HydrophobicContact CG-CG 3.94Å; F80-W93 HydrophobicContact CZ-CB 4Å; F80-W93 HydrophobicContact CZ-CD2 4.21Å; F80-W93 HydrophobicContact CZ-CE3 4.19Å; F80-W93 HydrophobicContact CZ-CG 4.16Å; F80-I109 HydrophobicContact CE1-CD1 3.73Å; F80-I109 HydrophobicContact CZ-CD1 3.54Å; F80-I125 HydrophobicContact CD1-CD1 4.48Å; F80-I125 HydrophobicContact CD1-CG1 4.31Å; F80-I125 HydrophobicContact CE1-CD1 4.32Å; F80-I125 HydrophobicContact CE1-CG1 4.06Å; F80-I125 HydrophobicContact CE1-CG2 3.9Å; F80-L129 HydrophobicContact CE1-CD1 4.06Å; F80-L129 HydrophobicContact CE2-CD1 4.31Å; F80-L129 HydrophobicContact CZ-CD1 3.43Å; F80-L129 VanDerWaalsContact CZ-CD1 3.43Å |
| 81 | Q | 90.1 | Very high | 83.2 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 176.1 | -171 | 61.7 | 55.2 | 0 | 0 | 110.8 | E77 I83 M84 D85 | E77-Q81 WeakPolarHBondContact O-CB 3.41Å; E77-Q81 PolarHBondContact O-N 3.18Å; Q81-I83 VanDerWaalsContact C-N 3.26Å; Q81-I83 PolarHBondContact O-N 2.99Å; Q81-M84 HydrophobicContact CB-CE 4.43Å; Q81-M84 WeakPolarHBondContact O-CA 3.42Å; Q81-M84 WeakPolarHBondContact O-CB 3.34Å; Q81-M84 PolarHBondContact O-N 3.28Å; Q81-M84 VanDerWaalsContact OE1-CE 3.26Å; Q81-D85 PolarHBondContact NE2-OD1 2.83Å; Q81-D85 PolarHBondContact O-N 3.2Å |
| 82 | K | 91.3 | Very high | 84.6 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.4 | -36 | 176.4 | -177.3 | 170.2 | -176.4 | 172.1 | 0 | 113.4 | D78 F80 E86 | D78-K82 WeakPolarHBondContact O-CB 3.31Å; D78-K82 PolarHBondContact O-N 2.87Å; F80-K82 PolarHBondContact O-N 2.93Å; K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 IonicContact NZ-OE1 2.94Å; K82-E86 WeakPolarHBondContact O-CB 3.18Å; K82-E86 WeakPolarHBondContact O-CG 3.23Å; K82-E86 PolarHBondContact O-N 3.34Å |
| 83 | I | 91.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.9 | -40.6 | 174.4 | -61.8 | 176.1 | 0 | 0 | 0 | 110.7 | F79 F80 Q81 D85 T87 I91 A121 R124 I125 | F79-I83 HydrophobicContact CD2-CD1 4.39Å; F79-I83 HydrophobicContact CE1-CD1 3.83Å; F79-I83 HydrophobicContact CE2-CD1 3.66Å; F79-I83 HydrophobicContact CZ-CD1 3.34Å; F79-I83 WeakPolarHBondContact O-CG1 3.36Å; F79-I83 PolarHBondContact O-N 3.49Å; F80-I83 PolarHBondContact O-N 2.96Å; F80-I83 VanDerWaalsContact O-N 3.16Å; Q81-I83 VanDerWaalsContact C-N 3.26Å; Q81-I83 PolarHBondContact O-N 2.99Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 2.97Å; I83-T87 HydrophobicContact CG2-CG2 4.01Å; I83-T87 WeakPolarHBondContact O-CB 3.42Å; I83-T87 PolarHBondContact O-N 3.03Å; I83-T87 PolarHBondContact O-OG1 2.68Å; I83-I91 HydrophobicContact CB-CD1 3.85Å; I83-I91 HydrophobicContact CG2-CD1 3.61Å; I83-A121 HydrophobicContact CG2-CB 3.89Å; I83-R124 HydrophobicContact CD1-CB 3.95Å; I83-I125 HydrophobicContact CD1-CG1 3.85Å |
| 84 | M | 91.6 | Very high | 87.7 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 17% | 0.167 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 174.7 | -70.3 | -166.7 | -68.9 | 0 | 0 | 111.1 | F80 Q81 Q88 T89 I91 | F80-M84 WeakPolarHBondContact O-CG 3.23Å; F80-M84 PolarHBondContact O-N 3.4Å; Q81-M84 HydrophobicContact CB-CE 4.43Å; Q81-M84 WeakPolarHBondContact O-CA 3.42Å; Q81-M84 WeakPolarHBondContact O-CB 3.34Å; Q81-M84 PolarHBondContact O-N 3.28Å; Q81-M84 VanDerWaalsContact OE1-CE 3.26Å; M84-Q88 WeakPolarHBondContact O-CA 3.4Å; M84-Q88 PolarHBondContact O-N 2.82Å; M84-T89 VanDerWaalsContact CA-O 3.25Å; M84-T89 WeakPolarHBondContact CA-O 3.26Å; M84-T89 WeakPolarHBondContact CB-O 3.38Å; M84-T89 WeakPolarHBondContact CG-O 3.23Å; M84-T89 PolarHBondContact O-N 3.15Å; M84-T89 VanDerWaalsContact O-N 3.13Å; M84-I91 HydrophobicContact CG-CB 3.7Å; M84-I91 HydrophobicContact CG-CD1 3.6Å; M84-I91 HydrophobicContact CG-CG1 3.68Å; M84-I91 HydrophobicContact SD-CB 3.96Å; M84-I91 PolarHBondContact SD-N 2.97Å |
| 85 | D | 92.3 | Very high | 88.7 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -52.2 | -179.5 | -58.8 | -25.4 | 0 | 0 | 0 | 111.8 | Q81 I83 T87 Q88 | Q81-D85 PolarHBondContact NE2-OD1 2.83Å; Q81-D85 PolarHBondContact O-N 3.2Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 2.97Å; D85-T87 PolarHBondContact O-N 3.48Å; D85-Q88 PolarHBondContact O-NE2 3.46Å |
| 86 | E | 93.7 | Very high | 88.8 | Confident | 104 Ų | 104 | 63 Ų | 63 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.2 | -33.1 | -176.5 | -72.6 | 179.1 | -170.4 | 0 | 0 | 113.3 | K82 R124 | K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 IonicContact NZ-OE1 2.94Å; K82-E86 WeakPolarHBondContact O-CB 3.18Å; K82-E86 WeakPolarHBondContact O-CG 3.23Å; K82-E86 PolarHBondContact O-N 3.34Å; E86-R124 IonicContact OE2-CZ 2.68Å; E86-R124 IonicContact OE2-NH1 2.89Å; E86-R124 PolarHBondContact OE2-NH1 2.85Å; E86-R124 IonicContact OE2-NH2 2.75Å; E86-R124 PolarHBondContact OE2-NH2 2.99Å |
| 87 | T | 91.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -96.2 | -5.7 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | I83 D85 T89 N117 E120 A121 | I83-T87 HydrophobicContact CG2-CG2 4.01Å; I83-T87 WeakPolarHBondContact O-CB 3.42Å; I83-T87 PolarHBondContact O-N 3.03Å; I83-T87 PolarHBondContact O-OG1 2.68Å; D85-T87 PolarHBondContact O-N 3.48Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 2.97Å; T87-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T89 PolarHBondContact OG1-OG1 2.84Å; T87-N117 WeakPolarHBondContact O-CB 3.46Å; T87-N117 PolarHBondContact O-ND2 3.44Å; T87-E120 HydrophobicContact CG2-CB 4.5Å; T87-E120 HydrophobicContact CG2-CG 4.42Å; T87-E120 WeakPolarHBondContact CG2-OE1 3.36Å; T87-A121 HydrophobicContact CG2-CB 4.09Å |
| 88 | Q | 90.4 | Very high | 88.6 | Confident | 147 Ų | 147 | 67.9 Ų | 67.9 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 47.3 | -172.5 | -59 | -72 | -71.5 | 0 | 0 | 112 | M84 D85 | M84-Q88 WeakPolarHBondContact O-CA 3.4Å; M84-Q88 PolarHBondContact O-N 2.82Å; D85-Q88 PolarHBondContact O-NE2 3.46Å |
| 89 | T | 93 | Very high | 88.3 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | trans | -121.9 | 154.9 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | M84 T87 V111 C112 N117 V118 A121 | M84-T89 VanDerWaalsContact CA-O 3.25Å; M84-T89 WeakPolarHBondContact CA-O 3.26Å; M84-T89 WeakPolarHBondContact CB-O 3.38Å; M84-T89 WeakPolarHBondContact CG-O 3.23Å; M84-T89 PolarHBondContact O-N 3.15Å; M84-T89 VanDerWaalsContact O-N 3.13Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 2.97Å; T87-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T89 PolarHBondContact OG1-OG1 2.84Å; T89-V111 HydrophobicContact CG2-CG1 4.32Å; T89-C112 WeakPolarHBondContact CA-O 3.46Å; T89-C112 WeakPolarHBondContact CB-O 3.33Å; T89-N117 HydrophobicContact CG2-CB 3.71Å; T89-V118 HydrophobicContact CG2-CG2 4.24Å; T89-A121 HydrophobicContact CG2-CB 4.04Å; T89-A121 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 90 | Q | 91.8 | Very high | 87.5 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 63% | 0.631 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.8 | 172.5 | -171.7 | 177.6 | 62 | 0 | 0 | 109.6 | V111 C112 | Q90-V111 WeakPolarHBondContact O-CA 3.32Å; Q90-C112 HydrophobicContact CB-CB 4.4Å; Q90-C112 PolarHBondContact N-O 2.78Å; Q90-C112 PolarHBondContact O-N 3.4Å |
| 91 | I | 92.5 | Very high | 87 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109 | -176.1 | -60.8 | 163.3 | 0 | 0 | 0 | 109.8 | F80 I83 M84 W93 I109 K110 V111 I125 | F80-I91 HydrophobicContact CD1-CG2 3.74Å; F80-I91 HydrophobicContact CE1-CG2 4.19Å; F80-I91 HydrophobicContact CG-CG2 4.48Å; I83-I91 HydrophobicContact CB-CD1 3.85Å; I83-I91 HydrophobicContact CG2-CD1 3.61Å; M84-I91 HydrophobicContact CG-CB 3.7Å; M84-I91 HydrophobicContact CG-CD1 3.6Å; M84-I91 HydrophobicContact CG-CG1 3.68Å; M84-I91 HydrophobicContact SD-CB 3.96Å; M84-I91 PolarHBondContact SD-N 2.97Å; I91-W93 HydrophobicContact CG2-CB 4.46Å; I91-I109 HydrophobicContact CG2-CG2 3.76Å; I91-K110 WeakPolarHBondContact CA-O 3.36Å; I91-V111 HydrophobicContact CG1-CG1 4.11Å; I91-V111 HydrophobicContact CG1-CG2 4.18Å; I91-V111 HydrophobicContact CG2-CG2 4.42Å; I91-I125 HydrophobicContact CD1-CD1 3.75Å; I91-I125 HydrophobicContact CG1-CD1 4.12Å; I91-I125 HydrophobicContact CG2-CD1 3.99Å |
| 92 | A | 89.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K110 | A92-K110 HydrophobicContact CB-CB 4.23Å; A92-K110 PolarHBondContact N-O 2.99Å; A92-K110 PolarHBondContact O-N 3.35Å |
| 93 | W | 89.2 | Confident | 85 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 11% | 0.114 | 39% | 0.388 | C | S | . | . | trans | -127.1 | 154.6 | -172.7 | 73.1 | -81.3 | 0 | 0 | 0 | 111.3 | L61 L65 E77 F80 I91 S95 I109 | L61-W93 HydrophobicContact CD1-CE3 4.13Å; L61-W93 HydrophobicContact CD1-CZ3 4.04Å; L65-W93 HydrophobicContact CD1-CZ3 4.48Å; L65-W93 HydrophobicContact CD2-CH2 3.67Å; L65-W93 HydrophobicContact CD2-CZ3 3.7Å; L65-W93 HydrophobicContact CG-CZ3 4.18Å; E77-W93 HydrophobicContact CB-CZ2 4.4Å; E77-W93 WeakPolarHBondContact OE1-CZ2 3.22Å; E77-W93 PolarHBondContact OE1-NE1 3.24Å; E77-W93 VanDerWaalsContact OE1-NE1 3.14Å; E77-W93 WeakPolarHBondContact OE2-CZ2 3.24Å; F80-W93 HydrophobicContact CD1-CG 4.45Å; F80-W93 HydrophobicContact CD2-CB 4.23Å; F80-W93 AromaticContact CD2-CD1 3.74Å; F80-W93 AromaticContact CD2-CD2 3.23Å; F80-W93 HydrophobicContact CD2-CD2 3.23Å; F80-W93 AromaticContact CD2-CE2 3.33Å; F80-W93 AromaticContact CD2-CE3 3.63Å; F80-W93 HydrophobicContact CD2-CE3 3.63Å; F80-W93 AromaticContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CH2 4.11Å; F80-W93 AromaticContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ3 4.03Å; F80-W93 AromaticContact CD2-NE1 3.67Å; F80-W93 HydrophobicContact CE1-CB 4.31Å; F80-W93 HydrophobicContact CE2-CB 3.98Å; F80-W93 AromaticContact CE2-CD2 3.3Å; F80-W93 HydrophobicContact CE2-CD2 3.3Å; F80-W93 AromaticContact CE2-CE2 3.89Å; F80-W93 AromaticContact CE2-CE3 3.24Å; F80-W93 HydrophobicContact CE2-CE3 3.24Å; F80-W93 AromaticContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CH2 4.27Å; F80-W93 HydrophobicContact CE2-CZ2 4.35Å; F80-W93 AromaticContact CE2-CZ3 3.74Å; F80-W93 HydrophobicContact CE2-CZ3 3.74Å; F80-W93 AromaticContact CG-CD1 3.85Å; F80-W93 HydrophobicContact CG-CD2 4.11Å; F80-W93 AromaticContact CG-CG 3.94Å; F80-W93 HydrophobicContact CG-CG 3.94Å; F80-W93 HydrophobicContact CZ-CB 4Å; F80-W93 HydrophobicContact CZ-CD2 4.21Å; F80-W93 HydrophobicContact CZ-CE3 4.19Å; F80-W93 HydrophobicContact CZ-CG 4.16Å; I91-W93 HydrophobicContact CG2-CB 4.46Å; W93-S95 VanDerWaalsContact CZ3-CA 3.45Å; W93-S95 PolarHBondContact O-N 3Å; W93-I109 HydrophobicContact CB-CD1 4.41Å; W93-I109 HydrophobicContact CB-CG1 4.21Å; W93-I109 HydrophobicContact CB-CG2 4.38Å | ||
| 94 | P | 86.3 | Confident | 83.7 | Confident | 41 Ų | 41 | 84 Ų | 84 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | trans | -85.2 | 73.3 | -173.7 | 33.1 | -33.2 | 0 | 0 | 0 | 111.9 | L61 K96 L97 P107 | L61-P94 HydrophobicContact CD2-CG 3.89Å; P94-K96 VanDerWaalsContact C-N 3.29Å; P94-K96 PolarHBondContact O-N 2.82Å; P94-L97 WeakPolarHBondContact O-CB 3.27Å; P94-L97 PolarHBondContact O-N 2.76Å; P94-P107 HydrophobicContact CG-CB 3.84Å | ||
| 95 | S | 81 | Confident | 83.1 | Confident | 48 Ų | 48 | 89 Ų | 89 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -37.6 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | L65 W93 L97 | L65-S95 WeakPolarHBondContact CD2-O 3.41Å; W93-S95 VanDerWaalsContact CZ3-CA 3.45Å; W93-S95 PolarHBondContact O-N 3Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-L97 VanDerWaalsContact O-N 3.08Å |
| 96 | K | 78.1 | Confident | 82.7 | Confident | 201 Ų | 201 | 87.3 Ų | 87.3 | 87% | 0.874 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 31.7 | 177.1 | -59.7 | 179.7 | -177.8 | 176.8 | 0 | 113.5 | P94 K98 | P94-K96 VanDerWaalsContact C-N 3.29Å; P94-K96 PolarHBondContact O-N 2.82Å; K96-K98 PolarHBondContact O-N 2.88Å |
| 97 | L | 81.3 | Confident | 82.4 | Confident | 30 Ų | 30 | 83 Ų | 83 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | trans | -68.3 | 120.5 | 178 | -172.1 | 70.1 | 0 | 0 | 0 | 110.5 | R58 L61 E62 L65 P94 S95 I99 | R58-L97 HydrophobicContact CG-CD2 4.47Å; L61-L97 HydrophobicContact CD2-CD2 4.19Å; L61-L97 HydrophobicContact CG-CD2 4.33Å; E62-L97 HydrophobicContact CG-CD2 3.94Å; L65-L97 HydrophobicContact CD1-CB 3.84Å; P94-L97 WeakPolarHBondContact O-CB 3.27Å; P94-L97 PolarHBondContact O-N 2.76Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-L97 VanDerWaalsContact O-N 3.08Å; L97-I99 PolarHBondContact O-N 3Å | ||
| 98 | K | 80.1 | Confident | 82.2 | Confident | 169 Ų | 169 | 85.3 Ų | 85.3 | 74% | 0.735 | 44% | 0.436 | S | S | * | . | trans | -64.2 | 100.9 | 176 | -173.6 | 171.2 | -177.5 | 166.9 | 0 | 111.2 | R58 K96 A101 | R58-K98 PolarHBondContact NH2-O 2.87Å; K96-K98 PolarHBondContact O-N 2.88Å; K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 4.42Å; K98-A101 HydrophobicContact CG-CB 4.16Å; K98-A101 WeakPolarHBondContact O-CB 3.29Å; K98-A101 PolarHBondContact O-N 2.88Å | ||
| 99 | I | 79.8 | Confident | 82.2 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143.8 | 176.7 | -61.1 | 160.1 | 0 | 0 | 0 | 110.4 | L65 L66 L97 A101 | L65-I99 HydrophobicContact CB-CD1 4.2Å; L65-I99 HydrophobicContact CB-CG1 4.47Å; L66-I99 HydrophobicContact CD1-CG2 3.95Å; L66-I99 HydrophobicContact CD2-CD1 4.26Å; L66-I99 HydrophobicContact CD2-CG2 4.09Å; L66-I99 HydrophobicContact CG-CD1 4.19Å; L66-I99 HydrophobicContact CG-CG2 3.97Å; L97-I99 PolarHBondContact O-N 3Å; I99-A101 PolarHBondContact O-N 2.73Å; I99-A101 VanDerWaalsContact O-N 3.09Å |
| 100 | G | 71.8 | Confident | 82.2 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -4.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | E62 K102 | E62-G100 PolarHBondContact OE2-N 3.04Å; G100-K102 PolarHBondContact O-N 2.71Å |
| 101 | A | 80.6 | Confident | 82.3 | Confident | 35 Ų | 35 | 75.1 Ų | 75.1 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | trans | -71.4 | 125.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R58 K98 I99 S103 | R58-A101 PolarHBondContact NE-O 3.43Å; R58-A101 PolarHBondContact NH2-O 3.03Å; K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 4.42Å; K98-A101 HydrophobicContact CG-CB 4.16Å; K98-A101 WeakPolarHBondContact O-CB 3.29Å; K98-A101 PolarHBondContact O-N 2.88Å; I99-A101 PolarHBondContact O-N 2.73Å; I99-A101 VanDerWaalsContact O-N 3.09Å; A101-S103 PolarHBondContact O-N 3.19Å | ||
| 102 | K | 67.1 | Low | 82.3 | Confident | 219 Ų | 219 | 75.7 Ų | 75.7 | 95% | 0.952 | 39% | 0.39 | S | S | * | . | trans | -70.8 | 38.7 | -176.7 | -59.6 | -178.5 | -179 | 176.5 | 0 | 114.5 | G100 K104 | G100-K102 PolarHBondContact O-N 2.71Å; K102-K104 PolarHBondContact O-N 3.27Å | ||
| 103 | S | 72.9 | Confident | 82.4 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | trans | -73 | 125.9 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 111 | R58 A101 K105 | R58-S103 WeakPolarHBondContact CD-O 2.95Å; A101-S103 PolarHBondContact O-N 3.19Å; S103-K105 PolarHBondContact O-N 2.82Å; S103-K105 PolarHBondContact OG-N 3.03Å | ||
| 104 | K | 64 | Low | 82.6 | Confident | 217 Ų | 217 | 75.6 Ų | 75.6 | 94% | 0.943 | 38% | 0.38 | S | S | * | . | trans | -78.6 | -1.9 | 178.9 | -161.3 | 179.4 | 177.4 | -176.9 | 0 | 113.5 | K102 | K102-K104 PolarHBondContact O-N 3.27Š| ||
| 105 | K | 79.1 | Confident | 82.7 | Confident | 140 Ų | 140 | 79 Ų | 79 | 61% | 0.609 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -101.9 | 118.8 | -176.4 | -168.3 | 175.2 | -177.6 | 179.1 | 0 | 110.5 | S103 | S103-K105 PolarHBondContact O-N 2.82Å; S103-K105 PolarHBondContact OG-N 3.03Å |
| 106 | D | 82.7 | Confident | 83.1 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.3 | 174.2 | -80 | -24.8 | 0 | 0 | 0 | 111.1 | R55 V56 H108 K132 | R55-D106 HydrophobicContact CB-CB 4.22Å; V56-D106 WeakPolarHBondContact O-CB 3.33Å; D106-H108 PolarHBondContact O-CE1 3.28Å; D106-H108 PolarHBondContact O-ND1 2.97Å; D106-K132 IonicContact OD2-NZ 3.26Å; D106-K132 PolarHBondContact OD2-NZ 3.4Å |
| 107 | P | 87.3 | Confident | 83.8 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 154.1 | 173.7 | 25.8 | -33.8 | 0 | 0 | 0 | 111.3 | R55 V56 R58 L61 P94 | R55-P107 WeakPolarHBondContact CA-O 3.42Å; V56-P107 HydrophobicContact CG2-CG 3.88Å; V56-P107 PolarHBondContact N-O 3.21Å; V56-P107 VanDerWaalsContact N-O 3.12Å; V56-P107 WeakPolarHBondContact O-CD 3.48Å; R58-P107 HydrophobicContact CB-CG 4.4Å; L61-P107 HydrophobicContact CD2-CB 4.06Å; L61-P107 HydrophobicContact CD2-CG 3.81Å; P94-P107 HydrophobicContact CG-CB 3.84Å |
| 108 | H | 87.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 72 Ų | 72 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.6 | 177.3 | -59 | 42.2 | 0 | 0 | 0 | 109 | R53 F54 R55 D106 | R53-H108 HydrophobicContact CG-CB 4.49Å; F54-H108 CarbonylContact O-C 3.57Å; F54-H108 WeakPolarHBondContact O-CA 3.49Å; R55-H108 PolarHBondContact NE-CE1 3.07Å; R55-H108 PolarHBondContact NE-NE2 3.36Å; R55-H108 PolarHBondContact NH2-NE2 3.33Å; D106-H108 PolarHBondContact O-CE1 3.28Å; D106-H108 PolarHBondContact O-ND1 2.97Å |
| 109 | I | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.6 | 172.6 | -62.1 | 179.3 | 0 | 0 | 0 | 107.4 | R53 F54 V56 F80 I91 W93 V111 I125 L129 | R53-I109 WeakPolarHBondContact CA-O 3.37Å; R53-I109 WeakPolarHBondContact CG-O 3.25Å; F54-I109 HydrophobicContact CE2-CB 4.07Å; F54-I109 HydrophobicContact CE2-CG2 4.44Å; F54-I109 HydrophobicContact CZ-CB 4.21Å; F54-I109 HydrophobicContact CZ-CG2 4.13Å; F54-I109 PolarHBondContact N-O 2.99Å; F54-I109 VanDerWaalsContact N-O 3.07Å; F54-I109 PolarHBondContact O-N 3.41Å; V56-I109 HydrophobicContact CB-CD1 4.48Å; V56-I109 HydrophobicContact CG1-CD1 3.79Å; V56-I109 HydrophobicContact CG1-CG1 4.37Å; V56-I109 HydrophobicContact CG2-CD1 3.87Å; V56-I109 HydrophobicContact CG2-CG1 4.26Å; F80-I109 HydrophobicContact CE1-CD1 3.73Å; F80-I109 HydrophobicContact CZ-CD1 3.54Å; I91-I109 HydrophobicContact CG2-CG2 3.76Å; W93-I109 HydrophobicContact CB-CD1 4.41Å; W93-I109 HydrophobicContact CB-CG1 4.21Å; W93-I109 HydrophobicContact CB-CG2 4.38Å; I109-V111 HydrophobicContact CG2-CG2 4.21Å; I109-I125 HydrophobicContact CD1-CG2 3.8Å; I109-L129 HydrophobicContact CD1-CD1 4.01Å |
| 110 | K | 92.2 | Very high | 85.1 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.6 | 168.6 | -72.7 | 169.8 | 150.6 | -104.9 | 0 | 108.6 | E51 E52 R53 I91 A92 | E51-K110 WeakPolarHBondContact OE1-CE 3.42Å; E51-K110 WeakPolarHBondContact OE1-CG 3.22Å; E51-K110 IonicContact OE1-NZ 3.1Å; E51-K110 PolarHBondContact OE1-NZ 3.01Å; E51-K110 IonicContact OE2-NZ 3.77Å; E51-K110 PolarHBondContact OE2-NZ 3.33Å; E52-K110 CarbonylContact O-C 3.58Å; E52-K110 WeakPolarHBondContact O-CA 3.49Å; R53-K110 HydrophobicContact CB-CG 4.3Å; R53-K110 HydrophobicContact CG-CG 3.94Å; I91-K110 WeakPolarHBondContact CA-O 3.36Å; A92-K110 HydrophobicContact CB-CB 4.23Å; A92-K110 PolarHBondContact N-O 2.99Å; A92-K110 PolarHBondContact O-N 3.35Å |
| 111 | V | 94.4 | Very high | 86 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.4 | 174 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | E51 E52 F54 T89 Q90 I91 I109 V118 A121 I125 | E51-V111 WeakPolarHBondContact CA-O 3.25Å; E52-V111 PolarHBondContact N-O 3.19Å; E52-V111 PolarHBondContact O-N 2.95Å; F54-V111 HydrophobicContact CE1-CG2 3.61Å; F54-V111 HydrophobicContact CZ-CG2 3.93Å; T89-V111 HydrophobicContact CG2-CG1 4.32Å; Q90-V111 WeakPolarHBondContact O-CA 3.32Å; I91-V111 HydrophobicContact CG1-CG1 4.11Å; I91-V111 HydrophobicContact CG1-CG2 4.18Å; I91-V111 HydrophobicContact CG2-CG2 4.42Å; I109-V111 HydrophobicContact CG2-CG2 4.21Å; V111-V118 HydrophobicContact CB-CG1 4.28Å; V111-V118 HydrophobicContact CG1-CB 4.4Å; V111-V118 HydrophobicContact CG1-CG1 4.12Å; V111-V118 HydrophobicContact CG1-CG2 4.25Å; V111-A121 HydrophobicContact CG1-CB 3.8Å; V111-I125 HydrophobicContact CG2-CD1 3.78Å |
| 112 | C | 91.9 | Very high | 86.3 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.5 | -177.2 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | W49 T50 T89 Q90 | W49-C112 HydrophobicContact CZ2-CB 4.5Å; T50-C112 WeakPolarHBondContact O-CA 3.21Å; T89-C112 WeakPolarHBondContact CA-O 3.46Å; T89-C112 WeakPolarHBondContact CB-O 3.33Å; Q90-C112 HydrophobicContact CB-CB 4.4Å; Q90-C112 PolarHBondContact N-O 2.78Å; Q90-C112 PolarHBondContact O-N 3.4Å |
| 113 | G | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | -161.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W49 T50 V118 | W49-G113 WeakPolarHBondContact CA-O 3.37Å; T50-G113 PolarHBondContact N-O 2.63Å; T50-G113 PolarHBondContact O-N 3.25Å; T50-G113 VanDerWaalsContact O-N 3.14Å; G113-V118 VanDerWaalsContact N-CG2 3.31Å |
| 114 | K | 92.7 | Very high | 87.7 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 142.4 | 170.6 | -78.7 | 177 | 174.3 | -81.4 | 0 | 111.3 | E48 D116 N117 V118 | E48-K114 HydrophobicContact CB-CG 4.41Å; E48-K114 IonicContact OE2-NZ 2.65Å; E48-K114 PolarHBondContact OE2-NZ 2.96Å; K114-D116 PolarHBondContact O-N 3.34Å; K114-N117 HydrophobicContact CB-CB 4.23Å; K114-N117 WeakPolarHBondContact O-CB 3.39Å; K114-N117 PolarHBondContact O-N 3.43Å; K114-V118 VanDerWaalsContact O-CG2 3.31Å; K114-V118 WeakPolarHBondContact O-CG2 3.45Å; K114-V118 PolarHBondContact O-N 3.09Å |
| 115 | R | 88.9 | Confident | 88.8 | Confident | 112 Ų | 112 | 51.9 Ų | 51.9 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -46.9 | -48.8 | -174.3 | -173.4 | 172.6 | -64.4 | 108.7 | 7.6 | 115.3 | P47 E48 R119 | P47-R115 PolarHBondContact O-NH2 2.88Å; E48-R115 PolarHBondContact O-N 2.97Å; R115-R119 PolarHBondContact O-N 3.1Å |
| 116 | D | 89.8 | Confident | 89 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -77.8 | -38.1 | -177.6 | -62.1 | -64.4 | 0 | 0 | 0 | 112.1 | K114 V118 R119 E120 | K114-D116 PolarHBondContact O-N 3.34Å; D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.13Å; D116-R119 WeakPolarHBondContact O-CA 3.35Å; D116-R119 WeakPolarHBondContact O-CB 3.44Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 VanDerWaalsContact O-N 3.1Å; D116-R119 IonicContact OD1-CZ 3.2Å; D116-R119 VanDerWaalsContact OD1-CZ 3.26Å; D116-R119 IonicContact OD1-NH1 2.66Å; D116-R119 PolarHBondContact OD1-NH1 2.68Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.13Å; D116-E120 PolarHBondContact O-N 3.45Å |
| 117 | N | 92 | Very high | 88.7 | Confident | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 171.2 | -59.2 | 47.8 | 0 | 0 | 0 | 111.8 | T87 T89 K114 R119 E120 A121 | T87-N117 WeakPolarHBondContact O-CB 3.46Å; T87-N117 PolarHBondContact O-ND2 3.44Å; T89-N117 HydrophobicContact CG2-CB 3.71Å; K114-N117 HydrophobicContact CB-CB 4.23Å; K114-N117 WeakPolarHBondContact O-CB 3.39Å; K114-N117 PolarHBondContact O-N 3.43Å; N117-R119 VanDerWaalsContact C-N 3.34Å; N117-E120 PolarHBondContact O-N 3.16Å; N117-A121 VanDerWaalsContact O-CB 3.25Å; N117-A121 WeakPolarHBondContact O-CB 3.16Å; N117-A121 PolarHBondContact O-N 3.44Å |
| 118 | V | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | E52 T89 V111 G113 K114 D116 K122 | E52-V118 HydrophobicContact CB-CG1 3.83Å; T89-V118 HydrophobicContact CG2-CG2 4.24Å; V111-V118 HydrophobicContact CB-CG1 4.28Å; V111-V118 HydrophobicContact CG1-CB 4.4Å; V111-V118 HydrophobicContact CG1-CG1 4.12Å; V111-V118 HydrophobicContact CG1-CG2 4.25Å; G113-V118 VanDerWaalsContact N-CG2 3.31Å; K114-V118 VanDerWaalsContact O-CG2 3.31Å; K114-V118 WeakPolarHBondContact O-CG2 3.45Å; K114-V118 PolarHBondContact O-N 3.09Å; D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.13Å; V118-K122 WeakPolarHBondContact O-CB 3.31Å; V118-K122 PolarHBondContact O-N 3.26Å |
| 119 | R | 87 | Confident | 87.9 | Confident | 130 Ų | 130 | 48.6 Ų | 48.6 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 173.8 | -169.6 | -169.3 | -62.2 | 124.5 | 8.8 | 111.1 | R115 D116 N117 K122 D123 | R115-R119 PolarHBondContact O-N 3.1Å; D116-R119 WeakPolarHBondContact O-CA 3.35Å; D116-R119 WeakPolarHBondContact O-CB 3.44Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 VanDerWaalsContact O-N 3.1Å; D116-R119 IonicContact OD1-CZ 3.2Å; D116-R119 VanDerWaalsContact OD1-CZ 3.26Å; D116-R119 IonicContact OD1-NH1 2.66Å; D116-R119 PolarHBondContact OD1-NH1 2.68Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.13Å; N117-R119 VanDerWaalsContact C-N 3.34Å; R119-K122 PolarHBondContact O-N 2.63Å; R119-D123 PolarHBondContact O-N 2.87Å |
| 120 | E | 89 | Confident | 87 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -51.6 | 178.6 | -166.3 | -157.3 | 133.4 | 0 | 0 | 111.3 | T87 D116 N117 K122 D123 R124 | T87-E120 HydrophobicContact CG2-CB 4.5Å; T87-E120 HydrophobicContact CG2-CG 4.42Å; T87-E120 WeakPolarHBondContact CG2-OE1 3.36Å; D116-E120 PolarHBondContact O-N 3.45Å; N117-E120 PolarHBondContact O-N 3.16Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.99Å; E120-D123 PolarHBondContact O-N 3.44Å; E120-D123 VanDerWaalsContact O-N 3.12Å; E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.44Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.09Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 WeakPolarHBondContact OE1-CD 3.23Å; E120-R124 IonicContact OE1-NH1 3Å; E120-R124 PolarHBondContact OE1-NH1 3.47Å |
| 121 | A | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.2 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | I83 T87 T89 V111 N117 R124 I125 | I83-A121 HydrophobicContact CG2-CB 3.89Å; T87-A121 HydrophobicContact CG2-CB 4.09Å; T89-A121 HydrophobicContact CG2-CB 4.04Å; T89-A121 WeakPolarHBondContact OG1-CB 3.39Å; V111-A121 HydrophobicContact CG1-CB 3.8Å; N117-A121 VanDerWaalsContact O-CB 3.25Å; N117-A121 WeakPolarHBondContact O-CB 3.16Å; N117-A121 PolarHBondContact O-N 3.44Å; A121-R124 PolarHBondContact O-N 3.44Å; A121-I125 WeakPolarHBondContact O-CB 3.15Å; A121-I125 VanDerWaalsContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CD1 3.4Å; A121-I125 WeakPolarHBondContact O-CG1 3.14Å; A121-I125 PolarHBondContact O-N 2.74Å |
| 122 | K | 88.1 | Confident | 84.3 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 173.5 | 166.3 | 178 | 143.5 | -166.3 | 0 | 112.4 | E52 F54 V118 R119 E120 R124 I125 M126 | E52-K122 HydrophobicContact CG-CD 4.29Å; E52-K122 WeakPolarHBondContact OE1-CE 3.46Å; E52-K122 IonicContact OE1-NZ 2.67Å; E52-K122 PolarHBondContact OE1-NZ 2.83Å; E52-K122 WeakPolarHBondContact OE2-CD 3.41Å; E52-K122 IonicContact OE2-NZ 2.9Å; E52-K122 PolarHBondContact OE2-NZ 2.83Å; F54-K122 HydrophobicContact CD1-CB 4.31Å; F54-K122 HydrophobicContact CD1-CD 3.91Å; F54-K122 HydrophobicContact CD1-CG 3.82Å; F54-K122 HydrophobicContact CE1-CB 3.7Å; F54-K122 HydrophobicContact CE1-CD 4.16Å; F54-K122 HydrophobicContact CE1-CG 3.64Å; F54-K122 HydrophobicContact CG-CG 4.47Å; F54-K122 HydrophobicContact CZ-CB 4.22Å; F54-K122 HydrophobicContact CZ-CG 4.16Å; V118-K122 WeakPolarHBondContact O-CB 3.31Å; V118-K122 PolarHBondContact O-N 3.26Å; R119-K122 PolarHBondContact O-N 2.63Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.99Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 3.35Å; K122-I125 PolarHBondContact O-N 3.15Å; K122-M126 HydrophobicContact CG-CG 4.15Å; K122-M126 VanDerWaalsContact O-CB 3.28Å; K122-M126 WeakPolarHBondContact O-CB 3.14Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.33Å; K122-M126 PolarHBondContact O-N 2.73Å |
| 123 | D | 83.6 | Confident | 83.2 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | -177 | -92.8 | -20.3 | 0 | 0 | 0 | 111.8 | R119 E120 S127 K360 | R119-D123 PolarHBondContact O-N 2.87Å; E120-D123 PolarHBondContact O-N 3.44Å; E120-D123 VanDerWaalsContact O-N 3.12Å; D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.5Å; D123-S127 PolarHBondContact O-N 2.93Å; D123-K360 IonicContact OD1-NZ 3.02Å; D123-K360 PolarHBondContact OD1-NZ 2.85Å; D123-K360 IonicContact OD2-NZ 2.75Å; D123-K360 PolarHBondContact OD2-NZ 2.88Å |
| 124 | R | 85.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 170.9 | -70.1 | 175 | 58 | 157 | 3.8 | 112.2 | I83 E86 E120 A121 K122 S127 V128 | I83-R124 HydrophobicContact CD1-CB 3.95Å; E86-R124 IonicContact OE2-CZ 2.68Å; E86-R124 IonicContact OE2-NH1 2.89Å; E86-R124 PolarHBondContact OE2-NH1 2.85Å; E86-R124 IonicContact OE2-NH2 2.75Å; E86-R124 PolarHBondContact OE2-NH2 2.99Å; E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.44Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.09Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 WeakPolarHBondContact OE1-CD 3.23Å; E120-R124 IonicContact OE1-NH1 3Å; E120-R124 PolarHBondContact OE1-NH1 3.47Å; A121-R124 PolarHBondContact O-N 3.44Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 3.35Å; R124-S127 PolarHBondContact O-N 2.86Å; R124-V128 PolarHBondContact O-N 2.71Å |
| 125 | I | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.7 | -65.9 | 160.4 | 0 | 0 | 0 | 110.7 | F54 V56 F80 I83 I91 I109 V111 A121 K122 V128 L129 | F54-I125 HydrophobicContact CE2-CB 4.29Å; F54-I125 HydrophobicContact CE2-CG2 3.7Å; F54-I125 HydrophobicContact CZ-CB 4.03Å; F54-I125 HydrophobicContact CZ-CD1 4Å; F54-I125 HydrophobicContact CZ-CG2 3.82Å; V56-I125 HydrophobicContact CG1-CG2 4.37Å; F80-I125 HydrophobicContact CD1-CD1 4.48Å; F80-I125 HydrophobicContact CD1-CG1 4.31Å; F80-I125 HydrophobicContact CE1-CD1 4.32Å; F80-I125 HydrophobicContact CE1-CG1 4.06Å; F80-I125 HydrophobicContact CE1-CG2 3.9Å; I83-I125 HydrophobicContact CD1-CG1 3.85Å; I91-I125 HydrophobicContact CD1-CD1 3.75Å; I91-I125 HydrophobicContact CG1-CD1 4.12Å; I91-I125 HydrophobicContact CG2-CD1 3.99Å; I109-I125 HydrophobicContact CD1-CG2 3.8Å; V111-I125 HydrophobicContact CG2-CD1 3.78Å; A121-I125 WeakPolarHBondContact O-CB 3.15Å; A121-I125 VanDerWaalsContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CD1 3.4Å; A121-I125 WeakPolarHBondContact O-CG1 3.14Å; A121-I125 PolarHBondContact O-N 2.74Å; K122-I125 PolarHBondContact O-N 3.15Å; I125-V128 PolarHBondContact O-N 3.31Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.39Å; I125-L129 PolarHBondContact O-N 2.91Å |
| 126 | M | 82.6 | Confident | 82.7 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 21% | 0.207 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.4 | -38.2 | -178.8 | -73.7 | -67.9 | -72.1 | 0 | 0 | 112.2 | F54 V56 K122 V128 L129 D130 | F54-M126 HydrophobicContact CD2-CG 3.99Å; F54-M126 HydrophobicContact CD2-SD 3.44Å; F54-M126 WeakPolarHBondContact CD2-SD 3.42Å; F54-M126 HydrophobicContact CE2-CG 3.93Å; F54-M126 HydrophobicContact CE2-SD 3.8Å; F54-M126 HydrophobicContact CG-SD 4.3Å; V56-M126 HydrophobicContact CG1-SD 4.05Å; K122-M126 HydrophobicContact CG-CG 4.15Å; K122-M126 VanDerWaalsContact O-CB 3.28Å; K122-M126 WeakPolarHBondContact O-CB 3.14Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.33Å; K122-M126 PolarHBondContact O-N 2.73Å; M126-V128 PolarHBondContact O-N 2.91Å; M126-L129 PolarHBondContact O-N 3.19Å; M126-D130 HydrophobicContact CE-CB 3.68Å; M126-D130 WeakPolarHBondContact O-CA 3.45Å; M126-D130 VanDerWaalsContact O-CB 3.3Å; M126-D130 WeakPolarHBondContact O-CB 3.27Å; M126-D130 PolarHBondContact O-N 3.11Å; M126-D130 HydrophobicContact SD-CB 4.17Å |
| 127 | S | 76 | Confident | 83 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.3 | -40.7 | 172.6 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | D123 R124 | D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.5Å; D123-S127 PolarHBondContact O-N 2.93Å; R124-S127 PolarHBondContact O-N 2.86Å |
| 128 | V | 77.6 | Confident | 83.3 | Confident | 56 Ų | 56 | 50 Ų | 50 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -85.3 | -35 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | K60 F79 R124 I125 M126 | K60-V128 WeakPolarHBondContact CD-O 3.46Å; K60-V128 WeakPolarHBondContact CE-O 3.4Å; K60-V128 PolarHBondContact NZ-O 2.83Å; F79-V128 HydrophobicContact CD2-CG1 4.48Å; F79-V128 HydrophobicContact CE1-CB 4.37Å; F79-V128 HydrophobicContact CE1-CG1 4.32Å; F79-V128 HydrophobicContact CE2-CB 3.85Å; F79-V128 HydrophobicContact CE2-CG1 3.87Å; F79-V128 HydrophobicContact CE2-CG2 3.62Å; F79-V128 HydrophobicContact CZ-CB 3.53Å; F79-V128 HydrophobicContact CZ-CG1 3.76Å; F79-V128 HydrophobicContact CZ-CG2 3.74Å; R124-V128 PolarHBondContact O-N 2.71Å; I125-V128 PolarHBondContact O-N 3.31Å; M126-V128 PolarHBondContact O-N 2.91Å |
| 129 | L | 79.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -112.3 | -2.9 | -170.3 | -61.3 | -179.1 | 0 | 0 | 0 | 116.1 | V56 D57 L61 M64 F79 F80 I109 I125 M126 | V56-L129 HydrophobicContact CB-CB 3.77Å; V56-L129 HydrophobicContact CG1-CB 3.93Å; V56-L129 HydrophobicContact CG2-CB 4.29Å; V56-L129 HydrophobicContact CG2-CD1 4.35Å; D57-L129 WeakPolarHBondContact CB-O 3.16Å; D57-L129 PolarHBondContact N-O 3.02Å; L61-L129 HydrophobicContact CD1-CD1 4.17Å; M64-L129 HydrophobicContact CE-CD1 4.19Å; M64-L129 HydrophobicContact CE-CD2 4.13Å; M64-L129 HydrophobicContact SD-CD2 3.94Å; F79-L129 HydrophobicContact CE1-CD1 4.38Å; F80-L129 HydrophobicContact CE1-CD1 4.06Å; F80-L129 HydrophobicContact CE2-CD1 4.31Å; F80-L129 HydrophobicContact CZ-CD1 3.43Å; F80-L129 VanDerWaalsContact CZ-CD1 3.43Å; I109-L129 HydrophobicContact CD1-CD1 4.01Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.39Å; I125-L129 PolarHBondContact O-N 2.91Å; M126-L129 PolarHBondContact O-N 3.19Å |
| 130 | D | 72.5 | Confident | 83.9 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | trans | -100.6 | 111.4 | 168.2 | -178.9 | 36.6 | 0 | 0 | 0 | 112.1 | M126 K132 S133 | M126-D130 HydrophobicContact CE-CB 3.68Å; M126-D130 WeakPolarHBondContact O-CA 3.45Å; M126-D130 VanDerWaalsContact O-CB 3.3Å; M126-D130 WeakPolarHBondContact O-CB 3.27Å; M126-D130 PolarHBondContact O-N 3.11Å; M126-D130 HydrophobicContact SD-CB 4.17Å; D130-K132 PolarHBondContact O-N 3.11Å; D130-K132 WeakPolarHBondContact OD1-CB 3.29Å; D130-K132 WeakPolarHBondContact OD1-CD 3.37Å; D130-K132 WeakPolarHBondContact OD1-CG 3.27Å; D130-K132 PolarHBondContact OD1-N 3.2Å; D130-S133 WeakPolarHBondContact OD2-CB 3.5Å; D130-S133 PolarHBondContact OD2-N 3.33Å; D130-S133 PolarHBondContact OD2-OG 2.94Å | ||
| 131 | T | 66.5 | Low | 84.1 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.4 | 173.3 | -31.2 | 0 | 0 | 0 | 0 | 112.7 | D57 R135 | D57-T131 WeakPolarHBondContact CB-OG1 3.03Å; D57-T131 VanDerWaalsContact OD2-CB 3.25Å; D57-T131 WeakPolarHBondContact OD2-CB 3.38Å; D57-T131 PolarHBondContact OD2-OG1 3.18Å; T131-R135 WeakPolarHBondContact O-CB 3.48Å |
| 132 | K | 64.4 | Low | 84.2 | Confident | 104 Ų | 104 | 42.9 Ų | 42.9 | 45% | 0.452 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -45.5 | -171.7 | -56.7 | 155.7 | -169.6 | 153.8 | 0 | 111.9 | D106 D130 R135 | D106-K132 IonicContact OD2-NZ 3.26Å; D106-K132 PolarHBondContact OD2-NZ 3.4Å; D130-K132 PolarHBondContact O-N 3.11Å; D130-K132 WeakPolarHBondContact OD1-CB 3.29Å; D130-K132 WeakPolarHBondContact OD1-CD 3.37Å; D130-K132 WeakPolarHBondContact OD1-CG 3.27Å; D130-K132 PolarHBondContact OD1-N 3.2Å; K132-R135 VanDerWaalsContact O-CB 3.26Å; K132-R135 WeakPolarHBondContact O-CB 3.3Å; K132-R135 PolarHBondContact O-N 2.93Å |
| 133 | S | 68.9 | Low | 84.2 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 43% | 0.434 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -53.1 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 114 | D130 R135 | D130-S133 WeakPolarHBondContact OD2-CB 3.5Å; D130-S133 PolarHBondContact OD2-N 3.33Å; D130-S133 PolarHBondContact OD2-OG 2.94Å; S133-R135 PolarHBondContact O-N 3.44Å; S133-R135 VanDerWaalsContact O-N 3.15Å |
| 134 | N | 81.4 | Confident | 84.4 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 8 | 179.9 | -161.9 | 13.4 | 0 | 0 | 0 | 113.4 | R410 | N134-R410 PolarHBondContact O-NH2 3.49Å; N134-R410 PolarHBondContact OD1-NH1 2.88Å; N134-R410 PolarHBondContact OD1-NH2 2.86Å |
| 135 | R | 87.9 | Confident | 84.5 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | trans | -82.1 | 136.1 | -176.1 | -155.3 | 175.7 | 64.3 | 124 | 4.5 | 111.4 | T131 K132 S133 G190 | T131-R135 WeakPolarHBondContact O-CB 3.48Å; K132-R135 VanDerWaalsContact O-CB 3.26Å; K132-R135 WeakPolarHBondContact O-CB 3.3Å; K132-R135 PolarHBondContact O-N 2.93Å; S133-R135 PolarHBondContact O-N 3.44Å; S133-R135 VanDerWaalsContact O-N 3.15Å; R135-G190 WeakPolarHBondContact CA-O 3.25Å; R135-G190 VanDerWaalsContact CG-O 3.31Å; R135-G190 WeakPolarHBondContact CG-O 3.24Å | ||
| 136 | V | 94.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 158.8 | 173.2 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | A189 G190 P192 V195 L355 M356 F357 | V136-A189 WeakPolarHBondContact O-CA 3.31Å; V136-G190 PolarHBondContact N-O 2.73Å; V136-G190 PolarHBondContact O-N 2.9Å; V136-P192 HydrophobicContact CG1-CG 3.95Å; V136-V195 HydrophobicContact CG2-CB 3.97Å; V136-V195 HydrophobicContact CG2-CG1 4.03Å; V136-V195 HydrophobicContact CG2-CG2 3.78Å; V136-L355 HydrophobicContact CB-CD1 3.84Å; V136-L355 HydrophobicContact CG1-CD1 4.45Å; V136-L355 HydrophobicContact CG2-CD1 3.91Å; V136-M356 CarbonylContact C-O 3.57Å; V136-M356 WeakPolarHBondContact CA-O 3.26Å; V136-F357 HydrophobicContact CB-CB 4.46Å; V136-F357 HydrophobicContact CG1-CB 3.97Å |
| 137 | T | 96.3 | Very high | 85 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 112.3 | 170.3 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | S187 I188 A189 M356 | T137-S187 WeakPolarHBondContact CG2-OG 3.2Å; T137-I188 CarbonylContact C-O 3.5Å; T137-I188 VanDerWaalsContact CA-O 3.26Å; T137-I188 WeakPolarHBondContact CA-O 3.43Å; T137-A189 HydrophobicContact CG2-CB 4.28Å; T137-M356 PolarHBondContact N-O 3.19Å; T137-M356 WeakPolarHBondContact O-CB 3.25Å; T137-M356 PolarHBondContact O-N 3.47Å |
| 138 | L | 97.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 145.9 | 174.6 | -167.4 | 75.8 | 0 | 0 | 0 | 110 | S187 I188 V195 R199 L353 V354 L355 | L138-S187 CarbonylContact O-C 3.49Å; L138-S187 WeakPolarHBondContact O-CA 3.48Å; L138-I188 HydrophobicContact CB-CB 4.46Å; L138-I188 HydrophobicContact CD2-CD1 4.44Å; L138-I188 PolarHBondContact N-O 2.99Å; L138-I188 PolarHBondContact O-N 3.17Å; L138-V195 HydrophobicContact CB-CG1 3.4Å; L138-V195 VanDerWaalsContact CB-CG1 3.4Å; L138-V195 HydrophobicContact CD2-CG1 4.05Å; L138-V195 HydrophobicContact CG-CG1 4.32Å; L138-R199 HydrophobicContact CD2-CB 3.98Å; L138-R199 HydrophobicContact CD2-CG 4.06Å; L138-L353 HydrophobicContact CD1-CD1 4.17Å; L138-L353 HydrophobicContact CD1-CD2 4.08Å; L138-L353 HydrophobicContact CD1-CG 3.91Å; L138-L353 HydrophobicContact CD2-CD1 4.11Å; L138-L353 HydrophobicContact CG-CD1 4.09Å; L138-L353 HydrophobicContact CG-CG 4.39Å; L138-V354 CarbonylContact C-O 3.58Å; L138-V354 WeakPolarHBondContact CA-O 3.35Å; L138-L355 HydrophobicContact CB-CD1 4.48Å; L138-L355 HydrophobicContact CD1-CB 3.96Å; L138-L355 HydrophobicContact CD1-CD1 3.9Å |
| 139 | K | 96.3 | Very high | 86.2 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.4 | 174.3 | -68.9 | 175.9 | 162.5 | -147.9 | 0 | 110.1 | Q185 V186 V354 M356 | K139-Q185 HydrophobicContact CB-CG 4.24Å; K139-Q185 HydrophobicContact CD-CG 4.45Å; K139-Q185 HydrophobicContact CG-CG 4.46Å; K139-V186 WeakPolarHBondContact CA-O 3.34Å; K139-V354 HydrophobicContact CB-CB 4.31Å; K139-V354 PolarHBondContact N-O 3.04Å; K139-V354 PolarHBondContact O-N 3.23Å; K139-M356 HydrophobicContact CD-SD 4.19Å |
| 140 | M | 95.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154 | -176.1 | 66.1 | -173.1 | -64.8 | 0 | 0 | 111.3 | V142 V186 I188 R199 I202 R203 L353 | M140-V142 HydrophobicContact CE-CG2 4Å; M140-V142 HydrophobicContact CG-CG2 4.24Å; M140-V142 HydrophobicContact SD-CG2 4.48Å; M140-V186 HydrophobicContact CG-CB 4.11Å; M140-V186 PolarHBondContact N-O 3.11Å; M140-V186 PolarHBondContact O-N 3.43Å; M140-I188 HydrophobicContact SD-CD1 3.9Å; M140-R199 HydrophobicContact CE-CG 4.03Å; M140-R199 HydrophobicContact SD-CG 4.07Å; M140-I202 HydrophobicContact CE-CB 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.81Å; M140-I202 HydrophobicContact SD-CB 4.4Å; M140-I202 HydrophobicContact SD-CD1 4.19Å; M140-I202 HydrophobicContact SD-CG2 3.98Å; M140-R203 HydrophobicContact CE-CG 4.04Å; M140-L353 HydrophobicContact CB-CD1 3.74Å |
| 141 | D | 92.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.4 | 175.1 | -151.8 | -100.4 | 0 | 0 | 0 | 111.6 | N184 R203 | D141-N184 VanDerWaalsContact CG-CB 3.43Å; D141-N184 VanDerWaalsContact OD1-CB 3.3Å; D141-N184 WeakPolarHBondContact OD1-CB 3.23Å; D141-N184 PolarHBondContact OD1-ND2 3.21Å; D141-N184 WeakPolarHBondContact OD2-CB 3.48Å; D141-R203 VanDerWaalsContact O-CZ 3.32Å; D141-R203 PolarHBondContact O-NH1 3.19Å; D141-R203 PolarHBondContact O-NH2 2.85Å |
| 142 | V | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | trans | -135.5 | 134.2 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | M140 H144 E146 H147 N184 V186 I202 L206 | M140-V142 HydrophobicContact CE-CG2 4Å; M140-V142 HydrophobicContact CG-CG2 4.24Å; M140-V142 HydrophobicContact SD-CG2 4.48Å; V142-H144 PolarHBondContact O-N 2.97Å; V142-E146 HydrophobicContact CG1-CB 4.15Å; V142-H147 PolarHBondContact O-NE2 3.08Å; V142-N184 PolarHBondContact N-O 3.24Å; V142-N184 CarbonylContact O-C 3.57Å; V142-N184 VanDerWaalsContact O-CA 3.22Å; V142-N184 WeakPolarHBondContact O-CA 3.36Å; V142-N184 WeakPolarHBondContact O-CB 3.35Å; V142-N184 VanDerWaalsContact O-CG 3.28Å; V142-V186 HydrophobicContact CB-CG2 3.9Å; V142-V186 HydrophobicContact CG2-CB 4.45Å; V142-V186 HydrophobicContact CG2-CG2 3.83Å; V142-I202 HydrophobicContact CG2-CG2 4.09Å; V142-L206 HydrophobicContact CG1-CD2 3.67Å | ||
| 143 | S | 89.6 | Confident | 90.3 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | trans | -58.5 | 133 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | T145 E146 H147 D289 | S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 PolarHBondContact OG-N 2.99Å; S143-T145 PolarHBondContact OG-OG1 3.43Å; S143-E146 PolarHBondContact N-OE2 3.02Å; S143-E146 WeakPolarHBondContact O-CA 3.41Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.41Å; S143-H147 PolarHBondContact O-CD2 3.47Å; S143-H147 PolarHBondContact O-N 2.94Å; S143-D289 PolarHBondContact OG-OD2 3.15Å | ||
| 144 | H | 86.6 | Confident | 91.3 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.9 | 173.1 | 70.6 | -91.5 | 0 | 0 | 0 | 113.5 | V142 K182 N184 | V142-H144 PolarHBondContact O-N 2.97Å; H144-K182 HydrophobicContact CB-CB 4Å; H144-K182 HydrophobicContact CB-CD 4.45Å; H144-K182 VanDerWaalsContact CD2-CD 3.49Å; H144-K182 WeakPolarHBondContact CD2-CD 3.43Å; H144-N184 PolarHBondContact N-OD1 3.44Å; H144-N184 PolarHBondContact ND1-OD1 3.45Å |
| 145 | T | 87.4 | Confident | 91.8 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 44% | 0.436 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -25.1 | 171.8 | 68.5 | 0 | 0 | 0 | 0 | 113 | S143 S148 H149 | S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 PolarHBondContact OG-N 2.99Å; S143-T145 PolarHBondContact OG-OG1 3.43Å; T145-S148 PolarHBondContact O-OG 2.78Å; T145-H149 PolarHBondContact O-ND1 3.04Å |
| 146 | E | 89.6 | Confident | 92 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -22.5 | 179.4 | -61.4 | 175.5 | 127.8 | 0 | 0 | 112.2 | V142 S143 S148 H149 V150 L206 P207 R344 | V142-E146 HydrophobicContact CG1-CB 4.15Å; S143-E146 PolarHBondContact N-OE2 3.02Å; S143-E146 WeakPolarHBondContact O-CA 3.41Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.41Å; E146-S148 PolarHBondContact O-N 3.17Å; E146-S148 VanDerWaalsContact O-N 3.13Å; E146-H149 WeakPolarHBondContact O-CA 3.33Å; E146-H149 WeakPolarHBondContact O-CB 3.48Å; E146-H149 PolarHBondContact O-N 3.44Å; E146-V150 PolarHBondContact O-N 3.26Å; E146-V150 VanDerWaalsContact O-N 3.15Å; E146-L206 HydrophobicContact CB-CD2 3.86Å; E146-L206 HydrophobicContact CG-CD2 4.43Å; E146-P207 HydrophobicContact CG-CG 4.31Å; E146-R344 IonicContact OE1-NH2 3.05Å |
| 147 | H | 90.8 | Very high | 92 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -49.3 | -42.9 | 179.8 | -68.6 | -178.4 | 0 | 0 | 0 | 112.8 | V142 S143 H149 V150 I151 F171 | V142-H147 PolarHBondContact O-NE2 3.08Å; S143-H147 PolarHBondContact O-CD2 3.47Å; S143-H147 PolarHBondContact O-N 2.94Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.82Å; H147-V150 PolarHBondContact O-N 3.21Å; H147-I151 HydrophobicContact CB-CD1 4.37Å; H147-I151 VanDerWaalsContact O-CB 3.28Å; H147-I151 WeakPolarHBondContact O-CB 3.45Å; H147-I151 WeakPolarHBondContact O-CD1 3.29Å; H147-I151 WeakPolarHBondContact O-CG1 3.28Å; H147-I151 PolarHBondContact O-N 3.42Å; H147-F171 HydrophobicContact CB-CD1 3.89Å; H147-F171 HydrophobicContact CB-CE1 4.27Å; H147-F171 AromaticContact CD2-CD1 3.85Å; H147-F171 AromaticContact CG-CD1 3.58Å; H147-F171 AromaticContact ND1-CD1 3.88Å |
| 148 | S | 90.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 44.5 Ų | 44.5 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.7 | -30.2 | 178.6 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | T145 E146 G152 | T145-S148 PolarHBondContact O-OG 2.78Å; E146-S148 PolarHBondContact O-N 3.17Å; E146-S148 VanDerWaalsContact O-N 3.13Å; S148-G152 PolarHBondContact O-N 3.19Å |
| 149 | H | 89.9 | Confident | 91.8 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77 | -43.6 | 178.1 | -61.1 | 80.5 | 0 | 0 | 0 | 110.7 | T145 E146 H147 G152 | T145-H149 PolarHBondContact O-ND1 3.04Å; E146-H149 WeakPolarHBondContact O-CA 3.33Å; E146-H149 WeakPolarHBondContact O-CB 3.48Å; E146-H149 PolarHBondContact O-N 3.44Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.82Å; H149-G152 PolarHBondContact O-N 3.48Å |
| 150 | V | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | E146 H147 N157 I158 F171 I202 L205 L206 | E146-V150 PolarHBondContact O-N 3.26Å; E146-V150 VanDerWaalsContact O-N 3.15Å; H147-V150 PolarHBondContact O-N 3.21Å; V150-N157 PolarHBondContact O-ND2 2.86Å; V150-I158 HydrophobicContact CG1-CD1 4.44Å; V150-F171 HydrophobicContact CB-CZ 4.29Å; V150-F171 HydrophobicContact CG1-CE1 4.46Å; V150-F171 HydrophobicContact CG1-CZ 3.84Å; V150-I202 HydrophobicContact CG1-CG1 4.3Å; V150-I202 HydrophobicContact CG1-CG2 4.33Å; V150-L205 HydrophobicContact CG1-CB 4.24Å; V150-L205 HydrophobicContact CG1-CD1 4.22Å; V150-L205 HydrophobicContact CG2-CB 4.34Å; V150-L206 HydrophobicContact CG2-CD2 3.58Å |
| 151 | I | 93.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.4 | -69.3 | 166.6 | 0 | 0 | 0 | 110.6 | H147 G155 N157 I158 F171 | H147-I151 HydrophobicContact CB-CD1 4.37Å; H147-I151 VanDerWaalsContact O-CB 3.28Å; H147-I151 WeakPolarHBondContact O-CB 3.45Å; H147-I151 WeakPolarHBondContact O-CD1 3.29Å; H147-I151 WeakPolarHBondContact O-CG1 3.28Å; H147-I151 PolarHBondContact O-N 3.42Å; I151-G155 CarbonylContact O-C 3.51Å; I151-G155 VanDerWaalsContact O-C 3.28Å; I151-G155 VanDerWaalsContact O-CA 3.26Å; I151-G155 WeakPolarHBondContact O-CA 3.11Å; I151-N157 WeakPolarHBondContact O-CB 3.4Å; I151-N157 PolarHBondContact O-N 2.98Å; I151-I158 HydrophobicContact CB-CG2 4.25Å; I151-I158 HydrophobicContact CG1-CG2 4.27Å; I151-I158 HydrophobicContact CG2-CG2 4.08Å; I151-I158 PolarHBondContact O-N 3.38Å; I151-F171 HydrophobicContact CD1-CB 4.19Å; I151-F171 HydrophobicContact CD1-CD1 4.17Å; I151-F171 HydrophobicContact CD1-CD2 4.1Å; I151-F171 HydrophobicContact CD1-CG 3.87Å; I151-F171 HydrophobicContact CG1-CD1 4.41Å; I151-F171 HydrophobicContact CG1-CD2 3.97Å; I151-F171 HydrophobicContact CG1-CE1 4.45Å; I151-F171 HydrophobicContact CG1-CE2 4.05Å; I151-F171 HydrophobicContact CG1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CZ 4.29Å |
| 152 | G | 90.6 | Very high | 91.8 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | trans | 72.9 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S148 H149 G154 G155 | S148-G152 PolarHBondContact O-N 3.19Å; H149-G152 PolarHBondContact O-N 3.48Å; G152-G154 PolarHBondContact O-N 3.26Å; G152-G155 PolarHBondContact O-N 3.2Å | ||
| 153 | K | 91.7 | Very high | 91.8 | Very high | 201 Ų | 201 | 63.9 Ų | 63.9 | 87% | 0.874 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -57.1 | 125.6 | 179.7 | -63.3 | 178.5 | -177.5 | 175.9 | 0 | 110.1 | G155 N156 | K153-G155 PolarHBondContact O-N 2.91Å; K153-G155 VanDerWaalsContact O-N 3.12Å; K153-N156 WeakPolarHBondContact O-CB 3.45Å; K153-N156 PolarHBondContact O-N 2.97Å; K153-N156 VanDerWaalsContact O-N 3.09Å |
| 154 | G | 89.4 | Confident | 92 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | 64.1 | 10.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G152 N156 K159 | G152-G154 PolarHBondContact O-N 3.26Å; G154-N156 PolarHBondContact O-N 3.47Å; G154-N156 PolarHBondContact O-OD1 3.41Å; G154-K159 PolarHBondContact O-NZ 2.77Å |
| 155 | G | 91.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 71.5 | 11.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I151 G152 K153 N157 I158 K159 | I151-G155 CarbonylContact O-C 3.51Å; I151-G155 VanDerWaalsContact O-C 3.28Å; I151-G155 VanDerWaalsContact O-CA 3.26Å; I151-G155 WeakPolarHBondContact O-CA 3.11Å; G152-G155 PolarHBondContact O-N 3.2Å; K153-G155 PolarHBondContact O-N 2.91Å; K153-G155 VanDerWaalsContact O-N 3.12Å; G155-N157 VanDerWaalsContact C-N 3.29Å; G155-N157 PolarHBondContact O-N 3.22Å; G155-I158 VanDerWaalsContact O-CG2 3.31Å; G155-I158 WeakPolarHBondContact O-CG2 3.46Å; G155-I158 PolarHBondContact O-N 2.88Å; G155-K159 WeakPolarHBondContact O-CB 3.46Å; G155-K159 WeakPolarHBondContact O-CD 3.36Å; G155-K159 WeakPolarHBondContact O-CG 3.29Å; G155-K159 PolarHBondContact O-N 2.8Å |
| 156 | N | 93.6 | Very high | 92.4 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.8 | -28.3 | -171.1 | -69.2 | 1.6 | 0 | 0 | 0 | 113 | K153 G154 K159 R160 | K153-N156 WeakPolarHBondContact O-CB 3.45Å; K153-N156 PolarHBondContact O-N 2.97Å; K153-N156 VanDerWaalsContact O-N 3.09Å; G154-N156 PolarHBondContact O-N 3.47Å; G154-N156 PolarHBondContact O-OD1 3.41Å; N156-K159 PolarHBondContact OD1-NZ 2.91Å; N156-R160 PolarHBondContact O-N 3.27Å |
| 157 | N | 93.9 | Very high | 92.7 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.1 | -51.9 | 177.5 | -165.1 | 12.1 | 0 | 0 | 0 | 110.6 | V150 I151 G155 K159 R160 V161 L205 | V150-N157 PolarHBondContact O-ND2 2.86Å; I151-N157 WeakPolarHBondContact O-CB 3.4Å; I151-N157 PolarHBondContact O-N 2.98Å; G155-N157 VanDerWaalsContact C-N 3.29Å; G155-N157 PolarHBondContact O-N 3.22Å; N157-K159 PolarHBondContact O-N 3.22Å; N157-R160 WeakPolarHBondContact O-CB 3.44Å; N157-R160 PolarHBondContact O-N 3.05Å; N157-V161 PolarHBondContact O-N 3.37Å; N157-V161 VanDerWaalsContact O-N 3.1Å; N157-L205 WeakPolarHBondContact ND2-CD1 3.47Å; N157-L205 VanDerWaalsContact ND2-CD2 3.29Å; N157-L205 WeakPolarHBondContact ND2-CD2 3.39Å; N157-L205 WeakPolarHBondContact OD1-CD1 3.39Å |
| 158 | I | 94.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.1 | -33.2 | 177.4 | -168.8 | 68.6 | 0 | 0 | 0 | 113.2 | V150 I151 G155 R160 V161 M162 I169 F171 | V150-I158 HydrophobicContact CG1-CD1 4.44Å; I151-I158 HydrophobicContact CB-CG2 4.25Å; I151-I158 HydrophobicContact CG1-CG2 4.27Å; I151-I158 HydrophobicContact CG2-CG2 4.08Å; I151-I158 PolarHBondContact O-N 3.38Å; G155-I158 VanDerWaalsContact O-CG2 3.31Å; G155-I158 WeakPolarHBondContact O-CG2 3.46Å; G155-I158 PolarHBondContact O-N 2.88Å; I158-R160 PolarHBondContact O-N 2.74Å; I158-V161 HydrophobicContact CD1-CB 4.41Å; I158-V161 PolarHBondContact O-N 3.32Å; I158-M162 HydrophobicContact CG1-CE 3.68Å; I158-M162 HydrophobicContact CG1-CG 4.48Å; I158-M162 HydrophobicContact CG2-CE 4.34Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å; I158-I169 HydrophobicContact CD1-CB 4.11Å; I158-I169 HydrophobicContact CD1-CD1 3.58Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CD1-CG2 3.99Å; I158-I169 HydrophobicContact CG1-CB 4.4Å; I158-I169 HydrophobicContact CG1-CD1 4.41Å; I158-F171 HydrophobicContact CD1-CE2 3.66Å; I158-F171 HydrophobicContact CD1-CZ 4.11Å; I158-F171 HydrophobicContact CG1-CE2 3.79Å |
| 159 | K | 94.5 | Very high | 93.1 | Very high | 113 Ų | 113 | 67.5 Ų | 67.5 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 172.2 | -75.9 | 165.2 | -172.4 | 161.8 | 0 | 111.2 | G154 G155 N156 N157 V161 M162 E163 | G154-K159 PolarHBondContact O-NZ 2.77Å; G155-K159 WeakPolarHBondContact O-CB 3.46Å; G155-K159 WeakPolarHBondContact O-CD 3.36Å; G155-K159 WeakPolarHBondContact O-CG 3.29Å; G155-K159 PolarHBondContact O-N 2.8Å; N156-K159 PolarHBondContact OD1-NZ 2.91Å; N157-K159 PolarHBondContact O-N 3.22Å; K159-V161 PolarHBondContact O-N 3.22Å; K159-M162 PolarHBondContact O-N 2.95Å; K159-E163 WeakPolarHBondContact O-CB 3.34Å; K159-E163 PolarHBondContact O-N 3.2Å |
| 160 | R | 94.7 | Very high | 93.2 | Very high | 154 Ų | 154 | 67.3 Ų | 67.3 | 58% | 0.581 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.8 | -47.3 | 174.4 | 179.2 | -171.9 | -66.7 | -176.6 | -3.8 | 111.3 | N156 N157 I158 M162 E163 E164 | N156-R160 PolarHBondContact O-N 3.27Å; N157-R160 WeakPolarHBondContact O-CB 3.44Å; N157-R160 PolarHBondContact O-N 3.05Å; I158-R160 PolarHBondContact O-N 2.74Å; R160-M162 PolarHBondContact O-N 2.81Å; R160-E163 PolarHBondContact O-N 3.18Å; R160-E164 WeakPolarHBondContact CD-OE1 3.26Å; R160-E164 HydrophobicContact CG-CG 4.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.45Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 VanDerWaalsContact O-CG 3.29Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.92Å |
| 161 | V | 95.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | N157 I158 K159 E163 T165 I169 A198 K201 L205 | N157-V161 PolarHBondContact O-N 3.37Å; N157-V161 VanDerWaalsContact O-N 3.1Å; I158-V161 HydrophobicContact CD1-CB 4.41Å; I158-V161 PolarHBondContact O-N 3.32Å; K159-V161 PolarHBondContact O-N 3.22Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 2.99Å; V161-T165 HydrophobicContact CG1-CG2 4.28Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 VanDerWaalsContact O-CG2 3.32Å; V161-T165 WeakPolarHBondContact O-CG2 3.39Å; V161-T165 PolarHBondContact O-N 3.4Å; V161-T165 VanDerWaalsContact O-N 3.1Å; V161-T165 PolarHBondContact O-OG1 2.86Å; V161-I169 HydrophobicContact CB-CD1 4.38Å; V161-I169 HydrophobicContact CG1-CD1 3.8Å; V161-A198 HydrophobicContact CG1-CB 4.47Å; V161-K201 HydrophobicContact CG1-CB 3.96Å; V161-K201 HydrophobicContact CG1-CD 4.4Å; V161-K201 HydrophobicContact CG2-CB 4.34Å; V161-L205 HydrophobicContact CG2-CD1 3.71Å |
| 162 | M | 94.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 67.6 Ų | 67.6 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 176.1 | -71.2 | -165.9 | -134.9 | 0 | 0 | 112.5 | I158 K159 R160 G166 C167 I169 | I158-M162 HydrophobicContact CG1-CE 3.68Å; I158-M162 HydrophobicContact CG1-CG 4.48Å; I158-M162 HydrophobicContact CG2-CE 4.34Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å; K159-M162 PolarHBondContact O-N 2.95Å; R160-M162 PolarHBondContact O-N 2.81Å; M162-G166 CarbonylContact O-C 3.55Å; M162-G166 WeakPolarHBondContact O-CA 3.38Å; M162-G166 PolarHBondContact O-N 2.9Å; M162-C167 VanDerWaalsContact CA-O 3.26Å; M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.11Å; M162-C167 WeakPolarHBondContact CG-O 3.27Å; M162-C167 PolarHBondContact O-N 2.85Å; M162-C167 VanDerWaalsContact O-N 3.09Å; M162-I169 HydrophobicContact CE-CB 4.15Å; M162-I169 WeakPolarHBondContact CE-O 3.46Å; M162-I169 HydrophobicContact CG-CB 4.04Å; M162-I169 HydrophobicContact CG-CD1 3.82Å; M162-I169 HydrophobicContact CG-CG1 3.97Å; M162-I169 HydrophobicContact SD-CB 4.35Å; M162-I169 PolarHBondContact SD-N 3.48Å |
| 163 | E | 92.9 | Very high | 91.8 | Very high | 163 Ų | 163 | 71.2 Ų | 71.2 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69 | -55 | 178.2 | -177.7 | 164.5 | -134.7 | 0 | 0 | 111.6 | K159 R160 V161 T165 G166 | K159-E163 WeakPolarHBondContact O-CB 3.34Å; K159-E163 PolarHBondContact O-N 3.2Å; R160-E163 PolarHBondContact O-N 3.18Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 2.99Å; E163-T165 PolarHBondContact O-N 3.45Å; E163-G166 PolarHBondContact O-N 2.8Å |
| 164 | E | 93.3 | Very high | 90.1 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -25.2 | 179.2 | -71.2 | 174.1 | 177.1 | 0 | 0 | 114.1 | R160 K201 | R160-E164 WeakPolarHBondContact CD-OE1 3.26Å; R160-E164 HydrophobicContact CG-CG 4.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.45Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 VanDerWaalsContact O-CG 3.29Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.92Å; E164-K201 IonicContact OE2-NZ 3.84Å; E164-K201 PolarHBondContact OE2-NZ 3.16Å |
| 165 | T | 93.7 | Very high | 88.5 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -106.7 | -4.7 | -178.8 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | V161 E163 C167 A197 A198 K201 | V161-T165 HydrophobicContact CG1-CG2 4.28Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 VanDerWaalsContact O-CG2 3.32Å; V161-T165 WeakPolarHBondContact O-CG2 3.39Å; V161-T165 PolarHBondContact O-N 3.4Å; V161-T165 VanDerWaalsContact O-N 3.1Å; V161-T165 PolarHBondContact O-OG1 2.86Å; E163-T165 PolarHBondContact O-N 3.45Å; T165-C167 PolarHBondContact O-N 2.92Å; T165-C167 PolarHBondContact O-SG 2.9Å; T165-C167 WeakPolarHBondContact OG1-CB 3.29Å; T165-A197 HydrophobicContact CG2-CB 4.16Å; T165-A198 HydrophobicContact CG2-CB 4.01Å; T165-K201 HydrophobicContact CG2-CD 4.29Å |
| 166 | G | 89.3 | Confident | 87 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 20.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M162 E163 | M162-G166 CarbonylContact O-C 3.55Å; M162-G166 WeakPolarHBondContact O-CA 3.38Å; M162-G166 PolarHBondContact O-N 2.9Å; E163-G166 PolarHBondContact O-N 2.8Å |
| 167 | C | 94.3 | Very high | 84.9 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.034 | 40% | 0.402 | C | S | . | . | trans | -113.2 | 144.3 | -170.8 | -69.4 | 0 | 0 | 0 | 0 | 112.9 | M162 T165 I188 V195 A198 | M162-C167 VanDerWaalsContact CA-O 3.26Å; M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.11Å; M162-C167 WeakPolarHBondContact CG-O 3.27Å; M162-C167 PolarHBondContact O-N 2.85Å; M162-C167 VanDerWaalsContact O-N 3.09Å; T165-C167 PolarHBondContact O-N 2.92Å; T165-C167 PolarHBondContact O-SG 2.9Å; T165-C167 WeakPolarHBondContact OG1-CB 3.29Å; C167-I188 HydrophobicContact CB-CG2 4.09Å; C167-V195 PolarHBondContact SG-N 3.44Å; C167-V195 VanDerWaalsContact SG-N 3.37Å; C167-A198 HydrophobicContact CB-CB 4.49Å | ||
| 168 | H | 93.4 | Very high | 82.7 | Confident | 119 Ų | 119 | 83.8 Ų | 83.8 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.1 | 175.4 | -176.1 | -68.1 | 0 | 0 | 0 | 110.2 | A189 | H168-A189 PolarHBondContact N-O 2.92Å; H168-A189 PolarHBondContact O-N 3.26Å |
| 169 | I | 95.6 | Very high | 80.8 | Confident | 6 Ų | 6 | 92.1 Ų | 92.1 | 3% | 0.031 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.7 | -178.2 | -54.5 | 158.3 | 0 | 0 | 0 | 109.8 | I158 V161 M162 F171 V186 S187 I188 A198 I202 | I158-I169 HydrophobicContact CD1-CB 4.11Å; I158-I169 HydrophobicContact CD1-CD1 3.58Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CD1-CG2 3.99Å; I158-I169 HydrophobicContact CG1-CB 4.4Å; I158-I169 HydrophobicContact CG1-CD1 4.41Å; V161-I169 HydrophobicContact CB-CD1 4.38Å; V161-I169 HydrophobicContact CG1-CD1 3.8Å; M162-I169 HydrophobicContact CE-CB 4.15Å; M162-I169 WeakPolarHBondContact CE-O 3.46Å; M162-I169 HydrophobicContact CG-CB 4.04Å; M162-I169 HydrophobicContact CG-CD1 3.82Å; M162-I169 HydrophobicContact CG-CG1 3.97Å; M162-I169 HydrophobicContact SD-CB 4.35Å; M162-I169 PolarHBondContact SD-N 3.48Å; I169-F171 HydrophobicContact CG2-CD2 4.24Å; I169-F171 HydrophobicContact CG2-CE2 3.67Å; I169-F171 HydrophobicContact CG2-CZ 4.37Å; I169-V186 HydrophobicContact CG2-CG1 3.86Å; I169-S187 CarbonylContact C-O 3.59Å; I169-S187 WeakPolarHBondContact CA-O 3.35Å; I169-I188 HydrophobicContact CG1-CG1 4.39Å; I169-I188 HydrophobicContact CG1-CG2 4.06Å; I169-I188 HydrophobicContact CG2-CG1 4.4Å; I169-A198 HydrophobicContact CD1-CB 4.19Å; I169-I202 HydrophobicContact CD1-CD1 4.18Å; I169-I202 HydrophobicContact CG2-CD1 4.03Å |
| 170 | H | 93.3 | Very high | 78.9 | Confident | 100 Ų | 100 | 91 Ų | 91 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.3 | -177.8 | -177.5 | -70.8 | 0 | 0 | 0 | 110.6 | S187 | H170-S187 PolarHBondContact N-O 3.14Å; H170-S187 PolarHBondContact O-N 3.32Å |
| 171 | F | 92.1 | Very high | 77.3 | Confident | 28 Ų | 28 | 90.9 Ų | 90.9 | 12% | 0.123 | 48% | 0.478 | C | S | . | . | trans | -89.1 | 146.7 | 170.9 | -71.2 | -98.4 | 0 | 0 | 0 | 109.9 | H147 V150 I151 I158 I169 V186 | H147-F171 HydrophobicContact CB-CD1 3.89Å; H147-F171 HydrophobicContact CB-CE1 4.27Å; H147-F171 AromaticContact CD2-CD1 3.85Å; H147-F171 AromaticContact CG-CD1 3.58Å; H147-F171 AromaticContact ND1-CD1 3.88Å; V150-F171 HydrophobicContact CB-CZ 4.29Å; V150-F171 HydrophobicContact CG1-CE1 4.46Å; V150-F171 HydrophobicContact CG1-CZ 3.84Å; I151-F171 HydrophobicContact CD1-CB 4.19Å; I151-F171 HydrophobicContact CD1-CD1 4.17Å; I151-F171 HydrophobicContact CD1-CD2 4.1Å; I151-F171 HydrophobicContact CD1-CG 3.87Å; I151-F171 HydrophobicContact CG1-CD1 4.41Å; I151-F171 HydrophobicContact CG1-CD2 3.97Å; I151-F171 HydrophobicContact CG1-CE1 4.45Å; I151-F171 HydrophobicContact CG1-CE2 4.05Å; I151-F171 HydrophobicContact CG1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CZ 4.29Å; I158-F171 HydrophobicContact CD1-CE2 3.66Å; I158-F171 HydrophobicContact CD1-CZ 4.11Å; I158-F171 HydrophobicContact CG1-CE2 3.79Å; I169-F171 HydrophobicContact CG2-CD2 4.24Å; I169-F171 HydrophobicContact CG2-CE2 3.67Å; I169-F171 HydrophobicContact CG2-CZ 4.37Å; F171-V186 HydrophobicContact CD1-CG1 4.21Å; F171-V186 HydrophobicContact CD1-CG2 3.62Å; F171-V186 HydrophobicContact CD2-CG1 4.46Å; F171-V186 HydrophobicContact CE1-CB 4.47Å; F171-V186 HydrophobicContact CE1-CG1 3.98Å; F171-V186 HydrophobicContact CE1-CG2 3.57Å; F171-V186 HydrophobicContact CE2-CG1 4.2Å; F171-V186 HydrophobicContact CG-CG1 4.44Å; F171-V186 HydrophobicContact CG-CG2 4.46Å; F171-V186 HydrophobicContact CZ-CG1 3.96Å; F171-V186 HydrophobicContact CZ-CG2 4.37Å | ||
| 172 | P | 85.8 | Confident | 76.1 | Confident | 29 Ų | 29 | 95.4 Ų | 95.4 | 19% | 0.188 | 50% | 0.497 | C | S | . | . | trans | -69.7 | 134 | -179.3 | 27.8 | -31.3 | 0 | 0 | 0 | 110.9 | S174 S183 Q185 | P172-S174 PolarHBondContact O-N 3.13Å; P172-S183 WeakPolarHBondContact CG-O 3.27Å; P172-Q185 WeakPolarHBondContact CD-O 3.5Å | ||
| 173 | D | 69 | Low | 75.6 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | trans | -60.6 | 96.8 | -179.9 | -88.5 | -35.8 | 0 | 0 | 0 | 111.5 | N175 R176 | D173-N175 PolarHBondContact O-N 2.97Å; D173-R176 HydrophobicContact CB-CB 3.52Å; D173-R176 PolarHBondContact O-N 3.44Å | ||
| 174 | S | 57.5 | Low | 75.4 | Confident | 60 Ų | 60 | 89 Ų | 89 | 42% | 0.42 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -4.5 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 114.5 | P172 K182 | P172-S174 PolarHBondContact O-N 3.13Å; S174-K182 WeakPolarHBondContact OG-CD 3.48Å; S174-K182 WeakPolarHBondContact OG-CE 3.22Å; S174-K182 PolarHBondContact OG-NZ 2.88Å |
| 175 | N | 54.7 | Low | 75.2 | Confident | 167 Ų | 167 | 88 Ų | 88 | 89% | 0.893 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -3.1 | 176.9 | -73.6 | -15.9 | 0 | 0 | 0 | 113.6 | D173 | D173-N175 PolarHBondContact O-N 2.97Š|
| 176 | R | 59.7 | Low | 75.3 | Confident | 198 Ų | 198 | 87.2 Ų | 87.2 | 75% | 0.747 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -108.6 | 94 | -170.9 | -167.6 | 172.3 | -178.4 | 172 | -0.8 | 112 | D173 | D173-R176 HydrophobicContact CB-CB 3.52Å; D173-R176 PolarHBondContact O-N 3.44Å |
| 177 | N | 50.7 | Low | 75.6 | Confident | 143 Ų | 143 | 85.2 Ų | 85.2 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 79.4 | 140.1 | 179.1 | -160.9 | 18 | 0 | 0 | 0 | 115.5 | ||
| 178 | N | 48.1 | Very low | 75.8 | Confident | 121 Ų | 121 | 85 Ų | 85 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | trans | 38.5 | 120 | 176.5 | -93.9 | -24.7 | 0 | 0 | 0 | 119.9 | A180 | N178-A180 PolarHBondContact O-N 2.96Å; N178-A180 VanDerWaalsContact O-N 3.12Å | ||
| 179 | Q | 53.6 | Low | 75.8 | Confident | 184 Ų | 184 | 80 Ų | 80 | 86% | 0.86 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.4 | 170.3 | -70.3 | 179.8 | -25 | 0 | 0 | 114.5 | ||
| 180 | A | 54.6 | Low | 75.7 | Confident | 91 Ų | 91 | 80 Ų | 80 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -36.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | N178 | N178-A180 PolarHBondContact O-N 2.96Å; N178-A180 VanDerWaalsContact O-N 3.12Å |
| 181 | E | 61.6 | Low | 75.6 | Confident | 150 Ų | 150 | 80.3 Ų | 80.3 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | trans | -153.1 | 105.6 | -173.4 | -158.2 | 156 | -130.3 | 0 | 0 | 111.3 | ||||
| 182 | K | 71.4 | Confident | 75.6 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | trans | -80.6 | 125.9 | 174.5 | -66.2 | -180 | 176.4 | -159 | 0 | 108.9 | H144 S174 | H144-K182 HydrophobicContact CB-CB 4Å; H144-K182 HydrophobicContact CB-CD 4.45Å; H144-K182 VanDerWaalsContact CD2-CD 3.49Å; H144-K182 WeakPolarHBondContact CD2-CD 3.43Å; S174-K182 WeakPolarHBondContact OG-CD 3.48Å; S174-K182 WeakPolarHBondContact OG-CE 3.22Å; S174-K182 PolarHBondContact OG-NZ 2.88Å | ||
| 183 | S | 82.3 | Confident | 75.9 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | trans | -66.2 | 137.9 | 177.9 | -169 | 0 | 0 | 0 | 0 | 111.5 | P172 Q185 | P172-S183 WeakPolarHBondContact CG-O 3.27Å; S183-Q185 PolarHBondContact OG-N 3.29Å | ||
| 184 | N | 89 | Confident | 77.1 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.059 | 43% | 0.427 | C | S | . | . | trans | -88.2 | -6.9 | 171.4 | -81 | 6.5 | 0 | 0 | 0 | 113.1 | D141 V142 H144 V186 | D141-N184 VanDerWaalsContact CG-CB 3.43Å; D141-N184 VanDerWaalsContact OD1-CB 3.3Å; D141-N184 WeakPolarHBondContact OD1-CB 3.23Å; D141-N184 PolarHBondContact OD1-ND2 3.21Å; D141-N184 WeakPolarHBondContact OD2-CB 3.48Å; V142-N184 PolarHBondContact N-O 3.24Å; V142-N184 CarbonylContact O-C 3.57Å; V142-N184 VanDerWaalsContact O-CA 3.22Å; V142-N184 WeakPolarHBondContact O-CA 3.36Å; V142-N184 WeakPolarHBondContact O-CB 3.35Å; V142-N184 VanDerWaalsContact O-CG 3.28Å; H144-N184 PolarHBondContact N-OD1 3.44Å; H144-N184 PolarHBondContact ND1-OD1 3.45Å; N184-V186 PolarHBondContact O-N 2.98Å; N184-V186 VanDerWaalsContact O-N 3.16Å | ||
| 185 | Q | 90.4 | Very high | 79 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 106.1 | -169.7 | -177.6 | 170.1 | 109.1 | 0 | 0 | 112.6 | K139 P172 S183 | K139-Q185 HydrophobicContact CB-CG 4.24Å; K139-Q185 HydrophobicContact CD-CG 4.45Å; K139-Q185 HydrophobicContact CG-CG 4.46Å; P172-Q185 WeakPolarHBondContact CD-O 3.5Å; S183-Q185 PolarHBondContact OG-N 3.29Å |
| 186 | V | 94.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.1 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | K139 M140 V142 I169 F171 N184 I202 | K139-V186 WeakPolarHBondContact CA-O 3.34Å; M140-V186 HydrophobicContact CG-CB 4.11Å; M140-V186 PolarHBondContact N-O 3.11Å; M140-V186 PolarHBondContact O-N 3.43Å; V142-V186 HydrophobicContact CB-CG2 3.9Å; V142-V186 HydrophobicContact CG2-CB 4.45Å; V142-V186 HydrophobicContact CG2-CG2 3.83Å; I169-V186 HydrophobicContact CG2-CG1 3.86Å; F171-V186 HydrophobicContact CD1-CG1 4.21Å; F171-V186 HydrophobicContact CD1-CG2 3.62Å; F171-V186 HydrophobicContact CD2-CG1 4.46Å; F171-V186 HydrophobicContact CE1-CB 4.47Å; F171-V186 HydrophobicContact CE1-CG1 3.98Å; F171-V186 HydrophobicContact CE1-CG2 3.57Å; F171-V186 HydrophobicContact CE2-CG1 4.2Å; F171-V186 HydrophobicContact CG-CG1 4.44Å; F171-V186 HydrophobicContact CG-CG2 4.46Å; F171-V186 HydrophobicContact CZ-CG1 3.96Å; F171-V186 HydrophobicContact CZ-CG2 4.37Å; N184-V186 PolarHBondContact O-N 2.98Å; N184-V186 VanDerWaalsContact O-N 3.16Å; V186-I202 HydrophobicContact CG1-CD1 4.49Å |
| 187 | S | 95.9 | Very high | 82.7 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.2 | 179.4 | -157.6 | 0 | 0 | 0 | 0 | 110.9 | T137 L138 I169 H170 | T137-S187 WeakPolarHBondContact CG2-OG 3.2Å; L138-S187 CarbonylContact O-C 3.49Å; L138-S187 WeakPolarHBondContact O-CA 3.48Å; I169-S187 CarbonylContact C-O 3.59Å; I169-S187 WeakPolarHBondContact CA-O 3.35Å; H170-S187 PolarHBondContact N-O 3.14Å; H170-S187 PolarHBondContact O-N 3.32Å |
| 188 | I | 97.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.9 | 179.8 | -49.5 | 175.3 | 0 | 0 | 0 | 107.7 | T137 L138 M140 C167 I169 V195 A198 R199 I202 | T137-I188 CarbonylContact C-O 3.5Å; T137-I188 VanDerWaalsContact CA-O 3.26Å; T137-I188 WeakPolarHBondContact CA-O 3.43Å; L138-I188 HydrophobicContact CB-CB 4.46Å; L138-I188 HydrophobicContact CD2-CD1 4.44Å; L138-I188 PolarHBondContact N-O 2.99Å; L138-I188 PolarHBondContact O-N 3.17Å; M140-I188 HydrophobicContact SD-CD1 3.9Å; C167-I188 HydrophobicContact CB-CG2 4.09Å; I169-I188 HydrophobicContact CG1-CG1 4.39Å; I169-I188 HydrophobicContact CG1-CG2 4.06Å; I169-I188 HydrophobicContact CG2-CG1 4.4Å; I188-V195 HydrophobicContact CB-CG1 4.2Å; I188-V195 HydrophobicContact CG2-CB 4.2Å; I188-V195 HydrophobicContact CG2-CG1 3.93Å; I188-V195 HydrophobicContact CG2-CG2 4.04Å; I188-A198 HydrophobicContact CD1-CB 4.21Å; I188-A198 HydrophobicContact CG2-CB 3.76Å; I188-R199 HydrophobicContact CD1-CB 4.18Å; I188-I202 HydrophobicContact CD1-CD1 3.64Å; I188-I202 HydrophobicContact CG1-CD1 4Å |
| 189 | A | 94.8 | Very high | 87.2 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V136 T137 H168 | V136-A189 WeakPolarHBondContact O-CA 3.31Å; T137-A189 HydrophobicContact CG2-CB 4.28Å; H168-A189 PolarHBondContact N-O 2.92Å; H168-A189 PolarHBondContact O-N 3.26Å |
| 190 | G | 92.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -156.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R135 V136 | R135-G190 WeakPolarHBondContact CA-O 3.25Å; R135-G190 VanDerWaalsContact CG-O 3.31Å; R135-G190 WeakPolarHBondContact CG-O 3.24Å; V136-G190 PolarHBondContact N-O 2.73Å; V136-G190 PolarHBondContact O-N 2.9Å |
| 191 | Q | 91 | Very high | 91.1 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | trans | -75.3 | 150.7 | 173.8 | -61.4 | -176 | 13.2 | 0 | 0 | 110.9 | A193 G194 V195 | Q191-A193 PolarHBondContact O-N 2.97Å; Q191-G194 PolarHBondContact O-N 3.01Å; Q191-V195 WeakPolarHBondContact O-CB 3.17Å; Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 2.93Å | ||
| 192 | P | 92.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.5 | -50 | -174.8 | -26.3 | 32.1 | 0 | 0 | 0 | 114.5 | V136 V195 E196 Y407 | V136-P192 HydrophobicContact CG1-CG 3.95Å; P192-V195 PolarHBondContact O-N 2.85Å; P192-E196 PolarHBondContact O-N 3.49Å; P192-E196 VanDerWaalsContact O-N 3.07Å; P192-Y407 HydrophobicContact CB-CD1 4.28Å; P192-Y407 HydrophobicContact CB-CE1 4.31Å |
| 193 | A | 92.6 | Very high | 93.8 | Very high | 78 Ų | 78 | 33 Ų | 33 | 65% | 0.645 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -65.5 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q191 E196 A197 | Q191-A193 PolarHBondContact O-N 2.97Å; A193-E196 PolarHBondContact O-N 3.12Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.87Å |
| 194 | G | 94.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 33 Ų | 33 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q191 A197 A198 | Q191-G194 PolarHBondContact O-N 3.01Å; G194-A197 PolarHBondContact O-N 3.1Å; G194-A198 VanDerWaalsContact O-CB 3.29Å; G194-A198 WeakPolarHBondContact O-CB 3.25Å; G194-A198 PolarHBondContact O-N 3.06Å |
| 195 | V | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.5 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | V136 L138 C167 I188 Q191 P192 A198 R199 | V136-V195 HydrophobicContact CG2-CB 3.97Å; V136-V195 HydrophobicContact CG2-CG1 4.03Å; V136-V195 HydrophobicContact CG2-CG2 3.78Å; L138-V195 HydrophobicContact CB-CG1 3.4Å; L138-V195 VanDerWaalsContact CB-CG1 3.4Å; L138-V195 HydrophobicContact CD2-CG1 4.05Å; L138-V195 HydrophobicContact CG-CG1 4.32Å; C167-V195 PolarHBondContact SG-N 3.44Å; C167-V195 VanDerWaalsContact SG-N 3.37Å; I188-V195 HydrophobicContact CB-CG1 4.2Å; I188-V195 HydrophobicContact CG2-CB 4.2Å; I188-V195 HydrophobicContact CG2-CG1 3.93Å; I188-V195 HydrophobicContact CG2-CG2 4.04Å; Q191-V195 WeakPolarHBondContact O-CB 3.17Å; Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 2.93Å; P192-V195 PolarHBondContact O-N 2.85Å; V195-A198 PolarHBondContact O-N 3.31Å; V195-R199 PolarHBondContact O-N 2.91Å |
| 196 | E | 95.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 30.3 Ų | 30.3 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.8 | -42.3 | 175.3 | -177 | 54.6 | -166.3 | 0 | 0 | 112 | P192 A193 A198 R199 V200 Y407 | P192-E196 PolarHBondContact O-N 3.49Å; P192-E196 VanDerWaalsContact O-N 3.07Å; A193-E196 PolarHBondContact O-N 3.12Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.78Å; E196-R199 VanDerWaalsContact CD-NE 3.3Å; E196-R199 WeakPolarHBondContact O-CB 3.48Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-R199 VanDerWaalsContact O-N 3.11Å; E196-R199 IonicContact OE1-CZ 2.72Å; E196-R199 VanDerWaalsContact OE1-CZ 3.24Å; E196-R199 IonicContact OE1-NE 2.73Å; E196-R199 PolarHBondContact OE1-NE 2.82Å; E196-R199 IonicContact OE1-NH2 3.79Å; E196-R199 PolarHBondContact OE1-NH2 3.39Å; E196-R199 WeakPolarHBondContact OE2-CD 3.34Å; E196-R199 IonicContact OE2-CZ 2.68Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.24Å; E196-V200 PolarHBondContact O-N 3.43Å; E196-Y407 HydrophobicContact CB-CE2 4.01Å; E196-Y407 HydrophobicContact CG-CE2 4.07Å; E196-Y407 WeakPolarHBondContact OE2-CE2 3.49Å; E196-Y407 PolarHBondContact OE2-OH 3.21Å |
| 197 | A | 96.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 35% | 0.347 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.1 | -37.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T165 A193 G194 K201 | T165-A197 HydrophobicContact CG2-CB 4.16Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.87Å; G194-A197 PolarHBondContact O-N 3.1Å; A197-K201 WeakPolarHBondContact O-CB 3.47Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.01Å |
| 198 | A | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V161 T165 C167 I169 I188 G194 V195 E196 I202 | V161-A198 HydrophobicContact CG1-CB 4.47Å; T165-A198 HydrophobicContact CG2-CB 4.01Å; C167-A198 HydrophobicContact CB-CB 4.49Å; I169-A198 HydrophobicContact CD1-CB 4.19Å; I188-A198 HydrophobicContact CD1-CB 4.21Å; I188-A198 HydrophobicContact CG2-CB 3.76Å; G194-A198 VanDerWaalsContact O-CB 3.29Å; G194-A198 WeakPolarHBondContact O-CB 3.25Å; G194-A198 PolarHBondContact O-N 3.06Å; V195-A198 PolarHBondContact O-N 3.31Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.78Å; A198-I202 WeakPolarHBondContact O-CB 3.46Å; A198-I202 WeakPolarHBondContact O-CD1 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.12Å |
| 199 | R | 96.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 173.6 | -173.3 | -163.7 | 65.5 | 76.6 | -1.3 | 110.7 | L138 M140 I188 V195 E196 I202 R203 E400 | L138-R199 HydrophobicContact CD2-CB 3.98Å; L138-R199 HydrophobicContact CD2-CG 4.06Å; M140-R199 HydrophobicContact CE-CG 4.03Å; M140-R199 HydrophobicContact SD-CG 4.07Å; I188-R199 HydrophobicContact CD1-CB 4.18Å; V195-R199 PolarHBondContact O-N 2.91Å; E196-R199 VanDerWaalsContact CD-NE 3.3Å; E196-R199 WeakPolarHBondContact O-CB 3.48Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-R199 VanDerWaalsContact O-N 3.11Å; E196-R199 IonicContact OE1-CZ 2.72Å; E196-R199 VanDerWaalsContact OE1-CZ 3.24Å; E196-R199 IonicContact OE1-NE 2.73Å; E196-R199 PolarHBondContact OE1-NE 2.82Å; E196-R199 IonicContact OE1-NH2 3.79Å; E196-R199 PolarHBondContact OE1-NH2 3.39Å; E196-R199 WeakPolarHBondContact OE2-CD 3.34Å; E196-R199 IonicContact OE2-CZ 2.68Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.24Å; R199-I202 PolarHBondContact O-N 2.95Å; R199-R203 PolarHBondContact O-N 2.89Å; R199-R203 VanDerWaalsContact O-N 3.16Å; R199-E400 IonicContact CZ-OE1 3.49Å; R199-E400 IonicContact NH1-OE1 3.04Å; R199-E400 PolarHBondContact NH1-OE1 3.22Å |
| 200 | V | 95.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.5 | -52.5 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | E196 I202 R203 E204 | E196-V200 PolarHBondContact O-N 3.43Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 3.41Å; V200-R203 WeakPolarHBondContact O-CA 3.39Å; V200-R203 WeakPolarHBondContact O-CB 3.48Å; V200-R203 PolarHBondContact O-N 3.01Å; V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.45Å; V200-E204 WeakPolarHBondContact O-CG 3.39Å; V200-E204 PolarHBondContact O-N 3.41Å |
| 201 | K | 95.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59 | -37.1 | 177.9 | -75.1 | -177.4 | 174 | -175.7 | 0 | 113.4 | V161 E164 T165 A197 R203 E204 L205 | V161-K201 HydrophobicContact CG1-CB 3.96Å; V161-K201 HydrophobicContact CG1-CD 4.4Å; V161-K201 HydrophobicContact CG2-CB 4.34Å; E164-K201 IonicContact OE2-NZ 3.84Å; E164-K201 PolarHBondContact OE2-NZ 3.16Å; T165-K201 HydrophobicContact CG2-CD 4.29Å; A197-K201 WeakPolarHBondContact O-CB 3.47Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.01Å; K201-R203 VanDerWaalsContact C-N 3.33Å; K201-R203 PolarHBondContact O-N 3.07Å; K201-E204 WeakPolarHBondContact CA-OE2 3.31Å; K201-E204 PolarHBondContact O-N 2.83Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.41Å; K201-L205 PolarHBondContact O-N 3.07Å |
| 202 | I | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.3 | -74.5 | 164 | 0 | 0 | 0 | 111.3 | M140 V142 V150 I169 V186 I188 A198 R199 V200 L206 | M140-I202 HydrophobicContact CE-CB 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.81Å; M140-I202 HydrophobicContact SD-CB 4.4Å; M140-I202 HydrophobicContact SD-CD1 4.19Å; M140-I202 HydrophobicContact SD-CG2 3.98Å; V142-I202 HydrophobicContact CG2-CG2 4.09Å; V150-I202 HydrophobicContact CG1-CG1 4.3Å; V150-I202 HydrophobicContact CG1-CG2 4.33Å; I169-I202 HydrophobicContact CD1-CD1 4.18Å; I169-I202 HydrophobicContact CG2-CD1 4.03Å; V186-I202 HydrophobicContact CG1-CD1 4.49Å; I188-I202 HydrophobicContact CD1-CD1 3.64Å; I188-I202 HydrophobicContact CG1-CD1 4Å; A198-I202 WeakPolarHBondContact O-CB 3.46Å; A198-I202 WeakPolarHBondContact O-CD1 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.12Å; R199-I202 PolarHBondContact O-N 2.95Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 3.41Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å |
| 203 | R | 94.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -37.2 | 176.7 | -68.6 | -56.7 | -166.6 | -158.4 | -4.5 | 112.7 | M140 D141 R199 V200 K201 L205 L206 Q257 E400 | M140-R203 HydrophobicContact CE-CG 4.04Å; D141-R203 VanDerWaalsContact O-CZ 3.32Å; D141-R203 PolarHBondContact O-NH1 3.19Å; D141-R203 PolarHBondContact O-NH2 2.85Å; R199-R203 PolarHBondContact O-N 2.89Å; R199-R203 VanDerWaalsContact O-N 3.16Å; V200-R203 WeakPolarHBondContact O-CA 3.39Å; V200-R203 WeakPolarHBondContact O-CB 3.48Å; V200-R203 PolarHBondContact O-N 3.01Å; K201-R203 VanDerWaalsContact C-N 3.33Å; K201-R203 PolarHBondContact O-N 3.07Å; R203-L205 VanDerWaalsContact C-N 3.33Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.29Å; R203-Q257 WeakPolarHBondContact O-CB 3.37Å; R203-Q257 WeakPolarHBondContact O-CG 3.15Å; R203-E400 WeakPolarHBondContact CG-OE1 3.08Å; R203-E400 IonicContact CZ-OE1 2.7Å; R203-E400 IonicContact CZ-OE2 3.21Å; R203-E400 IonicContact NE-OE1 3.18Å; R203-E400 PolarHBondContact NE-OE1 3.04Å; R203-E400 IonicContact NE-OE2 2.64Å; R203-E400 PolarHBondContact NE-OE2 3.04Å; R203-E400 IonicContact NH2-OE1 2.61Å; R203-E400 IonicContact NH2-OE2 2.8Å; R203-E400 PolarHBondContact NH2-OE2 2.8Å |
| 204 | E | 93.6 | Very high | 93.4 | Very high | 67 Ų | 67 | 25.9 Ų | 25.9 | 31% | 0.313 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 175 | -69.5 | 166.8 | 166.8 | 0 | 0 | 112.7 | V200 K201 L206 S256 Q257 N258 | V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.45Å; V200-E204 WeakPolarHBondContact O-CG 3.39Å; V200-E204 PolarHBondContact O-N 3.41Å; K201-E204 WeakPolarHBondContact CA-OE2 3.31Å; K201-E204 PolarHBondContact O-N 2.83Å; E204-L206 PolarHBondContact O-N 2.9Å; E204-S256 PolarHBondContact O-OG 3.28Å; E204-S256 VanDerWaalsContact O-OG 3.05Å; E204-Q257 CarbonylContact O-C 3.47Å; E204-Q257 PolarHBondContact O-N 2.8Å; E204-N258 HydrophobicContact CB-CB 4.07Å; E204-N258 PolarHBondContact O-N 2.95Å |
| 205 | L | 93.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.9 | 176.7 | -72 | 179.8 | 0 | 0 | 0 | 114.6 | V150 N157 V161 K201 R203 | V150-L205 HydrophobicContact CG1-CB 4.24Å; V150-L205 HydrophobicContact CG1-CD1 4.22Å; V150-L205 HydrophobicContact CG2-CB 4.34Å; N157-L205 WeakPolarHBondContact ND2-CD1 3.47Å; N157-L205 VanDerWaalsContact ND2-CD2 3.29Å; N157-L205 WeakPolarHBondContact ND2-CD2 3.39Å; N157-L205 WeakPolarHBondContact OD1-CD1 3.39Å; V161-L205 HydrophobicContact CG2-CD1 3.71Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.41Å; K201-L205 PolarHBondContact O-N 3.07Å; R203-L205 VanDerWaalsContact C-N 3.33Å |
| 206 | L | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -70.4 | 145.9 | 175.6 | -61.4 | 175.4 | 0 | 0 | 0 | 111.2 | V142 E146 V150 I202 R203 E204 Q257 M348 | V142-L206 HydrophobicContact CG1-CD2 3.67Å; E146-L206 HydrophobicContact CB-CD2 3.86Å; E146-L206 HydrophobicContact CG-CD2 4.43Å; V150-L206 HydrophobicContact CG2-CD2 3.58Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.29Å; E204-L206 PolarHBondContact O-N 2.9Å; L206-Q257 VanDerWaalsContact O-CB 3.29Å; L206-Q257 WeakPolarHBondContact O-CB 3.5Å; L206-Q257 PolarHBondContact O-N 3.21Å; L206-M348 HydrophobicContact CD1-CE 3.69Å |
| 207 | P | 92 | Very high | 89.1 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.4 | 171.8 | 29.5 | -33.7 | 0 | 0 | 0 | 110.5 | E146 V209 R344 | E146-P207 HydrophobicContact CG-CG 4.31Å; P207-V209 HydrophobicContact CB-CG2 4.4Å; P207-R344 PolarHBondContact O-NH2 3.31Å |
| 208 | L | 92.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.2 | 165.2 | 179.1 | 57.6 | 0 | 0 | 0 | 107.7 | L210 R254 G255 V260 V263 | L208-L210 HydrophobicContact CD1-CD2 4.26Å; L208-R254 WeakPolarHBondContact O-CA 3.29Å; L208-G255 PolarHBondContact N-O 3.27Å; L208-G255 PolarHBondContact O-N 3.03Å; L208-V260 HydrophobicContact CD2-CB 4.49Å; L208-V260 HydrophobicContact CD2-CG1 4.03Å; L208-V260 HydrophobicContact CD2-CG2 4.44Å; L208-V263 HydrophobicContact CD2-CB 4Å; L208-V263 HydrophobicContact CD2-CG1 3.82Å; L208-V263 HydrophobicContact CD2-CG2 4.23Å; L208-V263 HydrophobicContact CG-CG1 4.15Å |
| 209 | V | 92.8 | Very high | 85.4 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 105.6 | -176.5 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | P207 V252 I253 R254 T286 | P207-V209 HydrophobicContact CB-CG2 4.4Å; V209-V252 HydrophobicContact CG1-CG1 3.73Å; V209-I253 CarbonylContact C-O 3.6Å; V209-I253 WeakPolarHBondContact CA-O 3.48Å; V209-R254 HydrophobicContact CG1-CG 4.28Å; V209-R254 HydrophobicContact CG2-CB 4.36Å; V209-R254 HydrophobicContact CG2-CG 4.08Å; V209-T286 WeakPolarHBondContact O-CB 2.99Å; V209-T286 PolarHBondContact O-OG1 3.16Å |
| 210 | L | 94.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.7 | 171.8 | -57.7 | -174.5 | 0 | 0 | 0 | 109 | L208 I253 V263 T267 I284 V340 | L208-L210 HydrophobicContact CD1-CD2 4.26Å; L210-I253 PolarHBondContact N-O 3.18Å; L210-I253 PolarHBondContact O-N 3.04Å; L210-I253 VanDerWaalsContact O-O 3.09Å; L210-V263 HydrophobicContact CD1-CG1 3.92Å; L210-V263 HydrophobicContact CG-CG1 4.25Å; L210-T267 HydrophobicContact CD1-CG2 4.16Å; L210-I284 HydrophobicContact CB-CG2 3.92Å; L210-I284 HydrophobicContact CD1-CG2 4.42Å; L210-I284 HydrophobicContact CD2-CG2 4.23Å; L210-I284 HydrophobicContact CG-CG2 4.41Å; L210-V340 HydrophobicContact CD2-CG1 4.17Å |
| 211 | S | 92.7 | Very high | 82.3 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151.1 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | G251 I284 T285 | S211-G251 CarbonylContact C-O 3.56Å; S211-G251 WeakPolarHBondContact CA-O 3.48Å; S211-G251 WeakPolarHBondContact CB-O 3.32Å; S211-I284 CarbonylContact O-C 3.5Å; S211-I284 WeakPolarHBondContact O-CA 3.15Å; S211-T285 PolarHBondContact N-O 3.03Å; S211-T285 PolarHBondContact O-N 2.79Å; S211-T285 PolarHBondContact OG-O 3.04Å |
| 212 | F | 91 | Very high | 80.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157.8 | -175.1 | 63 | -82.4 | 0 | 0 | 0 | 109.7 | L214 F240 T250 G251 I253 L270 L271 L274 I282 I284 | F212-L214 HydrophobicContact CD2-CD2 4.15Å; F212-L214 HydrophobicContact CD2-CG 4.02Å; F212-L214 HydrophobicContact CE2-CD1 3.93Å; F212-L214 HydrophobicContact CE2-CD2 3.96Å; F212-L214 HydrophobicContact CE2-CG 3.74Å; F212-F240 HydrophobicContact CE2-CE1 4.45Å; F212-F240 AromaticContact CZ-CE1 3.95Å; F212-F240 HydrophobicContact CZ-CE1 3.95Å; F212-T250 CarbonylContact O-C 3.52Å; F212-T250 WeakPolarHBondContact O-CA 3.42Å; F212-G251 PolarHBondContact N-O 2.8Å; F212-G251 PolarHBondContact O-N 3.28Å; F212-I253 HydrophobicContact CD1-CD1 4.21Å; F212-I253 HydrophobicContact CD1-CG1 4.45Å; F212-I253 HydrophobicContact CE1-CD1 3.78Å; F212-I253 HydrophobicContact CE1-CG1 3.89Å; F212-L270 HydrophobicContact CE1-CD2 4.23Å; F212-L270 HydrophobicContact CZ-CD2 4.17Å; F212-L271 HydrophobicContact CB-CD2 4.25Å; F212-L271 HydrophobicContact CD1-CD2 4.5Å; F212-L271 HydrophobicContact CD2-CD2 3.49Å; F212-L271 VanDerWaalsContact CD2-CD2 3.49Å; F212-L271 HydrophobicContact CE2-CD2 3.84Å; F212-L271 HydrophobicContact CG-CD2 3.85Å; F212-L271 HydrophobicContact CZ-CD2 4.49Å; F212-L274 HydrophobicContact CE2-CD1 4.17Å; F212-L274 HydrophobicContact CZ-CD1 3.93Å; F212-I282 HydrophobicContact CB-CG2 3.87Å; F212-I282 HydrophobicContact CD2-CG2 4.34Å; F212-I284 HydrophobicContact CB-CD1 3.91Å |
| 213 | E | 87.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.7 | -177.3 | -61.1 | -169.2 | 158.8 | 0 | 0 | 111 | R248 T250 | E213-R248 VanDerWaalsContact OE2-CD 3.24Å; E213-R248 WeakPolarHBondContact OE2-CD 3.46Å; E213-R248 IonicContact OE2-CZ 3.58Å; E213-R248 IonicContact OE2-NE 3.77Å; E213-R248 IonicContact OE2-NH1 2.69Å; E213-R248 PolarHBondContact OE2-NH1 3.44Å; E213-T250 HydrophobicContact CG-CG2 4.46Å |
| 214 | L | 82.8 | Confident | 79 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 140.1 | 174.3 | -66.3 | 174.8 | 0 | 0 | 0 | 110.4 | F212 A216 F240 R248 A249 L274 A275 I282 | F212-L214 HydrophobicContact CD2-CD2 4.15Å; F212-L214 HydrophobicContact CD2-CG 4.02Å; F212-L214 HydrophobicContact CE2-CD1 3.93Å; F212-L214 HydrophobicContact CE2-CD2 3.96Å; F212-L214 HydrophobicContact CE2-CG 3.74Å; L214-A216 PolarHBondContact O-N 2.83Å; L214-F240 HydrophobicContact CD1-CE1 4.34Å; L214-R248 CarbonylContact O-C 3.53Å; L214-R248 VanDerWaalsContact O-CA 3.27Å; L214-R248 WeakPolarHBondContact O-CA 3.39Å; L214-A249 HydrophobicContact CB-CB 4.49Å; L214-A249 PolarHBondContact N-O 2.82Å; L214-A249 PolarHBondContact O-N 3.15Å; L214-L274 HydrophobicContact CD1-CB 4.18Å; L214-L274 HydrophobicContact CD1-CD1 4.2Å; L214-A275 HydrophobicContact CD2-CB 4.14Å; L214-I282 HydrophobicContact CD2-CD1 3.76Å |
| 215 | P | 76.7 | Confident | 78.6 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 132 | 164.9 | -19.6 | 32.2 | 0 | 0 | 0 | 110.6 | I217 M218 | P215-I217 PolarHBondContact O-N 2.88Å; P215-M218 PolarHBondContact O-N 2.73Å; P215-M218 VanDerWaalsContact O-N 3.09Å |
| 216 | A | 62.1 | Low | 78.2 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 3.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L214 M218 Y247 | L214-A216 PolarHBondContact O-N 2.83Å; A216-M218 PolarHBondContact O-N 2.89Å; A216-Y247 VanDerWaalsContact CB-C 3.42Å; A216-Y247 WeakPolarHBondContact CB-O 3.43Å; A216-Y247 PolarHBondContact N-O 2.91Å |
| 217 | I | 56.7 | Low | 77.9 | Confident | 164 Ų | 164 | 54.4 Ų | 54.4 | 84% | 0.841 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.9 | 167.9 | -46.4 | 178 | 0 | 0 | 0 | 110.2 | P215 | P215-I217 PolarHBondContact O-N 2.88Š|
| 218 | M | 60.5 | Low | 77.8 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -93.8 | 110.1 | -178.9 | -53 | -158.9 | 77.5 | 0 | 0 | 110.6 | P215 A216 S220 L274 | P215-M218 PolarHBondContact O-N 2.73Å; P215-M218 VanDerWaalsContact O-N 3.09Å; A216-M218 PolarHBondContact O-N 2.89Å; M218-S220 VanDerWaalsContact C-N 3.35Å; M218-S220 PolarHBondContact O-N 3.13Å; M218-L274 WeakPolarHBondContact CE-O 3.25Å |
| 219 | Q | 54.7 | Low | 77.6 | Confident | 197 Ų | 197 | 63 Ų | 63 | 92% | 0.921 | 35% | 0.35 | S | S | * | . | trans | -78.1 | 80 | -177 | -169.7 | 169.6 | 86.7 | 0 | 0 | 110.9 | D221 | Q219-D221 PolarHBondContact O-N 3.18Å; Q219-D221 VanDerWaalsContact O-N 3.1Å | ||
| 220 | S | 60.8 | Low | 77.5 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | trans | -74.5 | 94.7 | -176.4 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | M218 P222 F240 | M218-S220 VanDerWaalsContact C-N 3.35Å; M218-S220 PolarHBondContact O-N 3.13Å; S220-P222 WeakPolarHBondContact O-CD 3.45Å; S220-F240 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 221 | D | 65 | Low | 77.2 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | trans | -80.4 | 117.3 | 173 | -172.3 | -11 | 0 | 0 | 0 | 111.4 | Q219 S223 S224 | Q219-D221 PolarHBondContact O-N 3.18Å; Q219-D221 VanDerWaalsContact O-N 3.1Å; D221-S223 PolarHBondContact O-N 3.4Å; D221-S223 WeakPolarHBondContact OD1-CA 3.23Å; D221-S223 WeakPolarHBondContact OD1-CB 3.5Å; D221-S223 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact OD1-OG 2.88Å; D221-S223 PolarHBondContact OD2-OG 3.27Å; D221-S223 VanDerWaalsContact OD2-OG 3.05Å; D221-S224 WeakPolarHBondContact O-CB 3.5Å; D221-S224 PolarHBondContact O-N 3.42Å | ||
| 222 | P | 65.1 | Low | 77.1 | Confident | 68 Ų | 68 | 69 Ų | 69 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.3 | 173.8 | 24.4 | -31.1 | 0 | 0 | 0 | 114.2 | S220 F240 | S220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-F240 HydrophobicContact CB-CD2 3.78Å; P222-F240 HydrophobicContact CB-CE2 4.15Å; P222-F240 HydrophobicContact CG-CD2 4.23Å |
| 223 | S | 68.1 | Low | 77.2 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.7 | 179.7 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | D221 Q228 | D221-S223 PolarHBondContact O-N 3.4Å; D221-S223 WeakPolarHBondContact OD1-CA 3.23Å; D221-S223 WeakPolarHBondContact OD1-CB 3.5Å; D221-S223 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact OD1-OG 2.88Å; D221-S223 PolarHBondContact OD2-OG 3.27Å; D221-S223 VanDerWaalsContact OD2-OG 3.05Å; S223-Q228 PolarHBondContact O-NE2 3.01Å |
| 224 | S | 83.2 | Confident | 77.3 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | trans | -49.5 | 132 | 171.8 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | D221 T226 V227 Q228 | D221-S224 WeakPolarHBondContact O-CB 3.5Å; D221-S224 PolarHBondContact O-N 3.42Å; S224-T226 PolarHBondContact O-N 3.32Å; S224-V227 WeakPolarHBondContact O-CA 3.43Å; S224-V227 WeakPolarHBondContact O-CB 3.28Å; S224-V227 PolarHBondContact O-N 2.76Å; S224-Q228 PolarHBondContact O-N 3.29Å | ||
| 225 | P | 85.5 | Confident | 77.7 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 67% | 0.669 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.5 | -34 | -174.9 | 23.7 | -33.8 | 0 | 0 | 0 | 112.4 | Q228 H229 | P225-Q228 PolarHBondContact O-N 2.93Å; P225-H229 WeakPolarHBondContact O-CB 3.08Å; P225-H229 PolarHBondContact O-N 3.37Å |
| 226 | T | 86 | Confident | 78.4 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 37% | 0.368 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 174.5 | -47.6 | 0 | 0 | 0 | 0 | 111.8 | S224 H229 I230 H273 | S224-T226 PolarHBondContact O-N 3.32Å; T226-H229 PolarHBondContact O-N 2.66Å; T226-I230 HydrophobicContact CG2-CD1 4.1Å; T226-I230 VanDerWaalsContact O-CG1 3.28Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.88Å; T226-H273 WeakPolarHBondContact CB-NE2 3.22Å |
| 227 | V | 86.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | S224 S231 V238 L270 L274 | S224-V227 WeakPolarHBondContact O-CA 3.43Å; S224-V227 WeakPolarHBondContact O-CB 3.28Å; S224-V227 PolarHBondContact O-N 2.76Å; V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.35Å; V227-S231 PolarHBondContact O-N 3.02Å; V227-V238 HydrophobicContact CG1-CB 4.28Å; V227-V238 HydrophobicContact CG1-CG1 4.09Å; V227-V238 HydrophobicContact CG1-CG2 4.44Å; V227-L270 HydrophobicContact CB-CD1 4.33Å; V227-L270 HydrophobicContact CG1-CD1 3.92Å; V227-L270 HydrophobicContact CG2-CD1 3.86Å; V227-L274 HydrophobicContact CG2-CD2 4.46Å |
| 228 | Q | 88 | Confident | 81.4 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.4 | -66.3 | -165.8 | 52.2 | 0 | 0 | 111.7 | S223 S224 P225 S231 Q232 | S223-Q228 PolarHBondContact O-NE2 3.01Å; S224-Q228 PolarHBondContact O-N 3.29Å; P225-Q228 PolarHBondContact O-N 2.93Å; Q228-S231 WeakPolarHBondContact O-CB 3.3Å; Q228-S231 PolarHBondContact O-N 3.46Å; Q228-Q232 VanDerWaalsContact O-CG 3.31Å; Q228-Q232 WeakPolarHBondContact O-CG 3.46Å; Q228-Q232 PolarHBondContact O-N 2.94Å |
| 229 | H | 89.9 | Confident | 82.7 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 55% | 0.546 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.6 | -54.1 | 176.9 | -179 | -96.4 | 0 | 0 | 0 | 111.3 | P225 T226 S231 Q232 T233 | P225-H229 WeakPolarHBondContact O-CB 3.08Å; P225-H229 PolarHBondContact O-N 3.37Å; T226-H229 PolarHBondContact O-N 2.66Å; H229-S231 VanDerWaalsContact C-N 3.26Å; H229-S231 PolarHBondContact O-N 2.66Å; H229-Q232 PolarHBondContact O-N 2.85Å; H229-T233 PolarHBondContact CE1-OG1 3.43Å; H229-T233 PolarHBondContact O-N 2.88Å; H229-T233 PolarHBondContact O-OG1 3.03Å |
| 230 | I | 89.8 | Confident | 84.2 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.6 | -41 | 176.2 | -67.1 | 166.7 | 0 | 0 | 0 | 111.2 | T226 Q232 Y234 L269 | T226-I230 HydrophobicContact CG2-CD1 4.1Å; T226-I230 VanDerWaalsContact O-CG1 3.28Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.88Å; I230-Q232 VanDerWaalsContact C-N 3.35Å; I230-Q232 PolarHBondContact O-N 3.48Å; I230-Y234 HydrophobicContact CG2-CD2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.47Å; I230-Y234 PolarHBondContact O-N 2.99Å; I230-L269 HydrophobicContact CD1-CB 4.19Å |
| 231 | S | 89.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 178.3 | -152.6 | 0 | 0 | 0 | 0 | 112.2 | V227 Q228 H229 N235 L236 | V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.35Å; V227-S231 PolarHBondContact O-N 3.02Å; Q228-S231 WeakPolarHBondContact O-CB 3.3Å; Q228-S231 PolarHBondContact O-N 3.46Å; H229-S231 VanDerWaalsContact C-N 3.26Å; H229-S231 PolarHBondContact O-N 2.66Å; S231-N235 PolarHBondContact O-N 3.04Å; S231-L236 PolarHBondContact O-N 3.02Å; S231-L236 PolarHBondContact OG-O 2.84Å |
| 232 | Q | 90.5 | Very high | 85.2 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -74.6 | -54.4 | 177.6 | -68.8 | 170.4 | 17.2 | 0 | 0 | 111.5 | Q228 H229 I230 Y234 N235 | Q228-Q232 VanDerWaalsContact O-CG 3.31Å; Q228-Q232 WeakPolarHBondContact O-CG 3.46Å; Q228-Q232 PolarHBondContact O-N 2.94Å; H229-Q232 PolarHBondContact O-N 2.85Å; I230-Q232 VanDerWaalsContact C-N 3.35Å; I230-Q232 PolarHBondContact O-N 3.48Å; Q232-Y234 VanDerWaalsContact C-N 3.26Å; Q232-Y234 PolarHBondContact O-N 2.71Å; Q232-N235 PolarHBondContact O-N 3.44Å; Q232-N235 VanDerWaalsContact O-N 3.07Å |
| 233 | T | 92.3 | Very high | 85.1 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.4 | -41.6 | -178.4 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | H229 | H229-T233 PolarHBondContact CE1-OG1 3.43Å; H229-T233 PolarHBondContact O-N 2.88Å; H229-T233 PolarHBondContact O-OG1 3.03Å |
| 234 | Y | 89.8 | Confident | 84.7 | Confident | 51 Ų | 51 | 69 Ų | 69 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 7 | -177.1 | -65.2 | -72.6 | 0 | 0 | 0 | 114.2 | I230 Q232 L236 A262 R265 L269 | I230-Y234 HydrophobicContact CG2-CD2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.47Å; I230-Y234 PolarHBondContact O-N 2.99Å; Q232-Y234 VanDerWaalsContact C-N 3.26Å; Q232-Y234 PolarHBondContact O-N 2.71Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 WeakPolarHBondContact O-CD2 3.31Å; Y234-L236 PolarHBondContact O-N 3.19Å; Y234-A262 HydrophobicContact CD1-CB 3.85Å; Y234-A262 HydrophobicContact CG-CB 4.48Å; Y234-R265 HydrophobicContact CE1-CB 4.13Å; Y234-L269 HydrophobicContact CE2-CD1 3.57Å; Y234-L269 WeakPolarHBondContact OH-CD1 3.39Å |
| 235 | N | 90.6 | Very high | 83.3 | Confident | 130 Ų | 130 | 78.5 Ų | 78.5 | 70% | 0.695 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.8 | -178.5 | -72.9 | -97.8 | 0 | 0 | 0 | 113.1 | S231 Q232 | S231-N235 PolarHBondContact O-N 3.04Å; Q232-N235 PolarHBondContact O-N 3.44Å; Q232-N235 VanDerWaalsContact O-N 3.07Å |
| 236 | L | 92.2 | Very high | 81.9 | Confident | 10 Ų | 10 | 80.4 Ų | 80.4 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | trans | -104.4 | 163.4 | -179.1 | -51.4 | -178.7 | 0 | 0 | 0 | 111.1 | S231 Y234 I253 R254 V263 | S231-L236 PolarHBondContact O-N 3.02Å; S231-L236 PolarHBondContact OG-O 2.84Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 WeakPolarHBondContact O-CD2 3.31Å; Y234-L236 PolarHBondContact O-N 3.19Å; L236-I253 HydrophobicContact CB-CG2 4.25Å; L236-I253 HydrophobicContact CD1-CG2 3.98Å; L236-I253 HydrophobicContact CG-CG2 4.48Å; L236-R254 CarbonylContact C-O 3.57Å; L236-R254 WeakPolarHBondContact CA-O 3.18Å; L236-V263 HydrophobicContact CD2-CB 4.21Å; L236-V263 HydrophobicContact CD2-CG2 3.7Å | ||
| 237 | T | 90.8 | Very high | 80.7 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 54% | 0.54 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 105 | 166.6 | -55.3 | 0 | 0 | 0 | 0 | 108.6 | R254 | T237-R254 PolarHBondContact N-O 2.81Å; T237-R254 PolarHBondContact O-N 3.33Å |
| 238 | V | 90.4 | Very high | 79.7 | Confident | 21 Ų | 21 | 93.8 Ų | 93.8 | 13% | 0.127 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.6 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 110 | V227 F240 V252 L270 | V227-V238 HydrophobicContact CG1-CB 4.28Å; V227-V238 HydrophobicContact CG1-CG1 4.09Å; V227-V238 HydrophobicContact CG1-CG2 4.44Å; V238-F240 HydrophobicContact CG1-CE2 3.78Å; V238-F240 HydrophobicContact CG1-CZ 3.81Å; V238-V252 CarbonylContact C-O 3.52Å; V238-L270 HydrophobicContact CB-CD2 4.47Å; V238-L270 HydrophobicContact CG1-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CD2 3.76Å |
| 239 | S | 88 | Confident | 79.2 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 119.1 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | V252 | S239-V252 PolarHBondContact N-O 3.43Å; S239-V252 WeakPolarHBondContact O-CB 3.43Å; S239-V252 PolarHBondContact O-N 3.09Å |
| 240 | F | 86.2 | Confident | 79 | Confident | 29 Ų | 29 | 86 Ų | 86 | 13% | 0.127 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.2 | 171.2 | -59.6 | -76.7 | 0 | 0 | 0 | 110 | F212 L214 S220 P222 V238 L274 | F212-F240 HydrophobicContact CE2-CE1 4.45Å; F212-F240 AromaticContact CZ-CE1 3.95Å; F212-F240 HydrophobicContact CZ-CE1 3.95Å; L214-F240 HydrophobicContact CD1-CE1 4.34Å; S220-F240 WeakPolarHBondContact OG-CD1 3.5Å; P222-F240 HydrophobicContact CB-CD2 3.78Å; P222-F240 HydrophobicContact CB-CE2 4.15Å; P222-F240 HydrophobicContact CG-CD2 4.23Å; V238-F240 HydrophobicContact CG1-CE2 3.78Å; V238-F240 HydrophobicContact CG1-CZ 3.81Å; F240-L274 HydrophobicContact CE1-CD1 3.84Å; F240-L274 HydrophobicContact CZ-CD1 3.53Å |
| 241 | K | 80.3 | Confident | 79 | Confident | 114 Ų | 114 | 85.4 Ų | 85.4 | 50% | 0.496 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.7 | 170.7 | -68.5 | 178.3 | 178 | 173.5 | 0 | 109.6 | T250 V252 | K241-T250 PolarHBondContact N-O 2.67Å; K241-T250 PolarHBondContact O-N 3.22Å; K241-V252 HydrophobicContact CD-CG2 4.21Å; K241-V252 HydrophobicContact CG-CG2 4.43Å |
| 242 | P | 66.9 | Low | 79 | Confident | 105 Ų | 105 | 84.8 Ų | 84.8 | 68% | 0.682 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 148.5 | 177.3 | 26.3 | -34.2 | 0 | 0 | 0 | 111 | T244 | P242-T244 PolarHBondContact O-N 2.87Š|
| 243 | P | 63.7 | Low | 79.1 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 119.8 | -179.8 | -22.1 | 32 | 0 | 0 | 0 | 111.4 | R248 | P243-R248 WeakPolarHBondContact CA-O 3.47Å; P243-R248 VanDerWaalsContact CB-O 3.25Å; P243-R248 WeakPolarHBondContact CB-O 3.43Å; P243-R248 WeakPolarHBondContact CG-O 3.37Å |
| 244 | T | 58.6 | Low | 79.1 | Confident | 135 Ų | 135 | 81 Ų | 81 | 83% | 0.828 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -81.9 | -35.7 | -175.3 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | P242 | P242-T244 PolarHBondContact O-N 2.87Š|
| 245 | R | 54.7 | Low | 79.2 | Confident | 227 Ų | 227 | 79.3 Ų | 79.3 | 86% | 0.857 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -150.3 | -14.1 | 179.1 | -65.9 | -165.9 | 179.7 | -139.7 | -5.5 | 117.6 | ||
| 246 | L | 56.3 | Low | 79.2 | Confident | 143 Ų | 143 | 75.2 Ų | 75.2 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -140.6 | 40.6 | -160.2 | -69.2 | 175.3 | 0 | 0 | 0 | 116.1 | R248 | L246-R248 PolarHBondContact O-N 3.05Š|
| 247 | Y | 59.9 | Low | 79 | Confident | 207 Ų | 207 | 76.8 Ų | 76.8 | 81% | 0.812 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 46.9 | 40.6 | 174 | -61 | -87.5 | 0 | 0 | 0 | 115.1 | A216 | A216-Y247 VanDerWaalsContact CB-C 3.42Å; A216-Y247 WeakPolarHBondContact CB-O 3.43Å; A216-Y247 PolarHBondContact N-O 2.91Å |
| 248 | R | 66.6 | Low | 79.1 | Confident | 136 Ų | 136 | 78 Ų | 78 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133 | 173.6 | -80.7 | 179.7 | 172.7 | 180 | 4.2 | 110.4 | E213 L214 P243 L246 | E213-R248 VanDerWaalsContact OE2-CD 3.24Å; E213-R248 WeakPolarHBondContact OE2-CD 3.46Å; E213-R248 IonicContact OE2-CZ 3.58Å; E213-R248 IonicContact OE2-NE 3.77Å; E213-R248 IonicContact OE2-NH1 2.69Å; E213-R248 PolarHBondContact OE2-NH1 3.44Å; L214-R248 CarbonylContact O-C 3.53Å; L214-R248 VanDerWaalsContact O-CA 3.27Å; L214-R248 WeakPolarHBondContact O-CA 3.39Å; P243-R248 WeakPolarHBondContact CA-O 3.47Å; P243-R248 VanDerWaalsContact CB-O 3.25Å; P243-R248 WeakPolarHBondContact CB-O 3.43Å; P243-R248 WeakPolarHBondContact CG-O 3.37Å; L246-R248 PolarHBondContact O-N 3.05Å |
| 249 | A | 77.5 | Confident | 79.1 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 9% | 0.091 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L214 | L214-A249 HydrophobicContact CB-CB 4.49Å; L214-A249 PolarHBondContact N-O 2.82Å; L214-A249 PolarHBondContact O-N 3.15Å |
| 250 | T | 85.6 | Confident | 79.3 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 107.4 | 177.6 | -48.5 | 0 | 0 | 0 | 0 | 109.6 | F212 E213 K241 V252 | F212-T250 CarbonylContact O-C 3.52Å; F212-T250 WeakPolarHBondContact O-CA 3.42Å; E213-T250 HydrophobicContact CG-CG2 4.46Å; K241-T250 PolarHBondContact N-O 2.67Å; K241-T250 PolarHBondContact O-N 3.22Å; T250-V252 HydrophobicContact CG2-CG2 4.33Å |
| 251 | G | 88.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S211 F212 | S211-G251 CarbonylContact C-O 3.56Å; S211-G251 WeakPolarHBondContact CA-O 3.48Å; S211-G251 WeakPolarHBondContact CB-O 3.32Å; F212-G251 PolarHBondContact N-O 2.8Å; F212-G251 PolarHBondContact O-N 3.28Å |
| 252 | V | 91.1 | Very high | 80.2 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.2 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V209 V238 S239 K241 T250 R254 | V209-V252 HydrophobicContact CG1-CG1 3.73Å; V238-V252 CarbonylContact C-O 3.52Å; S239-V252 PolarHBondContact N-O 3.43Å; S239-V252 WeakPolarHBondContact O-CB 3.43Å; S239-V252 PolarHBondContact O-N 3.09Å; K241-V252 HydrophobicContact CD-CG2 4.21Å; K241-V252 HydrophobicContact CG-CG2 4.43Å; T250-V252 HydrophobicContact CG2-CG2 4.33Å; V252-R254 HydrophobicContact CG1-CG 4.47Å |
| 253 | I | 92.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127 | 179.4 | -51.7 | 171.2 | 0 | 0 | 0 | 107.2 | V209 L210 F212 L236 T267 L270 | V209-I253 CarbonylContact C-O 3.6Å; V209-I253 WeakPolarHBondContact CA-O 3.48Å; L210-I253 PolarHBondContact N-O 3.18Å; L210-I253 PolarHBondContact O-N 3.04Å; L210-I253 VanDerWaalsContact O-O 3.09Å; F212-I253 HydrophobicContact CD1-CD1 4.21Å; F212-I253 HydrophobicContact CD1-CG1 4.45Å; F212-I253 HydrophobicContact CE1-CD1 3.78Å; F212-I253 HydrophobicContact CE1-CG1 3.89Å; L236-I253 HydrophobicContact CB-CG2 4.25Å; L236-I253 HydrophobicContact CD1-CG2 3.98Å; L236-I253 HydrophobicContact CG-CG2 4.48Å; I253-T267 HydrophobicContact CD1-CG2 3.56Å; I253-T267 VanDerWaalsContact CD1-OG1 3.23Å; I253-T267 WeakPolarHBondContact CD1-OG1 3.38Å; I253-L270 HydrophobicContact CD1-CD2 3.76Å; I253-L270 HydrophobicContact CG1-CD2 3.91Å |
| 254 | R | 92.2 | Very high | 83 | Confident | 126 Ų | 126 | 71.4 Ų | 71.4 | 48% | 0.475 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.9 | 171.5 | -43.7 | -167.4 | -164.9 | -164.3 | 9 | 110.2 | L208 V209 L236 T237 V252 | L208-R254 WeakPolarHBondContact O-CA 3.29Å; V209-R254 HydrophobicContact CG1-CG 4.28Å; V209-R254 HydrophobicContact CG2-CB 4.36Å; V209-R254 HydrophobicContact CG2-CG 4.08Å; L236-R254 CarbonylContact C-O 3.57Å; L236-R254 WeakPolarHBondContact CA-O 3.18Å; T237-R254 PolarHBondContact N-O 2.81Å; T237-R254 PolarHBondContact O-N 3.33Å; V252-R254 HydrophobicContact CG1-CG 4.47Å |
| 255 | G | 91.2 | Very high | 84.6 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | -169.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L208 | L208-G255 PolarHBondContact N-O 3.27Å; L208-G255 PolarHBondContact O-N 3.03Å |
| 256 | S | 89.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.3 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 111 | E204 N258 N259 | E204-S256 PolarHBondContact O-OG 3.28Å; E204-S256 VanDerWaalsContact O-OG 3.05Å; S256-N258 PolarHBondContact O-N 3.19Å; S256-N258 VanDerWaalsContact OG-CB 3.32Å; S256-N258 WeakPolarHBondContact OG-CB 3.28Å; S256-N258 PolarHBondContact OG-N 2.8Å; S256-N258 VanDerWaalsContact OG-N 3.15Å; S256-N259 PolarHBondContact O-N 3.18Å |
| 257 | Q | 89.9 | Confident | 88.2 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -62.4 | -22.2 | 172.1 | -173.1 | 66.1 | 29 | 0 | 0 | 112.5 | R203 E204 L206 N259 V260 | R203-Q257 WeakPolarHBondContact O-CB 3.37Å; R203-Q257 WeakPolarHBondContact O-CG 3.15Å; E204-Q257 CarbonylContact O-C 3.47Å; E204-Q257 PolarHBondContact O-N 2.8Å; L206-Q257 VanDerWaalsContact O-CB 3.29Å; L206-Q257 WeakPolarHBondContact O-CB 3.5Å; L206-Q257 PolarHBondContact O-N 3.21Å; Q257-N259 PolarHBondContact O-N 2.9Å; Q257-V260 WeakPolarHBondContact O-CG2 3.46Å |
| 258 | N | 90.9 | Very high | 89.7 | Confident | 112 Ų | 112 | 46.7 Ų | 46.7 | 60% | 0.599 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -59 | -28.4 | 170.1 | -170 | 21.6 | 0 | 0 | 0 | 112.5 | E204 S256 | E204-N258 HydrophobicContact CB-CB 4.07Å; E204-N258 PolarHBondContact O-N 2.95Å; S256-N258 PolarHBondContact O-N 3.19Å; S256-N258 VanDerWaalsContact OG-CB 3.32Å; S256-N258 WeakPolarHBondContact OG-CB 3.28Å; S256-N258 PolarHBondContact OG-N 2.8Å; S256-N258 VanDerWaalsContact OG-N 3.15Å |
| 259 | N | 90.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -123.7 | 44.9 | -174.2 | -157.1 | -4.9 | 0 | 0 | 0 | 113.1 | S256 Q257 N261 A262 V263 | S256-N259 PolarHBondContact O-N 3.18Å; Q257-N259 PolarHBondContact O-N 2.9Å; N259-N261 PolarHBondContact O-N 3.49Å; N259-N261 VanDerWaalsContact O-N 3.08Å; N259-A262 HydrophobicContact CB-CB 4.33Å; N259-A262 VanDerWaalsContact ND2-CB 3.34Å; N259-A262 WeakPolarHBondContact ND2-CB 3.38Å; N259-A262 PolarHBondContact O-N 2.98Å; N259-A262 WeakPolarHBondContact OD1-CB 3.48Å; N259-A262 PolarHBondContact OD1-N 3.05Å; N259-V263 WeakPolarHBondContact O-CG2 3.4Å; N259-V263 PolarHBondContact O-N 3.09Å |
| 260 | V | 92.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -49 | -38.6 | 177.9 | -169 | 0 | 0 | 0 | 0 | 111.9 | L208 Q257 A262 V263 K264 C341 | L208-V260 HydrophobicContact CD2-CB 4.49Å; L208-V260 HydrophobicContact CD2-CG1 4.03Å; L208-V260 HydrophobicContact CD2-CG2 4.44Å; Q257-V260 WeakPolarHBondContact O-CG2 3.46Å; V260-A262 PolarHBondContact O-N 3.03Å; V260-V263 PolarHBondContact O-N 2.96Å; V260-K264 HydrophobicContact CG1-CD 4.31Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.38Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 3Å; V260-C341 HydrophobicContact CG1-CB 4.46Å |
| 261 | N | 93.9 | Very high | 91.7 | Very high | 108 Ų | 108 | 41.2 Ų | 41.2 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.1 | -26.2 | -176.6 | -65.1 | -20.5 | 0 | 0 | 0 | 113.6 | N259 R265 | N259-N261 PolarHBondContact O-N 3.49Å; N259-N261 VanDerWaalsContact O-N 3.08Å; N261-R265 WeakPolarHBondContact O-CG 3.46Å; N261-R265 PolarHBondContact O-N 2.91Å; N261-R265 PolarHBondContact O-NE 3.2Å |
| 262 | A | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.1 | -42 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y234 N259 V260 K264 R265 G266 | Y234-A262 HydrophobicContact CD1-CB 3.85Å; Y234-A262 HydrophobicContact CG-CB 4.48Å; N259-A262 HydrophobicContact CB-CB 4.33Å; N259-A262 VanDerWaalsContact ND2-CB 3.34Å; N259-A262 WeakPolarHBondContact ND2-CB 3.38Å; N259-A262 PolarHBondContact O-N 2.98Å; N259-A262 WeakPolarHBondContact OD1-CB 3.48Å; N259-A262 PolarHBondContact OD1-N 3.05Å; V260-A262 PolarHBondContact O-N 3.03Å; A262-K264 PolarHBondContact O-N 2.98Å; A262-R265 PolarHBondContact O-N 2.91Å; A262-G266 PolarHBondContact O-N 3.33Å |
| 263 | V | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 177 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | L208 L210 L236 N259 V260 T267 | L208-V263 HydrophobicContact CD2-CB 4Å; L208-V263 HydrophobicContact CD2-CG1 3.82Å; L208-V263 HydrophobicContact CD2-CG2 4.23Å; L208-V263 HydrophobicContact CG-CG1 4.15Å; L210-V263 HydrophobicContact CD1-CG1 3.92Å; L210-V263 HydrophobicContact CG-CG1 4.25Å; L236-V263 HydrophobicContact CD2-CB 4.21Å; L236-V263 HydrophobicContact CD2-CG2 3.7Å; N259-V263 WeakPolarHBondContact O-CG2 3.4Å; N259-V263 PolarHBondContact O-N 3.09Å; V260-V263 PolarHBondContact O-N 2.96Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.89Å |
| 264 | K | 94.2 | Very high | 91.3 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -55.1 | 174.9 | -75.3 | -178 | 162.2 | -166.6 | 0 | 112.1 | V260 A262 T267 A268 I337 E338 | V260-K264 HydrophobicContact CG1-CD 4.31Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.38Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 3Å; A262-K264 PolarHBondContact O-N 2.98Å; K264-T267 PolarHBondContact O-N 3.31Å; K264-A268 PolarHBondContact O-N 3.24Å; K264-I337 HydrophobicContact CB-CG2 4.01Å; K264-I337 HydrophobicContact CG-CG2 3.85Å; K264-E338 WeakPolarHBondContact CD-OE1 3.48Å; K264-E338 VanDerWaalsContact CE-OE1 3.23Å; K264-E338 WeakPolarHBondContact CE-OE1 3.32Å; K264-E338 IonicContact NZ-OE1 2.85Å; K264-E338 PolarHBondContact NZ-OE1 2.88Å; K264-E338 IonicContact NZ-OE2 2.88Å; K264-E338 PolarHBondContact NZ-OE2 2.86Å |
| 265 | R | 93.6 | Very high | 90.9 | Very high | 152 Ų | 152 | 45.7 Ų | 45.7 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68 | -46.1 | -175.2 | -71.9 | -173.4 | -67.5 | 175.5 | 2 | 112.9 | Y234 N261 A262 T267 A268 L269 | Y234-R265 HydrophobicContact CE1-CB 4.13Å; N261-R265 WeakPolarHBondContact O-CG 3.46Å; N261-R265 PolarHBondContact O-N 2.91Å; N261-R265 PolarHBondContact O-NE 3.2Å; A262-R265 PolarHBondContact O-N 2.91Å; R265-T267 VanDerWaalsContact C-N 3.28Å; R265-T267 PolarHBondContact O-N 3.19Å; R265-A268 PolarHBondContact O-N 3Å; R265-L269 WeakPolarHBondContact O-CG 3.48Å; R265-L269 PolarHBondContact O-N 3.28Å |
| 266 | G | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -30.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A262 L270 | A262-G266 PolarHBondContact O-N 3.33Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 3.41Å |
| 267 | T | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 170.1 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | L210 I253 V263 K264 R265 L270 L271 I337 | L210-T267 HydrophobicContact CD1-CG2 4.16Å; I253-T267 HydrophobicContact CD1-CG2 3.56Å; I253-T267 VanDerWaalsContact CD1-OG1 3.23Å; I253-T267 WeakPolarHBondContact CD1-OG1 3.38Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.89Å; K264-T267 PolarHBondContact O-N 3.31Å; R265-T267 VanDerWaalsContact C-N 3.28Å; R265-T267 PolarHBondContact O-N 3.19Å; T267-L270 PolarHBondContact O-N 2.91Å; T267-L271 HydrophobicContact CG2-CD1 3.7Å; T267-L271 WeakPolarHBondContact O-CD1 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 2.96Å; T267-I337 HydrophobicContact CG2-CD1 3.91Å; T267-I337 HydrophobicContact CG2-CG1 4.01Å |
| 268 | A | 92.6 | Very high | 90 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K264 R265 L270 L271 E272 I337 | K264-A268 PolarHBondContact O-N 3.24Å; R265-A268 PolarHBondContact O-N 3Å; A268-L270 VanDerWaalsContact C-N 3.3Å; A268-L270 PolarHBondContact O-N 3.11Å; A268-L271 PolarHBondContact O-N 3.33Å; A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.03Å; A268-I337 HydrophobicContact CB-CD1 3.8Å |
| 269 | L | 92 | Very high | 89.6 | Confident | 63 Ų | 63 | 48 Ų | 48 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 177.6 | -68.6 | 169 | 0 | 0 | 0 | 112.7 | I230 Y234 R265 H273 | I230-L269 HydrophobicContact CD1-CB 4.19Å; Y234-L269 HydrophobicContact CE2-CD1 3.57Å; Y234-L269 WeakPolarHBondContact OH-CD1 3.39Å; R265-L269 WeakPolarHBondContact O-CG 3.48Å; R265-L269 PolarHBondContact O-N 3.28Å; L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.13Å; L269-H273 PolarHBondContact O-N 3.16Å |
| 270 | L | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 175 | -174.6 | 68 | 0 | 0 | 0 | 111.7 | F212 V227 V238 I253 G266 T267 A268 L274 | F212-L270 HydrophobicContact CE1-CD2 4.23Å; F212-L270 HydrophobicContact CZ-CD2 4.17Å; V227-L270 HydrophobicContact CB-CD1 4.33Å; V227-L270 HydrophobicContact CG1-CD1 3.92Å; V227-L270 HydrophobicContact CG2-CD1 3.86Å; V238-L270 HydrophobicContact CB-CD2 4.47Å; V238-L270 HydrophobicContact CG1-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CD2 3.76Å; I253-L270 HydrophobicContact CD1-CD2 3.76Å; I253-L270 HydrophobicContact CG1-CD2 3.91Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 3.41Å; T267-L270 PolarHBondContact O-N 2.91Å; A268-L270 VanDerWaalsContact C-N 3.3Å; A268-L270 PolarHBondContact O-N 3.11Å; L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4.25Å; L270-L274 HydrophobicContact CD2-CD1 4.4Å; L270-L274 HydrophobicContact CG-CD1 3.68Å; L270-L274 HydrophobicContact CG-CG 4.46Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CD1 3.49Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.03Å |
| 271 | L | 89.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 174.9 | -75 | 152.7 | 0 | 0 | 0 | 111.7 | F212 T267 A268 L274 A275 A279 I282 I284 I337 | F212-L271 HydrophobicContact CB-CD2 4.25Å; F212-L271 HydrophobicContact CD1-CD2 4.5Å; F212-L271 HydrophobicContact CD2-CD2 3.49Å; F212-L271 VanDerWaalsContact CD2-CD2 3.49Å; F212-L271 HydrophobicContact CE2-CD2 3.84Å; F212-L271 HydrophobicContact CG-CD2 3.85Å; F212-L271 HydrophobicContact CZ-CD2 4.49Å; T267-L271 HydrophobicContact CG2-CD1 3.7Å; T267-L271 WeakPolarHBondContact O-CD1 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 2.96Å; A268-L271 PolarHBondContact O-N 3.33Å; L271-L274 PolarHBondContact O-N 3.37Å; L271-A275 WeakPolarHBondContact O-CA 3.3Å; L271-A275 WeakPolarHBondContact O-CB 3.42Å; L271-A275 PolarHBondContact O-N 3.46Å; L271-A279 HydrophobicContact CB-CB 3.98Å; L271-I282 HydrophobicContact CD2-CB 4.13Å; L271-I282 HydrophobicContact CD2-CD1 4.07Å; L271-I282 HydrophobicContact CD2-CG2 3.8Å; L271-I284 HydrophobicContact CD1-CD1 3.5Å; L271-I284 HydrophobicContact CD2-CD1 4.31Å; L271-I337 HydrophobicContact CD1-CD1 4.01Å; L271-I337 HydrophobicContact CD1-CG1 4.44Å |
| 272 | E | 90.1 | Very high | 88.7 | Confident | 120 Ų | 120 | 49.6 Ų | 49.6 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.1 | -46.5 | 175 | -175.3 | 172.4 | -161.1 | 0 | 0 | 111.2 | A268 L274 G276 | A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.03Å; E272-L274 PolarHBondContact O-N 2.95Å; E272-G276 VanDerWaalsContact O-CA 3.22Å; E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.34Å |
| 273 | H | 88.1 | Confident | 88.5 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 40% | 0.398 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 176 | -179.8 | 51.3 | 0 | 0 | 0 | 113.4 | T226 L269 | T226-H273 WeakPolarHBondContact CB-NE2 3.22Å; L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.13Å; L269-H273 PolarHBondContact O-N 3.16Å |
| 274 | L | 85.4 | Confident | 88.6 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -88.2 | -21.4 | -174.7 | -68.2 | 170.6 | 0 | 0 | 0 | 114.8 | F212 L214 M218 V227 F240 L270 L271 E272 | F212-L274 HydrophobicContact CE2-CD1 4.17Å; F212-L274 HydrophobicContact CZ-CD1 3.93Å; L214-L274 HydrophobicContact CD1-CB 4.18Å; L214-L274 HydrophobicContact CD1-CD1 4.2Å; M218-L274 WeakPolarHBondContact CE-O 3.25Å; V227-L274 HydrophobicContact CG2-CD2 4.46Å; F240-L274 HydrophobicContact CE1-CD1 3.84Å; F240-L274 HydrophobicContact CZ-CD1 3.53Å; L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4.25Å; L270-L274 HydrophobicContact CD2-CD1 4.4Å; L270-L274 HydrophobicContact CG-CD1 3.68Å; L270-L274 HydrophobicContact CG-CG 4.46Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CD1 3.49Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.03Å; L271-L274 PolarHBondContact O-N 3.37Å; E272-L274 PolarHBondContact O-N 2.95Å |
| 275 | A | 83.8 | Confident | 88.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -135.9 | -6.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L214 L271 S277 L278 I282 | L214-A275 HydrophobicContact CD2-CB 4.14Å; L271-A275 WeakPolarHBondContact O-CA 3.3Å; L271-A275 WeakPolarHBondContact O-CB 3.42Å; L271-A275 PolarHBondContact O-N 3.46Å; A275-S277 PolarHBondContact O-N 2.89Å; A275-L278 HydrophobicContact CB-CB 4.22Å; A275-L278 WeakPolarHBondContact O-CB 3.31Å; A275-L278 PolarHBondContact O-N 3.13Å; A275-I282 HydrophobicContact CB-CD1 3.41Å; A275-I282 VanDerWaalsContact CB-CD1 3.41Å |
| 276 | G | 84.9 | Confident | 88.7 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | 54 | -124.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E272 L278 A279 | E272-G276 VanDerWaalsContact O-CA 3.22Å; E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.34Å; G276-L278 PolarHBondContact O-N 2.85Å; G276-L278 VanDerWaalsContact O-N 3.11Å; G276-A279 WeakPolarHBondContact O-CB 3.39Å; G276-A279 PolarHBondContact O-N 3.15Å |
| 277 | S | 82.3 | Confident | 88.6 | Confident | 112 Ų | 112 | 48 Ų | 48 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -60.4 | -17.8 | 178.1 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | A275 | A275-S277 PolarHBondContact O-N 2.89Š|
| 278 | L | 83.4 | Confident | 88.5 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -84.7 | -7.7 | 176.5 | -57.9 | 178.2 | 0 | 0 | 0 | 113.3 | A275 G276 S280 T281 I282 | A275-L278 HydrophobicContact CB-CB 4.22Å; A275-L278 WeakPolarHBondContact O-CB 3.31Å; A275-L278 PolarHBondContact O-N 3.13Å; G276-L278 PolarHBondContact O-N 2.85Å; G276-L278 VanDerWaalsContact O-N 3.11Å; L278-S280 PolarHBondContact O-N 2.85Å; L278-T281 PolarHBondContact O-N 2.87Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 3.36Å |
| 279 | A | 82.7 | Confident | 88.4 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L271 G276 | L271-A279 HydrophobicContact CB-CB 3.98Å; G276-A279 WeakPolarHBondContact O-CB 3.39Å; G276-A279 PolarHBondContact O-N 3.15Å |
| 280 | S | 82.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 74% | 0.741 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.7 | 177 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | L278 | L278-S280 PolarHBondContact O-N 2.85Š|
| 281 | T | 85.9 | Confident | 88 | Confident | 113 Ų | 113 | 45.2 Ų | 45.2 | 69% | 0.693 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -19.8 | -178.2 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | L278 S283 | L278-T281 PolarHBondContact O-N 2.87Å; T281-S283 PolarHBondContact O-N 2.85Å |
| 282 | I | 89.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -77.3 | 111.5 | -178.6 | -66.5 | 160.9 | 0 | 0 | 0 | 110.3 | F212 L214 L271 A275 L278 | F212-I282 HydrophobicContact CB-CG2 3.87Å; F212-I282 HydrophobicContact CD2-CG2 4.34Å; L214-I282 HydrophobicContact CD2-CD1 3.76Å; L271-I282 HydrophobicContact CD2-CB 4.13Å; L271-I282 HydrophobicContact CD2-CD1 4.07Å; L271-I282 HydrophobicContact CD2-CG2 3.8Å; A275-I282 HydrophobicContact CB-CD1 3.41Å; A275-I282 VanDerWaalsContact CB-CD1 3.41Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 3.36Å | ||
| 283 | S | 90.8 | Very high | 87.6 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | trans | -69.6 | 132.1 | 172.2 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | T281 Q334 | T281-S283 PolarHBondContact O-N 2.85Å; S283-Q334 PolarHBondContact OG-NE2 2.81Å | ||
| 284 | I | 94.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 141.7 | 172.3 | -45.5 | -53.4 | 0 | 0 | 0 | 109 | L210 S211 F212 L271 Q334 G335 I337 V340 | L210-I284 HydrophobicContact CB-CG2 3.92Å; L210-I284 HydrophobicContact CD1-CG2 4.42Å; L210-I284 HydrophobicContact CD2-CG2 4.23Å; L210-I284 HydrophobicContact CG-CG2 4.41Å; S211-I284 CarbonylContact O-C 3.5Å; S211-I284 WeakPolarHBondContact O-CA 3.15Å; F212-I284 HydrophobicContact CB-CD1 3.91Å; L271-I284 HydrophobicContact CD1-CD1 3.5Å; L271-I284 HydrophobicContact CD2-CD1 4.31Å; I284-Q334 CarbonylContact O-C 3.5Å; I284-Q334 VanDerWaalsContact O-CA 3.23Å; I284-Q334 WeakPolarHBondContact O-CA 3.34Å; I284-G335 PolarHBondContact N-O 3.41Å; I284-G335 PolarHBondContact O-N 2.83Å; I284-I337 HydrophobicContact CD1-CG1 4.25Å; I284-I337 HydrophobicContact CG1-CG1 3.7Å; I284-V340 HydrophobicContact CB-CG2 4.4Å; I284-V340 WeakPolarHBondContact O-CG2 3.18Å |
| 285 | T | 94.5 | Very high | 87.7 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.3 | 172.2 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | S211 Y332 I333 | S211-T285 PolarHBondContact N-O 3.03Å; S211-T285 PolarHBondContact O-N 2.79Å; S211-T285 PolarHBondContact OG-O 3.04Å; T285-Y332 HydrophobicContact CG2-CD1 4.37Å; T285-I333 CarbonylContact C-O 3.23Å; T285-I333 VanDerWaalsContact CA-O 3.26Å; T285-I333 WeakPolarHBondContact CA-O 3.32Å |
| 286 | T | 94.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 169.2 | 161.9 | -162.2 | 0 | 0 | 0 | 0 | 110.2 | V209 I333 V340 R344 | V209-T286 WeakPolarHBondContact O-CB 2.99Å; V209-T286 PolarHBondContact O-OG1 3.16Å; T286-I333 HydrophobicContact CG2-CB 3.97Å; T286-I333 HydrophobicContact CG2-CD1 3.92Å; T286-I333 HydrophobicContact CG2-CG1 4.44Å; T286-I333 PolarHBondContact N-O 2.8Å; T286-I333 PolarHBondContact O-N 3.03Å; T286-V340 HydrophobicContact CG2-CG1 3.42Å; T286-V340 VanDerWaalsContact CG2-CG1 3.42Å; T286-R344 HydrophobicContact CG2-CB 4.43Å |
| 287 | H | 91.6 | Very high | 87.7 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.8 | 171.7 | 57.8 | -72.3 | 0 | 0 | 0 | 110.3 | T330 V331 Y332 | H287-T330 HydrophobicContact CB-CG2 3.82Å; H287-V331 CarbonylContact C-O 3.51Å; H287-V331 VanDerWaalsContact CA-O 3.25Å; H287-V331 WeakPolarHBondContact CA-O 3.16Å; H287-Y332 HydrophobicContact CB-CD1 4.3Å; H287-Y332 HydrophobicContact CB-CE1 4.42Å |
| 288 | L | 91.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.9 | 176.5 | -177.7 | 62.4 | 0 | 0 | 0 | 108.1 | I290 V331 R344 L347 M348 | L288-I290 HydrophobicContact CB-CD1 4.48Å; L288-I290 HydrophobicContact CD2-CD1 3.84Å; L288-I290 HydrophobicContact CD2-CG1 4.21Å; L288-I290 HydrophobicContact CG-CD1 3.97Å; L288-I290 HydrophobicContact CG-CG1 3.93Å; L288-V331 PolarHBondContact N-O 2.78Å; L288-V331 PolarHBondContact O-N 2.95Å; L288-R344 HydrophobicContact CD1-CG 4.49Å; L288-R344 HydrophobicContact CD2-CG 4.28Å; L288-L347 HydrophobicContact CD2-CB 4.01Å; L288-M348 HydrophobicContact CD1-CG 4Å; L288-M348 HydrophobicContact CD1-SD 4.18Å; L288-M348 HydrophobicContact CD2-CG 3.67Å |
| 289 | D | 89.3 | Confident | 88 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.2 | -175.3 | -165.4 | 62.5 | 0 | 0 | 0 | 110.4 | S143 S329 T330 | S143-D289 PolarHBondContact OG-OD2 3.15Å; D289-S329 VanDerWaalsContact OD1-CB 3.25Å; D289-S329 WeakPolarHBondContact OD1-CB 3.49Å; D289-T330 PolarHBondContact OD1-OG1 2.87Å |
| 290 | I | 89.1 | Confident | 88.1 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -126.5 | 130.3 | -169.1 | -61.7 | 162 | 0 | 0 | 0 | 108.1 | L288 H294 H295 M298 S329 V331 L351 | L288-I290 HydrophobicContact CB-CD1 4.48Å; L288-I290 HydrophobicContact CD2-CD1 3.84Å; L288-I290 HydrophobicContact CD2-CG1 4.21Å; L288-I290 HydrophobicContact CG-CD1 3.97Å; L288-I290 HydrophobicContact CG-CG1 3.93Å; I290-H294 HydrophobicContact CG2-CB 3.98Å; I290-H295 PolarHBondContact O-NE2 3.48Å; I290-M298 HydrophobicContact CD1-CE 3.57Å; I290-M298 HydrophobicContact CD1-SD 3.93Å; I290-M298 HydrophobicContact CG1-SD 4.48Å; I290-M298 HydrophobicContact CG2-SD 3.72Å; I290-S329 PolarHBondContact N-O 3.47Å; I290-S329 CarbonylContact O-C 3.56Å; I290-S329 WeakPolarHBondContact O-CA 3.36Å; I290-S329 VanDerWaalsContact O-CB 3.24Å; I290-S329 WeakPolarHBondContact O-CB 3.36Å; I290-V331 HydrophobicContact CD1-CB 4.23Å; I290-V331 HydrophobicContact CD1-CG2 3.79Å; I290-L351 HydrophobicContact CG1-CD2 4.46Å; I290-L351 HydrophobicContact CG2-CD2 4.1Å | ||
| 291 | A | 85.8 | Confident | 88.2 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -55.1 | 132.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q293 H294 H295 | A291-Q293 HydrophobicContact CB-CG 3.85Å; A291-Q293 PolarHBondContact O-N 2.83Å; A291-H294 PolarHBondContact O-N 3.07Å; A291-H295 PolarHBondContact O-CD2 2.99Å | ||
| 292 | P | 84.9 | Confident | 88.1 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.8 | -32.3 | -169.7 | -26 | 34.7 | 0 | 0 | 0 | 113.7 | H294 H295 K328 | P292-H294 PolarHBondContact O-N 3.21Å; P292-H294 VanDerWaalsContact O-N 3.1Å; P292-H295 WeakPolarHBondContact O-CB 3.5Å; P292-H295 PolarHBondContact O-N 2.82Å; P292-K328 HydrophobicContact CG-CB 4.13Å |
| 293 | Q | 85.1 | Confident | 87.9 | Confident | 122 Ų | 122 | 44.1 Ų | 44.1 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -52.2 | -25.2 | 172.1 | 70.7 | -159.1 | 16 | 0 | 0 | 114.7 | A291 | A291-Q293 HydrophobicContact CB-CG 3.85Å; A291-Q293 PolarHBondContact O-N 2.83Å |
| 294 | H | 87.8 | Confident | 87.8 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -97.2 | -7 | 179 | -57.9 | -41.7 | 0 | 0 | 0 | 113.2 | I290 A291 P292 L296 F297 M298 | I290-H294 HydrophobicContact CG2-CB 3.98Å; A291-H294 PolarHBondContact O-N 3.07Å; P292-H294 PolarHBondContact O-N 3.21Å; P292-H294 VanDerWaalsContact O-N 3.1Å; H294-L296 PolarHBondContact O-N 3.3Å; H294-F297 WeakPolarHBondContact O-CB 3.33Å; H294-F297 PolarHBondContact O-N 3.37Å; H294-M298 WeakPolarHBondContact O-CB 3.35Å; H294-M298 VanDerWaalsContact O-CG 3.31Å; H294-M298 WeakPolarHBondContact O-CG 3.24Å; H294-M298 PolarHBondContact O-N 3.12Å |
| 295 | H | 88.1 | Confident | 87.5 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | -178.2 | -71.4 | -158.2 | 0 | 0 | 0 | 112.2 | I290 A291 P292 K299 F319 K328 S329 | I290-H295 PolarHBondContact O-NE2 3.48Å; A291-H295 PolarHBondContact O-CD2 2.99Å; P292-H295 WeakPolarHBondContact O-CB 3.5Å; P292-H295 PolarHBondContact O-N 2.82Å; H295-K299 WeakPolarHBondContact O-CB 3.42Å; H295-K299 WeakPolarHBondContact O-CG 3.47Å; H295-K299 PolarHBondContact O-N 3.01Å; H295-F319 HydrophobicContact CB-CD1 3.98Å; H295-F319 HydrophobicContact CB-CE1 4.18Å; H295-F319 AromaticContact CG-CD1 3.76Å; H295-F319 AromaticContact ND1-CD1 3.64Å; H295-K328 PolarHBondContact CE1-O 3.29Å; H295-S329 PolarHBondContact NE2-O 2.85Å |
| 296 | L | 85.1 | Confident | 87.4 | Confident | 129 Ų | 129 | 44.2 Ų | 44.2 | 68% | 0.675 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.8 | -44 | 178.8 | -173.9 | 63.9 | 0 | 0 | 0 | 111.5 | H294 K299 G300 | H294-L296 PolarHBondContact O-N 3.3Å; L296-K299 PolarHBondContact O-N 2.97Å; L296-G300 PolarHBondContact O-N 3.36Å |
| 297 | F | 83.8 | Confident | 87.2 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 174.1 | 179.1 | -102 | 0 | 0 | 0 | 111.8 | H294 G300 C350 P352 V399 I449 L450 A453 | H294-F297 WeakPolarHBondContact O-CB 3.33Å; H294-F297 PolarHBondContact O-N 3.37Å; F297-G300 PolarHBondContact O-N 3.05Å; F297-C350 WeakPolarHBondContact CE1-O 3.21Å; F297-P352 HydrophobicContact CE1-CB 4.49Å; F297-V399 HydrophobicContact CE1-CG1 3.85Å; F297-V399 HydrophobicContact CZ-CG1 3.78Å; F297-I449 HydrophobicContact CD1-CG2 4.09Å; F297-I449 HydrophobicContact CD2-CG2 3.6Å; F297-I449 VanDerWaalsContact CD2-O 3.23Å; F297-I449 WeakPolarHBondContact CD2-O 3.45Å; F297-I449 HydrophobicContact CE1-CG2 3.71Å; F297-I449 HydrophobicContact CE2-CB 4.44Å; F297-I449 HydrophobicContact CE2-CG2 3.19Å; F297-I449 WeakPolarHBondContact CE2-O 3.36Å; F297-I449 HydrophobicContact CG-CG2 4.05Å; F297-I449 HydrophobicContact CZ-CG2 3.25Å; F297-L450 HydrophobicContact CE2-CD2 4.41Å; F297-A453 HydrophobicContact CD2-CB 3.67Å; F297-A453 HydrophobicContact CE2-CB 3.78Å |
| 298 | M | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.4 | -31.3 | -179.9 | -69.3 | 177.8 | 61.3 | 0 | 0 | 113.9 | I290 H294 G300 N305 F319 L347 C350 L351 | I290-M298 HydrophobicContact CD1-CE 3.57Å; I290-M298 HydrophobicContact CD1-SD 3.93Å; I290-M298 HydrophobicContact CG1-SD 4.48Å; I290-M298 HydrophobicContact CG2-SD 3.72Å; H294-M298 WeakPolarHBondContact O-CB 3.35Å; H294-M298 VanDerWaalsContact O-CG 3.31Å; H294-M298 WeakPolarHBondContact O-CG 3.24Å; H294-M298 PolarHBondContact O-N 3.12Å; M298-G300 VanDerWaalsContact C-N 3.32Å; M298-N305 PolarHBondContact O-ND2 3.27Å; M298-F319 HydrophobicContact CB-CZ 4.48Å; M298-L347 HydrophobicContact CE-CB 3.81Å; M298-L347 HydrophobicContact CE-CD2 3.72Å; M298-L347 HydrophobicContact CE-CG 4.39Å; M298-L347 WeakPolarHBondContact CE-O 3.32Å; M298-C350 HydrophobicContact CE-CB 4.39Å; M298-C350 HydrophobicContact CG-CB 4.13Å; M298-L351 HydrophobicContact SD-CD2 3.82Å |
| 299 | K | 85.8 | Confident | 87.4 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 30% | 0.296 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 171.3 | -75.9 | 171.7 | -176.5 | -176.4 | 0 | 111.6 | H295 L296 G303 N305 I306 F319 | H295-K299 WeakPolarHBondContact O-CB 3.42Å; H295-K299 WeakPolarHBondContact O-CG 3.47Å; H295-K299 PolarHBondContact O-N 3.01Å; L296-K299 PolarHBondContact O-N 2.97Å; K299-G303 CarbonylContact O-C 3.44Å; K299-G303 VanDerWaalsContact O-C 3.23Å; K299-G303 VanDerWaalsContact O-CA 3.29Å; K299-G303 WeakPolarHBondContact O-CA 3.45Å; K299-N305 PolarHBondContact O-N 2.65Å; K299-I306 HydrophobicContact CB-CG2 4.41Å; K299-I306 HydrophobicContact CG-CG2 4.43Å; K299-I306 PolarHBondContact O-N 3.02Å; K299-F319 HydrophobicContact CD-CG 4.42Å; K299-F319 HydrophobicContact CG-CD1 4.46Å; K299-F319 HydrophobicContact CG-CD2 4.2Å; K299-F319 HydrophobicContact CG-CE1 4.29Å; K299-F319 HydrophobicContact CG-CE2 4.04Å; K299-F319 HydrophobicContact CG-CG 4.42Å; K299-F319 HydrophobicContact CG-CZ 4.08Å |
| 300 | G | 84 | Confident | 87.6 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | trans | 73.5 | 171 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L296 F297 M298 N302 G303 | L296-G300 PolarHBondContact O-N 3.36Å; F297-G300 PolarHBondContact O-N 3.05Å; M298-G300 VanDerWaalsContact C-N 3.32Å; G300-N302 PolarHBondContact O-N 3.16Å; G300-G303 PolarHBondContact O-N 2.74Å; G300-G303 VanDerWaalsContact O-N 3.07Å | ||
| 301 | R | 84.9 | Confident | 87.9 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -55.8 | 127.3 | 179.5 | -60.6 | -177.3 | -164.3 | 145.4 | 14.3 | 110.3 | G303 S304 D448 S452 | R301-G303 PolarHBondContact O-N 2.98Å; R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.26Å; R301-S304 PolarHBondContact O-N 2.99Å; R301-S304 PolarHBondContact O-OG 2.95Å; R301-S304 VanDerWaalsContact O-OG 3.07Å; R301-D448 IonicContact CZ-OD1 3.18Å; R301-D448 IonicContact CZ-OD2 3.22Å; R301-D448 IonicContact NH1-OD1 3.96Å; R301-D448 PolarHBondContact NH1-OD1 2.8Å; R301-D448 IonicContact NH1-OD2 2.65Å; R301-D448 PolarHBondContact NH1-OD2 3.26Å; R301-D448 PolarHBondContact NH2-O 3.27Å; R301-D448 IonicContact NH2-OD1 2.66Å; R301-D448 PolarHBondContact NH2-OD1 2.73Å; R301-D448 IonicContact NH2-OD2 3.19Å; R301-S452 VanDerWaalsContact CG-OG 3.25Å; R301-S452 WeakPolarHBondContact CG-OG 3.24Å; R301-S452 PolarHBondContact NE-OG 3.41Å |
| 302 | N | 82.9 | Confident | 88.3 | Confident | 157 Ų | 157 | 62.5 Ų | 62.5 | 84% | 0.84 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | 52.4 | 25.5 | -179.1 | -55.5 | -17.3 | 0 | 0 | 0 | 114.5 | G300 K307 | G300-N302 PolarHBondContact O-N 3.16Å; N302-K307 PolarHBondContact O-NZ 3.29Å |
| 303 | G | 84.6 | Confident | 88.8 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | 72.3 | 20.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K299 G300 R301 I306 K307 | K299-G303 CarbonylContact O-C 3.44Å; K299-G303 VanDerWaalsContact O-C 3.23Å; K299-G303 VanDerWaalsContact O-CA 3.29Å; K299-G303 WeakPolarHBondContact O-CA 3.45Å; G300-G303 PolarHBondContact O-N 2.74Å; G300-G303 VanDerWaalsContact O-N 3.07Å; R301-G303 PolarHBondContact O-N 2.98Å; G303-I306 WeakPolarHBondContact O-CG2 3.4Å; G303-I306 PolarHBondContact O-N 3.49Å; G303-K307 WeakPolarHBondContact O-CB 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.21Å; G303-K307 VanDerWaalsContact O-CG 3.22Å; G303-K307 WeakPolarHBondContact O-CG 3.29Å; G303-K307 PolarHBondContact O-N 2.81Å |
| 304 | S | 89.6 | Confident | 89.2 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | R301 I306 K307 H308 | R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.26Å; R301-S304 PolarHBondContact O-N 2.99Å; R301-S304 PolarHBondContact O-OG 2.95Å; R301-S304 VanDerWaalsContact O-OG 3.07Å; S304-I306 PolarHBondContact O-N 3.48Å; S304-K307 PolarHBondContact O-N 3.46Å; S304-H308 PolarHBondContact O-N 3.31Å |
| 305 | N | 88.6 | Confident | 89.6 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | -178.9 | -174.8 | 62.4 | 0 | 0 | 0 | 111.2 | M298 K299 H308 I309 I449 | M298-N305 PolarHBondContact O-ND2 3.27Å; K299-N305 PolarHBondContact O-N 2.65Å; N305-H308 PolarHBondContact O-N 3.37Å; N305-I309 WeakPolarHBondContact O-CG1 3.42Å; N305-I309 PolarHBondContact O-N 2.78Å; N305-I449 HydrophobicContact CB-CD1 4.48Å |
| 306 | I | 91.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | 177.9 | -168.2 | 62.8 | 0 | 0 | 0 | 112.9 | K299 G303 S304 H308 I309 T310 I317 F319 L347 | K299-I306 HydrophobicContact CB-CG2 4.41Å; K299-I306 HydrophobicContact CG-CG2 4.43Å; K299-I306 PolarHBondContact O-N 3.02Å; G303-I306 WeakPolarHBondContact O-CG2 3.4Å; G303-I306 PolarHBondContact O-N 3.49Å; S304-I306 PolarHBondContact O-N 3.48Å; I306-H308 VanDerWaalsContact C-N 3.33Å; I306-H308 PolarHBondContact O-N 2.98Å; I306-I309 PolarHBondContact O-N 3.23Å; I306-T310 PolarHBondContact O-N 3.44Å; I306-I317 HydrophobicContact CD1-CB 3.87Å; I306-I317 HydrophobicContact CD1-CD1 3.48Å; I306-I317 VanDerWaalsContact CD1-CD1 3.48Å; I306-I317 HydrophobicContact CD1-CG1 4.27Å; I306-I317 HydrophobicContact CD1-CG2 3.8Å; I306-I317 HydrophobicContact CG1-CB 4.37Å; I306-F319 HydrophobicContact CD1-CE2 3.75Å; I306-F319 HydrophobicContact CD1-CZ 4.38Å; I306-F319 HydrophobicContact CG1-CE2 3.9Å; I306-L347 HydrophobicContact CD1-CD2 3.94Å |
| 307 | K | 90.9 | Very high | 90.4 | Very high | 137 Ų | 137 | 57 Ų | 57 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.2 | -45.1 | 172.2 | -75.4 | 163.8 | 180 | 164 | 0 | 111.2 | N302 G303 S304 T310 Q311 | N302-K307 PolarHBondContact O-NZ 3.29Å; G303-K307 WeakPolarHBondContact O-CB 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.21Å; G303-K307 VanDerWaalsContact O-CG 3.22Å; G303-K307 WeakPolarHBondContact O-CG 3.29Å; G303-K307 PolarHBondContact O-N 2.81Å; S304-K307 PolarHBondContact O-N 3.46Å; K307-T310 PolarHBondContact O-N 3.38Å; K307-Q311 VanDerWaalsContact O-CB 3.28Å; K307-Q311 WeakPolarHBondContact O-CB 3.29Å; K307-Q311 PolarHBondContact O-N 2.66Å |
| 308 | H | 92.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176 | 172.9 | -110.2 | 0 | 0 | 0 | 112.6 | S304 N305 I306 Q311 R312 | S304-H308 PolarHBondContact O-N 3.31Å; N305-H308 PolarHBondContact O-N 3.37Å; I306-H308 VanDerWaalsContact C-N 3.33Å; I306-H308 PolarHBondContact O-N 2.98Å; H308-Q311 PolarHBondContact O-N 2.78Å; H308-R312 WeakPolarHBondContact O-CB 3.02Å; H308-R312 PolarHBondContact O-N 3.08Å |
| 309 | I | 93.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 175.5 | -65.1 | 166.4 | 0 | 0 | 0 | 110.7 | N305 I306 Q311 R312 T313 I317 L347 | N305-I309 WeakPolarHBondContact O-CG1 3.42Å; N305-I309 PolarHBondContact O-N 2.78Å; I306-I309 PolarHBondContact O-N 3.23Å; I309-Q311 PolarHBondContact O-N 2.92Å; I309-R312 PolarHBondContact O-N 3.07Å; I309-T313 HydrophobicContact CG2-CG2 4.37Å; I309-T313 WeakPolarHBondContact O-CB 3.41Å; I309-T313 WeakPolarHBondContact O-CG2 3.44Å; I309-T313 PolarHBondContact O-N 2.95Å; I309-T313 PolarHBondContact O-OG1 2.79Å; I309-I317 HydrophobicContact CB-CD1 4.38Å; I309-I317 HydrophobicContact CG2-CD1 3.67Å; I309-L347 HydrophobicContact CD1-CD2 4.12Å |
| 310 | T | 93.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.9 | -78.5 | 0 | 0 | 0 | 0 | 111.6 | I306 K307 R312 T313 G314 A315 | I306-T310 PolarHBondContact O-N 3.44Å; K307-T310 PolarHBondContact O-N 3.38Å; T310-R312 PolarHBondContact O-N 3.31Å; T310-T313 PolarHBondContact O-N 3.17Å; T310-G314 WeakPolarHBondContact O-CA 3.45Å; T310-G314 PolarHBondContact O-N 3.37Å; T310-A315 WeakPolarHBondContact CB-O 3.45Å; T310-A315 WeakPolarHBondContact CG2-O 3.26Å; T310-A315 PolarHBondContact OG1-O 3.43Å |
| 311 | Q | 94.7 | Very high | 90.1 | Very high | 164 Ų | 164 | 65.2 Ų | 65.2 | 77% | 0.766 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 176.7 | -175.2 | -178.2 | 7.6 | 0 | 0 | 112.6 | K307 H308 I309 T313 | K307-Q311 VanDerWaalsContact O-CB 3.28Å; K307-Q311 WeakPolarHBondContact O-CB 3.29Å; K307-Q311 PolarHBondContact O-N 2.66Å; H308-Q311 PolarHBondContact O-N 2.78Å; I309-Q311 PolarHBondContact O-N 2.92Å; Q311-T313 VanDerWaalsContact C-N 3.35Å |
| 312 | R | 94.8 | Very high | 89.2 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 39% | 0.389 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -77.7 | -17.1 | -177 | -169.5 | 173.6 | -178.1 | 115.3 | -1.1 | 113.8 | H308 I309 T310 Y346 | H308-R312 WeakPolarHBondContact O-CB 3.02Å; H308-R312 PolarHBondContact O-N 3.08Å; I309-R312 PolarHBondContact O-N 3.07Å; T310-R312 PolarHBondContact O-N 3.31Å; R312-Y346 PolarHBondContact NE-OH 3.28Å |
| 313 | T | 95.8 | Very high | 88.2 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -116.1 | -21.7 | -176.4 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | I309 T310 Q311 A315 S339 L342 A343 Y346 | I309-T313 HydrophobicContact CG2-CG2 4.37Å; I309-T313 WeakPolarHBondContact O-CB 3.41Å; I309-T313 WeakPolarHBondContact O-CG2 3.44Å; I309-T313 PolarHBondContact O-N 2.95Å; I309-T313 PolarHBondContact O-OG1 2.79Å; T310-T313 PolarHBondContact O-N 3.17Å; Q311-T313 VanDerWaalsContact C-N 3.35Å; T313-A315 PolarHBondContact O-N 3.27Å; T313-A315 PolarHBondContact OG1-N 2.96Å; T313-S339 WeakPolarHBondContact O-CA 3.42Å; T313-S339 WeakPolarHBondContact O-CB 3.38Å; T313-L342 HydrophobicContact CG2-CB 4.33Å; T313-L342 HydrophobicContact CG2-CD2 3.99Å; T313-L342 HydrophobicContact CG2-CG 3.89Å; T313-A343 HydrophobicContact CG2-CB 4.22Å; T313-Y346 HydrophobicContact CG2-CD2 3.73Å; T313-Y346 HydrophobicContact CG2-CE2 4.06Å |
| 314 | G | 94.2 | Very high | 87.2 | Confident | 59 Ų | 59 | 65 Ų | 65 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | trans | 75.5 | 2.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T310 | T310-G314 WeakPolarHBondContact O-CA 3.45Å; T310-G314 PolarHBondContact O-N 3.37Å | ||
| 315 | A | 95.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -89 | 135 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | T310 T313 I333 A343 | T310-A315 WeakPolarHBondContact CB-O 3.45Å; T310-A315 WeakPolarHBondContact CG2-O 3.26Å; T310-A315 PolarHBondContact OG1-O 3.43Å; T313-A315 PolarHBondContact O-N 3.27Å; T313-A315 PolarHBondContact OG1-N 2.96Å; A315-I333 HydrophobicContact CB-CG2 3.96Å; A315-A343 HydrophobicContact CB-CB 3.64Å | ||
| 316 | Q | 94.6 | Very high | 84 | Confident | 136 Ų | 136 | 75.4 Ų | 75.4 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.9 | 167.1 | -63.6 | -68.8 | 7.5 | 0 | 0 | 109.3 | I333 Q334 | Q316-I333 CarbonylContact O-C 3.55Å; Q316-I333 WeakPolarHBondContact O-CA 3.23Å; Q316-Q334 PolarHBondContact N-O 3.43Å; Q316-Q334 PolarHBondContact O-N 2.8Å |
| 317 | I | 94.3 | Very high | 82.5 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115.6 | -176.8 | -55.1 | 162.1 | 0 | 0 | 0 | 109.9 | I306 I309 F319 V331 Y332 I333 A343 L347 | I306-I317 HydrophobicContact CD1-CB 3.87Å; I306-I317 HydrophobicContact CD1-CD1 3.48Å; I306-I317 VanDerWaalsContact CD1-CD1 3.48Å; I306-I317 HydrophobicContact CD1-CG1 4.27Å; I306-I317 HydrophobicContact CD1-CG2 3.8Å; I306-I317 HydrophobicContact CG1-CB 4.37Å; I309-I317 HydrophobicContact CB-CD1 4.38Å; I309-I317 HydrophobicContact CG2-CD1 3.67Å; I317-F319 HydrophobicContact CG2-CD2 4.26Å; I317-F319 HydrophobicContact CG2-CE2 3.88Å; I317-V331 HydrophobicContact CG2-CG1 3.78Å; I317-Y332 WeakPolarHBondContact CA-O 3.39Å; I317-I333 HydrophobicContact CG1-CG1 4.36Å; I317-I333 HydrophobicContact CG1-CG2 4.21Å; I317-I333 HydrophobicContact CG2-CG1 4.19Å; I317-A343 HydrophobicContact CD1-CB 4.18Å; I317-L347 HydrophobicContact CD1-CD1 4.14Å; I317-L347 HydrophobicContact CG2-CD1 4.06Å |
| 318 | H | 90.6 | Very high | 81.4 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.1 | -176.1 | -169.8 | -79.8 | 0 | 0 | 0 | 110.9 | Y332 | H318-Y332 PolarHBondContact N-O 2.66Å; H318-Y332 PolarHBondContact O-N 3.05Å |
| 319 | F | 88.9 | Confident | 80.9 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 7% | 0.07 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 144.2 | 171.1 | -73.9 | -104.8 | 0 | 0 | 0 | 110 | H295 M298 K299 I306 I317 V331 L347 | H295-F319 HydrophobicContact CB-CD1 3.98Å; H295-F319 HydrophobicContact CB-CE1 4.18Å; H295-F319 AromaticContact CG-CD1 3.76Å; H295-F319 AromaticContact ND1-CD1 3.64Å; M298-F319 HydrophobicContact CB-CZ 4.48Å; K299-F319 HydrophobicContact CD-CG 4.42Å; K299-F319 HydrophobicContact CG-CD1 4.46Å; K299-F319 HydrophobicContact CG-CD2 4.2Å; K299-F319 HydrophobicContact CG-CE1 4.29Å; K299-F319 HydrophobicContact CG-CE2 4.04Å; K299-F319 HydrophobicContact CG-CG 4.42Å; K299-F319 HydrophobicContact CG-CZ 4.08Å; I306-F319 HydrophobicContact CD1-CE2 3.75Å; I306-F319 HydrophobicContact CD1-CZ 4.38Å; I306-F319 HydrophobicContact CG1-CE2 3.9Å; I317-F319 HydrophobicContact CG2-CD2 4.26Å; I317-F319 HydrophobicContact CG2-CE2 3.88Å; F319-V331 HydrophobicContact CD1-CB 4.47Å; F319-V331 HydrophobicContact CD1-CG1 4.17Å; F319-V331 HydrophobicContact CD1-CG2 3.43Å; F319-V331 VanDerWaalsContact CD1-CG2 3.43Å; F319-V331 HydrophobicContact CD2-CG1 4.11Å; F319-V331 HydrophobicContact CE1-CG1 4.22Å; F319-V331 HydrophobicContact CE1-CG2 3.61Å; F319-V331 HydrophobicContact CE2-CG1 4.14Å; F319-V331 HydrophobicContact CG-CG1 4.12Å; F319-V331 HydrophobicContact CG-CG2 4.09Å; F319-V331 HydrophobicContact CZ-CG1 4.2Å; F319-V331 HydrophobicContact CZ-CG2 4.37Å; F319-L347 HydrophobicContact CZ-CD2 4.36Å |
| 320 | P | 83.6 | Confident | 80.6 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 12% | 0.123 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 147.2 | 177.8 | 30.6 | -34.5 | 0 | 0 | 0 | 111 | K328 T330 | P320-K328 WeakPolarHBondContact CG-O 3.15Å; P320-T330 WeakPolarHBondContact CD-O 3.4Å; P320-T330 WeakPolarHBondContact CG-O 3.28Å |
| 321 | D | 73.3 | Confident | 80.5 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 134 | 175.1 | -76.6 | -51.6 | 0 | 0 | 0 | 111.4 | N323 G324 | D321-N323 PolarHBondContact O-N 3.13Å; D321-N323 VanDerWaalsContact O-N 3.15Å; D321-G324 PolarHBondContact O-N 3.39Å |
| 322 | P | 64.3 | Low | 80.4 | Confident | 91 Ų | 91 | 72.8 Ų | 72.8 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.7 | -179 | 26.5 | -34.8 | 0 | 0 | 0 | 112.9 | K328 | P322-K328 PolarHBondContact O-NZ 3.35Š|
| 323 | N | 62.8 | Low | 80.5 | Confident | 156 Ų | 156 | 67.9 Ų | 67.9 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.5 | 177.8 | -66.2 | -4.3 | 0 | 0 | 0 | 113.3 | D321 | D321-N323 PolarHBondContact O-N 3.13Å; D321-N323 VanDerWaalsContact O-N 3.15Å |
| 324 | G | 63.5 | Low | 80.4 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | trans | -72.6 | 153.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D321 Q326 | D321-G324 PolarHBondContact O-N 3.39Å; G324-Q326 VanDerWaalsContact C-N 3.3Å | ||
| 325 | P | 54.9 | Low | 80.5 | Confident | 143 Ų | 143 | 69.5 Ų | 69.5 | 93% | 0.929 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -81.3 | -6.4 | 173.8 | 33.8 | -36.2 | 0 | 0 | 0 | 113.6 | ||
| 326 | Q | 56 | Low | 80.4 | Confident | 142 Ų | 142 | 73.6 Ų | 73.6 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -86.7 | 174.5 | 178 | -84.3 | -74.7 | -7.1 | 0 | 0 | 112.3 | G324 K328 | G324-Q326 VanDerWaalsContact C-N 3.3Å; Q326-K328 PolarHBondContact O-N 3.07Å |
| 327 | K | 59.4 | Low | 80.4 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | trans | -53.5 | 102.2 | -175.6 | -62.2 | -176.8 | -178.3 | -176.6 | 0 | 113.1 | S329 T330 | K327-S329 PolarHBondContact O-N 2.99Å; K327-T330 WeakPolarHBondContact CB-OG1 3.36Å; K327-T330 VanDerWaalsContact CD-OG1 3.31Å; K327-T330 WeakPolarHBondContact CD-OG1 3.38Å; K327-T330 PolarHBondContact O-N 3.37Å | ||
| 328 | K | 68.9 | Low | 80.4 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.9 | -177.4 | -55.4 | -162.4 | 177.5 | -153 | 0 | 115 | P292 H295 P320 P322 Q326 | P292-K328 HydrophobicContact CG-CB 4.13Å; H295-K328 PolarHBondContact CE1-O 3.29Å; P320-K328 WeakPolarHBondContact CG-O 3.15Å; P322-K328 PolarHBondContact O-NZ 3.35Å; Q326-K328 PolarHBondContact O-N 3.07Å |
| 329 | S | 80.8 | Confident | 80.6 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -24.2 | -177.6 | -51.7 | 0 | 0 | 0 | 0 | 114.4 | D289 I290 H295 K327 V331 | D289-S329 VanDerWaalsContact OD1-CB 3.25Å; D289-S329 WeakPolarHBondContact OD1-CB 3.49Å; I290-S329 PolarHBondContact N-O 3.47Å; I290-S329 CarbonylContact O-C 3.56Å; I290-S329 WeakPolarHBondContact O-CA 3.36Å; I290-S329 VanDerWaalsContact O-CB 3.24Å; I290-S329 WeakPolarHBondContact O-CB 3.36Å; H295-S329 PolarHBondContact NE2-O 2.85Å; K327-S329 PolarHBondContact O-N 2.99Å; S329-V331 PolarHBondContact O-N 3.46Å |
| 330 | T | 88.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.7 | -164.1 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | H287 D289 P320 K327 Y332 | H287-T330 HydrophobicContact CB-CG2 3.82Å; D289-T330 PolarHBondContact OD1-OG1 2.87Å; P320-T330 WeakPolarHBondContact CD-O 3.4Å; P320-T330 WeakPolarHBondContact CG-O 3.28Å; K327-T330 WeakPolarHBondContact CB-OG1 3.36Å; K327-T330 VanDerWaalsContact CD-OG1 3.31Å; K327-T330 WeakPolarHBondContact CD-OG1 3.38Å; K327-T330 PolarHBondContact O-N 3.37Å; T330-Y332 HydrophobicContact CG2-CE2 4.22Å; T330-Y332 WeakPolarHBondContact O-CE2 3.42Å |
| 331 | V | 91.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.2 | 176 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | H287 L288 I290 I317 F319 S329 | H287-V331 CarbonylContact C-O 3.51Å; H287-V331 VanDerWaalsContact CA-O 3.25Å; H287-V331 WeakPolarHBondContact CA-O 3.16Å; L288-V331 PolarHBondContact N-O 2.78Å; L288-V331 PolarHBondContact O-N 2.95Å; I290-V331 HydrophobicContact CD1-CB 4.23Å; I290-V331 HydrophobicContact CD1-CG2 3.79Å; I317-V331 HydrophobicContact CG2-CG1 3.78Å; F319-V331 HydrophobicContact CD1-CB 4.47Å; F319-V331 HydrophobicContact CD1-CG1 4.17Å; F319-V331 HydrophobicContact CD1-CG2 3.43Å; F319-V331 VanDerWaalsContact CD1-CG2 3.43Å; F319-V331 HydrophobicContact CD2-CG1 4.11Å; F319-V331 HydrophobicContact CE1-CG1 4.22Å; F319-V331 HydrophobicContact CE1-CG2 3.61Å; F319-V331 HydrophobicContact CE2-CG1 4.14Å; F319-V331 HydrophobicContact CG-CG1 4.12Å; F319-V331 HydrophobicContact CG-CG2 4.09Å; F319-V331 HydrophobicContact CZ-CG1 4.2Å; F319-V331 HydrophobicContact CZ-CG2 4.37Å; S329-V331 PolarHBondContact O-N 3.46Å |
| 332 | Y | 92.4 | Very high | 82.5 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.6 | 179.5 | -64.3 | -94.3 | 0 | 0 | 0 | 110.5 | T285 H287 I317 H318 T330 | T285-Y332 HydrophobicContact CG2-CD1 4.37Å; H287-Y332 HydrophobicContact CB-CD1 4.3Å; H287-Y332 HydrophobicContact CB-CE1 4.42Å; I317-Y332 WeakPolarHBondContact CA-O 3.39Å; H318-Y332 PolarHBondContact N-O 2.66Å; H318-Y332 PolarHBondContact O-N 3.05Å; T330-Y332 HydrophobicContact CG2-CE2 4.22Å; T330-Y332 WeakPolarHBondContact O-CE2 3.42Å |
| 333 | I | 95.6 | Very high | 84 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 123.3 | -177.2 | -54.9 | 162.1 | 0 | 0 | 0 | 107.3 | T285 T286 A315 Q316 I317 V340 A343 R344 L347 | T285-I333 CarbonylContact C-O 3.23Å; T285-I333 VanDerWaalsContact CA-O 3.26Å; T285-I333 WeakPolarHBondContact CA-O 3.32Å; T286-I333 HydrophobicContact CG2-CB 3.97Å; T286-I333 HydrophobicContact CG2-CD1 3.92Å; T286-I333 HydrophobicContact CG2-CG1 4.44Å; T286-I333 PolarHBondContact N-O 2.8Å; T286-I333 PolarHBondContact O-N 3.03Å; A315-I333 HydrophobicContact CB-CG2 3.96Å; Q316-I333 CarbonylContact O-C 3.55Å; Q316-I333 WeakPolarHBondContact O-CA 3.23Å; I317-I333 HydrophobicContact CG1-CG1 4.36Å; I317-I333 HydrophobicContact CG1-CG2 4.21Å; I317-I333 HydrophobicContact CG2-CG1 4.19Å; I333-V340 HydrophobicContact CG2-CG1 4.28Å; I333-V340 HydrophobicContact CG2-CG2 4.44Å; I333-A343 HydrophobicContact CG2-CB 3.76Å; I333-R344 HydrophobicContact CD1-CB 4.02Å; I333-R344 HydrophobicContact CD1-CG 4.5Å; I333-L347 HydrophobicContact CD1-CD1 3.44Å; I333-L347 VanDerWaalsContact CD1-CD1 3.44Å; I333-L347 HydrophobicContact CG1-CD1 3.84Å |
| 334 | Q | 95.2 | Very high | 85.5 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.7 | -173.8 | -175.3 | 178.6 | -1.8 | 0 | 0 | 111.9 | S283 I284 Q316 | S283-Q334 PolarHBondContact OG-NE2 2.81Å; I284-Q334 CarbonylContact O-C 3.5Å; I284-Q334 VanDerWaalsContact O-CA 3.23Å; I284-Q334 WeakPolarHBondContact O-CA 3.34Å; Q316-Q334 PolarHBondContact N-O 3.43Å; Q316-Q334 PolarHBondContact O-N 2.8Å |
| 335 | G | 94.8 | Very high | 86.9 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | -154 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I284 V340 | I284-G335 PolarHBondContact N-O 3.41Å; I284-G335 PolarHBondContact O-N 2.83Å; G335-V340 VanDerWaalsContact N-CG2 3.26Å |
| 336 | T | 94.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 54 Ų | 54 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | trans | -72.9 | 159.2 | 169 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | E338 S339 V340 | T336-E338 PolarHBondContact O-N 2.71Å; T336-S339 PolarHBondContact N-OG 3.04Å; T336-S339 PolarHBondContact O-N 3.11Å; T336-S339 VanDerWaalsContact O-N 3.15Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 WeakPolarHBondContact OG1-CB 3.29Å; T336-S339 PolarHBondContact OG1-N 2.88Å; T336-S339 PolarHBondContact OG1-OG 3.38Å; T336-S339 VanDerWaalsContact OG1-OG 3.06Å; T336-V340 WeakPolarHBondContact O-CB 3.5Å; T336-V340 VanDerWaalsContact O-CG2 3.23Å; T336-V340 WeakPolarHBondContact O-CG2 3.42Å; T336-V340 PolarHBondContact O-N 3.44Å | ||
| 337 | I | 94.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.159 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -47.1 | -47.6 | 174.8 | -58.6 | 167.3 | 0 | 0 | 0 | 111.6 | K264 T267 A268 L271 I284 C341 | K264-I337 HydrophobicContact CB-CG2 4.01Å; K264-I337 HydrophobicContact CG-CG2 3.85Å; T267-I337 HydrophobicContact CG2-CD1 3.91Å; T267-I337 HydrophobicContact CG2-CG1 4.01Å; A268-I337 HydrophobicContact CB-CD1 3.8Å; L271-I337 HydrophobicContact CD1-CD1 4.01Å; L271-I337 HydrophobicContact CD1-CG1 4.44Å; I284-I337 HydrophobicContact CD1-CG1 4.25Å; I284-I337 HydrophobicContact CG1-CG1 3.7Å; I337-C341 PolarHBondContact O-N 3.35Å |
| 338 | E | 94.3 | Very high | 92.2 | Very high | 106 Ų | 106 | 41.8 Ų | 41.8 | 50% | 0.495 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -58.1 | 176.8 | -76.1 | -57.3 | 123.5 | 0 | 0 | 112.4 | K264 T336 V340 C341 L342 | K264-E338 WeakPolarHBondContact CD-OE1 3.48Å; K264-E338 VanDerWaalsContact CE-OE1 3.23Å; K264-E338 WeakPolarHBondContact CE-OE1 3.32Å; K264-E338 IonicContact NZ-OE1 2.85Å; K264-E338 PolarHBondContact NZ-OE1 2.88Å; K264-E338 IonicContact NZ-OE2 2.88Å; K264-E338 PolarHBondContact NZ-OE2 2.86Å; T336-E338 PolarHBondContact O-N 2.71Å; E338-V340 VanDerWaalsContact C-N 3.28Å; E338-V340 PolarHBondContact O-N 2.8Å; E338-C341 PolarHBondContact O-N 2.9Å; E338-L342 VanDerWaalsContact O-CB 3.31Å; E338-L342 WeakPolarHBondContact O-CB 3.4Å; E338-L342 PolarHBondContact O-N 2.98Å |
| 339 | S | 95.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | -175.8 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | T313 T336 L342 A343 | T313-S339 WeakPolarHBondContact O-CA 3.42Å; T313-S339 WeakPolarHBondContact O-CB 3.38Å; T336-S339 PolarHBondContact N-OG 3.04Å; T336-S339 PolarHBondContact O-N 3.11Å; T336-S339 VanDerWaalsContact O-N 3.15Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 WeakPolarHBondContact OG1-CB 3.29Å; T336-S339 PolarHBondContact OG1-N 2.88Å; T336-S339 PolarHBondContact OG1-OG 3.38Å; T336-S339 VanDerWaalsContact OG1-OG 3.06Å; S339-L342 PolarHBondContact O-N 3.32Å; S339-A343 WeakPolarHBondContact O-CB 3.25Å; S339-A343 PolarHBondContact O-N 3.49Å |
| 340 | V | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.4 | -44.4 | -175.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L210 I284 T286 I333 G335 T336 E338 R344 | L210-V340 HydrophobicContact CD2-CG1 4.17Å; I284-V340 HydrophobicContact CB-CG2 4.4Å; I284-V340 WeakPolarHBondContact O-CG2 3.18Å; T286-V340 HydrophobicContact CG2-CG1 3.42Å; T286-V340 VanDerWaalsContact CG2-CG1 3.42Å; I333-V340 HydrophobicContact CG2-CG1 4.28Å; I333-V340 HydrophobicContact CG2-CG2 4.44Å; G335-V340 VanDerWaalsContact N-CG2 3.26Å; T336-V340 WeakPolarHBondContact O-CB 3.5Å; T336-V340 VanDerWaalsContact O-CG2 3.23Å; T336-V340 WeakPolarHBondContact O-CG2 3.42Å; T336-V340 PolarHBondContact O-N 3.44Å; E338-V340 VanDerWaalsContact C-N 3.28Å; E338-V340 PolarHBondContact O-N 2.8Å; V340-R344 WeakPolarHBondContact O-CB 3.38Å; V340-R344 PolarHBondContact O-N 3.12Å; V340-R344 VanDerWaalsContact O-N 3.09Å |
| 341 | C | 94.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 36 Ų | 36 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 172.5 | -75.3 | 0 | 0 | 0 | 0 | 111.6 | V260 I337 E338 R344 Q345 | V260-C341 HydrophobicContact CG1-CB 4.46Å; I337-C341 PolarHBondContact O-N 3.35Å; E338-C341 PolarHBondContact O-N 2.9Å; C341-R344 PolarHBondContact O-N 3Å; C341-Q345 PolarHBondContact O-N 3.45Å; C341-Q345 VanDerWaalsContact O-N 3.13Å |
| 342 | L | 95.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.325 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.5 | -45.2 | -178.4 | -171.7 | 62.9 | 0 | 0 | 0 | 111.9 | T313 E338 S339 R344 Q345 Y346 | T313-L342 HydrophobicContact CG2-CB 4.33Å; T313-L342 HydrophobicContact CG2-CD2 3.99Å; T313-L342 HydrophobicContact CG2-CG 3.89Å; E338-L342 VanDerWaalsContact O-CB 3.31Å; E338-L342 WeakPolarHBondContact O-CB 3.4Å; E338-L342 PolarHBondContact O-N 2.98Å; S339-L342 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.33Å; L342-Q345 WeakPolarHBondContact O-CB 3.37Å; L342-Q345 PolarHBondContact O-N 3.11Å; L342-Q345 VanDerWaalsContact O-N 3.13Å; L342-Y346 HydrophobicContact CD1-CD2 4.18Å; L342-Y346 HydrophobicContact CD1-CE2 3.75Å; L342-Y346 HydrophobicContact CD2-CE2 4.27Å; L342-Y346 HydrophobicContact CG-CD2 3.97Å; L342-Y346 HydrophobicContact CG-CE2 3.75Å; L342-Y346 WeakPolarHBondContact O-CD2 3.21Å; L342-Y346 PolarHBondContact O-N 2.72Å |
| 343 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T313 A315 I317 I333 S339 Q345 Y346 L347 | T313-A343 HydrophobicContact CG2-CB 4.22Å; A315-A343 HydrophobicContact CB-CB 3.64Å; I317-A343 HydrophobicContact CD1-CB 4.18Å; I333-A343 HydrophobicContact CG2-CB 3.76Å; S339-A343 WeakPolarHBondContact O-CB 3.25Å; S339-A343 PolarHBondContact O-N 3.49Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.22Å; A343-Y346 PolarHBondContact O-N 3.36Å; A343-L347 WeakPolarHBondContact O-CB 3.08Å; A343-L347 WeakPolarHBondContact O-CD1 3.36Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 2.74Å |
| 344 | R | 94 | Very high | 94.5 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 172.7 | -171.7 | 177.3 | -178.2 | -105.2 | 5.2 | 111.3 | E146 P207 T286 L288 I333 V340 C341 L342 L347 M348 | E146-R344 IonicContact OE1-NH2 3.05Å; P207-R344 PolarHBondContact O-NH2 3.31Å; T286-R344 HydrophobicContact CG2-CB 4.43Å; L288-R344 HydrophobicContact CD1-CG 4.49Å; L288-R344 HydrophobicContact CD2-CG 4.28Å; I333-R344 HydrophobicContact CD1-CB 4.02Å; I333-R344 HydrophobicContact CD1-CG 4.5Å; V340-R344 WeakPolarHBondContact O-CB 3.38Å; V340-R344 PolarHBondContact O-N 3.12Å; V340-R344 VanDerWaalsContact O-N 3.09Å; C341-R344 PolarHBondContact O-N 3Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.33Å; R344-L347 PolarHBondContact O-N 3Å; R344-M348 HydrophobicContact CG-SD 3.96Å; R344-M348 WeakPolarHBondContact O-CB 3.29Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.31Å; R344-M348 PolarHBondContact O-N 3.04Å |
| 345 | Q | 93.7 | Very high | 94.6 | Very high | 128 Ų | 128 | 30 Ų | 30 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -64.1 | -46.2 | 176.2 | -176.8 | 178.1 | -10.7 | 0 | 0 | 112.5 | C341 L342 A343 L347 M348 G349 | C341-Q345 PolarHBondContact O-N 3.45Å; C341-Q345 VanDerWaalsContact O-N 3.13Å; L342-Q345 WeakPolarHBondContact O-CB 3.37Å; L342-Q345 PolarHBondContact O-N 3.11Å; L342-Q345 VanDerWaalsContact O-N 3.13Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.22Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 2.95Å; Q345-M348 PolarHBondContact O-N 3.48Å; Q345-G349 PolarHBondContact O-N 3.4Å |
| 346 | Y | 93.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 31.8 Ų | 31.8 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 176 | -83.9 | -79.1 | 0 | 0 | 0 | 112.5 | R312 T313 L342 A343 G349 C350 | R312-Y346 PolarHBondContact NE-OH 3.28Å; T313-Y346 HydrophobicContact CG2-CD2 3.73Å; T313-Y346 HydrophobicContact CG2-CE2 4.06Å; L342-Y346 HydrophobicContact CD1-CD2 4.18Å; L342-Y346 HydrophobicContact CD1-CE2 3.75Å; L342-Y346 HydrophobicContact CD2-CE2 4.27Å; L342-Y346 HydrophobicContact CG-CD2 3.97Å; L342-Y346 HydrophobicContact CG-CE2 3.75Å; L342-Y346 WeakPolarHBondContact O-CD2 3.21Å; L342-Y346 PolarHBondContact O-N 2.72Å; A343-Y346 PolarHBondContact O-N 3.36Å; Y346-G349 PolarHBondContact O-N 3.04Å; Y346-C350 PolarHBondContact O-N 3.23Å; Y346-C350 PolarHBondContact O-SG 3.36Å |
| 347 | L | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -45 | 176.7 | -71.9 | 164.3 | 0 | 0 | 0 | 111.9 | L288 M298 I306 I309 I317 F319 I333 A343 R344 Q345 G349 C350 | L288-L347 HydrophobicContact CD2-CB 4.01Å; M298-L347 HydrophobicContact CE-CB 3.81Å; M298-L347 HydrophobicContact CE-CD2 3.72Å; M298-L347 HydrophobicContact CE-CG 4.39Å; M298-L347 WeakPolarHBondContact CE-O 3.32Å; I306-L347 HydrophobicContact CD1-CD2 3.94Å; I309-L347 HydrophobicContact CD1-CD2 4.12Å; I317-L347 HydrophobicContact CD1-CD1 4.14Å; I317-L347 HydrophobicContact CG2-CD1 4.06Å; F319-L347 HydrophobicContact CZ-CD2 4.36Å; I333-L347 HydrophobicContact CD1-CD1 3.44Å; I333-L347 VanDerWaalsContact CD1-CD1 3.44Å; I333-L347 HydrophobicContact CG1-CD1 3.84Å; A343-L347 WeakPolarHBondContact O-CB 3.08Å; A343-L347 WeakPolarHBondContact O-CD1 3.36Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 2.74Å; R344-L347 PolarHBondContact O-N 3Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 2.95Å; L347-G349 VanDerWaalsContact C-N 3.31Å; L347-G349 PolarHBondContact O-N 2.95Å; L347-C350 WeakPolarHBondContact O-CB 3.49Å; L347-C350 PolarHBondContact O-N 3.27Å |
| 348 | M | 92.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 174.4 | -70.7 | 172.9 | 68.5 | 0 | 0 | 111.5 | L206 L288 R344 Q345 C350 L351 | L206-M348 HydrophobicContact CD1-CE 3.69Å; L288-M348 HydrophobicContact CD1-CG 4Å; L288-M348 HydrophobicContact CD1-SD 4.18Å; L288-M348 HydrophobicContact CD2-CG 3.67Å; R344-M348 HydrophobicContact CG-SD 3.96Å; R344-M348 WeakPolarHBondContact O-CB 3.29Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.31Å; R344-M348 PolarHBondContact O-N 3.04Å; Q345-M348 PolarHBondContact O-N 3.48Å; M348-C350 PolarHBondContact O-N 3.2Å; M348-C350 VanDerWaalsContact O-N 3.12Å; M348-L351 HydrophobicContact CB-CD1 4.47Å; M348-L351 VanDerWaalsContact O-CB 3.29Å; M348-L351 WeakPolarHBondContact O-CB 3.43Å; M348-L351 WeakPolarHBondContact O-CG 3.44Å; M348-L351 PolarHBondContact O-N 3.27Å |
| 349 | G | 93.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 13% | 0.134 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q345 Y346 L347 E400 R401 | Q345-G349 PolarHBondContact O-N 3.4Å; Y346-G349 PolarHBondContact O-N 3.04Å; L347-G349 VanDerWaalsContact C-N 3.31Å; L347-G349 PolarHBondContact O-N 2.95Å; G349-E400 PolarHBondContact O-N 3.11Å; G349-R401 WeakPolarHBondContact O-CB 3.39Å; G349-R401 VanDerWaalsContact O-CG 3.31Å; G349-R401 WeakPolarHBondContact O-CG 3.14Å; G349-R401 PolarHBondContact O-N 3.36Å |
| 350 | C | 93.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.6 | 172.4 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | F297 M298 Y346 L347 M348 | F297-C350 WeakPolarHBondContact CE1-O 3.21Å; M298-C350 HydrophobicContact CE-CB 4.39Å; M298-C350 HydrophobicContact CG-CB 4.13Å; Y346-C350 PolarHBondContact O-N 3.23Å; Y346-C350 PolarHBondContact O-SG 3.36Å; L347-C350 WeakPolarHBondContact O-CB 3.49Å; L347-C350 PolarHBondContact O-N 3.27Å; M348-C350 PolarHBondContact O-N 3.2Å; M348-C350 VanDerWaalsContact O-N 3.12Å |
| 351 | L | 93.2 | Very high | 93 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -72.1 | 147.7 | 172.7 | -67.5 | 171.2 | 0 | 0 | 0 | 110.7 | I290 M298 M348 V399 E400 | I290-L351 HydrophobicContact CG1-CD2 4.46Å; I290-L351 HydrophobicContact CG2-CD2 4.1Å; M298-L351 HydrophobicContact SD-CD2 3.82Å; M348-L351 HydrophobicContact CB-CD1 4.47Å; M348-L351 VanDerWaalsContact O-CB 3.29Å; M348-L351 WeakPolarHBondContact O-CB 3.43Å; M348-L351 WeakPolarHBondContact O-CG 3.44Å; M348-L351 PolarHBondContact O-N 3.27Å; L351-V399 CarbonylContact O-C 3.52Å; L351-V399 WeakPolarHBondContact O-CA 3.48Å; L351-E400 PolarHBondContact O-N 3.25Å |
| 352 | P | 93.5 | Very high | 92.2 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 141.6 | -179.6 | 30 | -35.1 | 0 | 0 | 0 | 111.9 | F297 | F297-P352 HydrophobicContact CE1-CB 4.49Å |
| 353 | L | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.5 | 178.4 | -163 | 70.9 | 0 | 0 | 0 | 109.6 | L138 M140 K397 S398 A403 M406 | L138-L353 HydrophobicContact CD1-CD1 4.17Å; L138-L353 HydrophobicContact CD1-CD2 4.08Å; L138-L353 HydrophobicContact CD1-CG 3.91Å; L138-L353 HydrophobicContact CD2-CD1 4.11Å; L138-L353 HydrophobicContact CG-CD1 4.09Å; L138-L353 HydrophobicContact CG-CG 4.39Å; M140-L353 HydrophobicContact CB-CD1 3.74Å; L353-K397 WeakPolarHBondContact O-CA 3.38Å; L353-S398 PolarHBondContact N-O 2.93Å; L353-S398 PolarHBondContact O-N 2.92Å; L353-S398 VanDerWaalsContact O-O 3.14Å; L353-A403 HydrophobicContact CD2-CB 3.67Å; L353-M406 HydrophobicContact CB-SD 4.11Å; L353-M406 HydrophobicContact CD2-SD 3.95Å; L353-M406 HydrophobicContact CG-SD 4.24Å; L353-M406 WeakPolarHBondContact O-CE 3.46Å |
| 354 | V | 97.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.4 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | L138 K139 M356 I395 V396 K397 | L138-V354 CarbonylContact C-O 3.58Å; L138-V354 WeakPolarHBondContact CA-O 3.35Å; K139-V354 HydrophobicContact CB-CB 4.31Å; K139-V354 PolarHBondContact N-O 3.04Å; K139-V354 PolarHBondContact O-N 3.23Å; V354-M356 HydrophobicContact CG1-CG 4.18Å; V354-I395 HydrophobicContact CG1-CG2 3.62Å; V354-V396 CarbonylContact C-O 3.56Å; V354-V396 WeakPolarHBondContact CA-O 3.31Å; V354-K397 HydrophobicContact CG1-CG 4.21Å; V354-K397 HydrophobicContact CG2-CB 4.42Å; V354-K397 HydrophobicContact CG2-CG 4.07Å |
| 355 | L | 97.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.7 | 174.5 | -179.1 | 67.8 | 0 | 0 | 0 | 109 | V136 L138 F357 V396 M406 Y407 R410 | V136-L355 HydrophobicContact CB-CD1 3.84Å; V136-L355 HydrophobicContact CG1-CD1 4.45Å; V136-L355 HydrophobicContact CG2-CD1 3.91Å; L138-L355 HydrophobicContact CB-CD1 4.48Å; L138-L355 HydrophobicContact CD1-CB 3.96Å; L138-L355 HydrophobicContact CD1-CD1 3.9Å; L355-F357 HydrophobicContact CG-CD1 4.46Å; L355-V396 HydrophobicContact CB-CB 4.4Å; L355-V396 PolarHBondContact N-O 3.19Å; L355-V396 PolarHBondContact O-N 2.88Å; L355-M406 HydrophobicContact CB-CE 3.79Å; L355-M406 HydrophobicContact CD2-CB 4.39Å; L355-M406 WeakPolarHBondContact CD2-O 3.26Å; L355-Y407 HydrophobicContact CD1-CE1 3.92Å; L355-Y407 HydrophobicContact CD2-CD1 3.88Å; L355-Y407 HydrophobicContact CD2-CE1 4.02Å; L355-R410 HydrophobicContact CD2-CB 4.35Å |
| 356 | M | 95.9 | Very high | 89.8 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.6 | 178.3 | -56.7 | 178 | 61.9 | 0 | 0 | 109.6 | V136 T137 K139 V354 V394 I395 | V136-M356 CarbonylContact C-O 3.57Å; V136-M356 WeakPolarHBondContact CA-O 3.26Å; T137-M356 PolarHBondContact N-O 3.19Å; T137-M356 WeakPolarHBondContact O-CB 3.25Å; T137-M356 PolarHBondContact O-N 3.47Å; K139-M356 HydrophobicContact CD-SD 4.19Å; V354-M356 HydrophobicContact CG1-CG 4.18Å; M356-V394 WeakPolarHBondContact CA-O 3.4Å; M356-I395 HydrophobicContact CE-CD1 4.29Å; M356-I395 HydrophobicContact CE-CG1 4.3Å; M356-I395 HydrophobicContact CG-CG1 4.35Å; M356-I395 HydrophobicContact CG-CG2 4.43Å |
| 357 | F | 94.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 172.5 | 174.3 | 66 | -88.8 | 0 | 0 | 0 | 110.4 | V136 L355 V394 V396 R410 L413 L414 | V136-F357 HydrophobicContact CB-CB 4.46Å; V136-F357 HydrophobicContact CG1-CB 3.97Å; L355-F357 HydrophobicContact CG-CD1 4.46Å; F357-V394 HydrophobicContact CD1-CB 4.17Å; F357-V394 HydrophobicContact CD1-CG1 4.39Å; F357-V394 HydrophobicContact CD2-CB 4.15Å; F357-V394 HydrophobicContact CD2-CG2 4.24Å; F357-V394 HydrophobicContact CE1-CB 3.85Å; F357-V394 HydrophobicContact CE1-CG1 3.65Å; F357-V394 HydrophobicContact CE2-CB 3.82Å; F357-V394 HydrophobicContact CE2-CG1 4.2Å; F357-V394 HydrophobicContact CE2-CG2 3.72Å; F357-V394 HydrophobicContact CG-CB 4.31Å; F357-V394 HydrophobicContact CZ-CB 3.66Å; F357-V394 HydrophobicContact CZ-CG1 3.55Å; F357-V394 HydrophobicContact CZ-CG2 3.94Å; F357-V394 PolarHBondContact N-O 3.1Å; F357-V394 PolarHBondContact O-N 2.67Å; F357-V396 HydrophobicContact CE1-CG2 3.94Å; F357-R410 HydrophobicContact CD1-CB 4.18Å; F357-R410 HydrophobicContact CD1-CG 3.88Å; F357-R410 HydrophobicContact CD2-CG 4.14Å; F357-R410 HydrophobicContact CE1-CB 3.6Å; F357-R410 HydrophobicContact CE1-CG 3.66Å; F357-R410 HydrophobicContact CE2-CG 3.94Å; F357-R410 HydrophobicContact CG-CG 4.12Å; F357-R410 HydrophobicContact CZ-CB 3.82Å; F357-R410 HydrophobicContact CZ-CG 3.69Å; F357-L413 HydrophobicContact CZ-CB 4.17Å; F357-L413 HydrophobicContact CZ-CD1 4.04Å; F357-L414 HydrophobicContact CD2-CD1 4.33Å; F357-L414 HydrophobicContact CD2-CD2 4.21Å; F357-L414 HydrophobicContact CD2-CG 4.39Å; F357-L414 HydrophobicContact CE2-CD1 4.29Å; F357-L414 HydrophobicContact CE2-CD2 3.94Å; F357-L414 HydrophobicContact CE2-CG 3.94Å |
| 358 | D | 90.7 | Very high | 89.4 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 146.1 | 178.2 | -60.4 | -43.7 | 0 | 0 | 0 | 110.4 | K386 K392 S393 | D358-K386 WeakPolarHBondContact OD1-CE 3.49Å; D358-K386 IonicContact OD1-NZ 2.66Å; D358-K386 PolarHBondContact OD1-NZ 2.79Å; D358-K386 IonicContact OD2-NZ 2.76Å; D358-K386 PolarHBondContact OD2-NZ 3.47Å; D358-K392 WeakPolarHBondContact CA-O 3.16Å; D358-S393 WeakPolarHBondContact OD1-CB 3.36Å; D358-S393 PolarHBondContact OD1-OG 2.9Å |
| 359 | I | 89.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.3 | 175.8 | -175.1 | 179.9 | 0 | 0 | 0 | 108.4 | I363 V365 S391 K392 V394 L413 L414 | I359-I363 HydrophobicContact CD1-CB 3.78Å; I359-I363 HydrophobicContact CD1-CD1 4.2Å; I359-I363 HydrophobicContact CD1-CG2 3.67Å; I359-I363 HydrophobicContact CG1-CB 3.94Å; I359-I363 HydrophobicContact CG1-CD1 3.74Å; I359-I363 HydrophobicContact CG1-CG1 4.39Å; I359-I363 HydrophobicContact CG1-CG2 4.33Å; I359-V365 HydrophobicContact CD1-CG2 4.04Å; I359-S391 CarbonylContact O-C 3.59Å; I359-S391 WeakPolarHBondContact O-CA 3.33Å; I359-S391 WeakPolarHBondContact O-CB 3.37Å; I359-K392 HydrophobicContact CG2-CB 3.67Å; I359-K392 HydrophobicContact CG2-CD 4.48Å; I359-K392 WeakPolarHBondContact CG2-O 3.49Å; I359-K392 PolarHBondContact N-O 3.19Å; I359-K392 PolarHBondContact O-N 3.16Å; I359-V394 HydrophobicContact CB-CG2 4.24Å; I359-V394 HydrophobicContact CG2-CG2 3.73Å; I359-L413 WeakPolarHBondContact CD1-O 3.43Å; I359-L414 HydrophobicContact CB-CD2 4.08Å; I359-L414 HydrophobicContact CG1-CD2 3.98Å |
| 360 | K | 84.2 | Confident | 89.1 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 151.4 | 175.5 | -63.2 | -170.4 | -179.4 | -179.7 | 0 | 110.9 | D123 D362 I363 | D123-K360 IonicContact OD1-NZ 3.02Å; D123-K360 PolarHBondContact OD1-NZ 2.85Å; D123-K360 IonicContact OD2-NZ 2.75Å; D123-K360 PolarHBondContact OD2-NZ 2.88Å; K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 WeakPolarHBondContact CB-OD1 3.44Å; K360-D362 WeakPolarHBondContact CB-OD2 3.19Å; K360-D362 WeakPolarHBondContact CD-OD2 3.47Å; K360-I363 HydrophobicContact CB-CD1 4.19Å; K360-I363 HydrophobicContact CB-CG1 4.29Å; K360-I363 PolarHBondContact O-N 2.61Å |
| 361 | E | 81.6 | Confident | 89 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -34.7 | 178.6 | -178 | 155.9 | -126.2 | 0 | 0 | 112.4 | I363 P390 K392 | E361-I363 PolarHBondContact O-N 3.24Å; E361-P390 HydrophobicContact CB-CB 4.33Å; E361-P390 PolarHBondContact N-O 3.46Å; E361-P390 VanDerWaalsContact OE2-CA 3.27Å; E361-P390 WeakPolarHBondContact OE2-CA 3.41Å; E361-P390 WeakPolarHBondContact OE2-CB 3.31Å; E361-K392 VanDerWaalsContact O-CE 3.27Å; E361-K392 WeakPolarHBondContact O-CE 3.23Å; E361-K392 PolarHBondContact O-NZ 3.38Å |
| 362 | D | 78 | Confident | 89 | Confident | 122 Ų | 122 | 61 Ų | 61 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.9 | 173.7 | 36.3 | -69.2 | 0 | 0 | 0 | 115.2 | K360 | K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 WeakPolarHBondContact CB-OD1 3.44Å; K360-D362 WeakPolarHBondContact CB-OD2 3.19Å; K360-D362 WeakPolarHBondContact CD-OD2 3.47Å |
| 363 | I | 81.3 | Confident | 89 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | trans | -95.7 | 110.9 | 168.9 | -55.1 | 165.2 | 0 | 0 | 0 | 109 | I359 K360 E361 V365 K392 | I359-I363 HydrophobicContact CD1-CB 3.78Å; I359-I363 HydrophobicContact CD1-CD1 4.2Å; I359-I363 HydrophobicContact CD1-CG2 3.67Å; I359-I363 HydrophobicContact CG1-CB 3.94Å; I359-I363 HydrophobicContact CG1-CD1 3.74Å; I359-I363 HydrophobicContact CG1-CG1 4.39Å; I359-I363 HydrophobicContact CG1-CG2 4.33Å; K360-I363 HydrophobicContact CB-CD1 4.19Å; K360-I363 HydrophobicContact CB-CG1 4.29Å; K360-I363 PolarHBondContact O-N 2.61Å; E361-I363 PolarHBondContact O-N 3.24Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; I363-K392 PolarHBondContact O-NZ 3.44Å | ||
| 364 | E | 78.8 | Confident | 88.9 | Confident | 173 Ų | 173 | 61.5 Ų | 61.5 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | trans | -91 | 134.3 | 167.5 | -57.6 | -151.4 | 136.9 | 0 | 0 | 110.2 | ||||
| 365 | V | 81.8 | Confident | 88.7 | Confident | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | trans | -123.7 | 121.6 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 107.3 | I359 I363 I370 L413 | I359-V365 HydrophobicContact CD1-CG2 4.04Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; V365-I370 HydrophobicContact CB-CD1 4.31Å; V365-I370 HydrophobicContact CB-CG1 4.35Å; V365-I370 HydrophobicContact CG1-CD1 4.14Å; V365-I370 HydrophobicContact CG1-CG1 3.64Å; V365-L413 HydrophobicContact CB-CD2 4.42Å; V365-L413 HydrophobicContact CG1-CD2 3.71Å; V365-L413 HydrophobicContact CG2-CD2 4.2Å | ||
| 366 | E | 86.4 | Confident | 88.6 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | trans | -66.1 | 135.9 | -175.3 | -168 | -177.3 | -174.6 | 0 | 0 | 111.8 | Q368 C369 I370 | E366-Q368 HydrophobicContact CG-CB 4.2Å; E366-Q368 HydrophobicContact CG-CG 4.28Å; E366-Q368 PolarHBondContact O-N 3.3Å; E366-Q368 WeakPolarHBondContact OE1-CG 3.48Å; E366-Q368 PolarHBondContact OE1-NE2 3.09Å; E366-C369 HydrophobicContact CB-CB 4.19Å; E366-C369 WeakPolarHBondContact O-CB 3.34Å; E366-C369 PolarHBondContact O-N 3.21Å; E366-I370 WeakPolarHBondContact O-CG1 3.46Å; E366-I370 PolarHBondContact O-N 3.24Å | ||
| 367 | P | 88.4 | Confident | 88.6 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.1 | -32.6 | 176.8 | -27.3 | 35.8 | 0 | 0 | 0 | 114.5 | I370 T371 | P367-I370 PolarHBondContact O-N 3.1Å; P367-T371 PolarHBondContact O-N 2.78Å; P367-T371 PolarHBondContact O-OG1 3.46Å |
| 368 | Q | 89.5 | Confident | 88.5 | Confident | 139 Ų | 139 | 73.5 Ų | 73.5 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -48.2 | 174.1 | -57.6 | -164.8 | 67 | 0 | 0 | 110.8 | E366 I370 T371 A372 | E366-Q368 HydrophobicContact CG-CB 4.2Å; E366-Q368 HydrophobicContact CG-CG 4.28Å; E366-Q368 PolarHBondContact O-N 3.3Å; E366-Q368 WeakPolarHBondContact OE1-CG 3.48Å; E366-Q368 PolarHBondContact OE1-NE2 3.09Å; Q368-I370 PolarHBondContact O-N 3.33Å; Q368-T371 WeakPolarHBondContact O-CB 3.49Å; Q368-T371 PolarHBondContact O-N 3.15Å; Q368-T371 VanDerWaalsContact O-N 3.13Å; Q368-A372 PolarHBondContact O-N 2.86Å |
| 369 | C | 89.4 | Confident | 88.8 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 178.8 | -162.2 | 0 | 0 | 0 | 0 | 112.4 | E366 T371 L373 F412 | E366-C369 HydrophobicContact CB-CB 4.19Å; E366-C369 WeakPolarHBondContact O-CB 3.34Å; E366-C369 PolarHBondContact O-N 3.21Å; C369-T371 VanDerWaalsContact C-N 3.3Å; C369-T371 PolarHBondContact O-N 2.87Å; C369-L373 VanDerWaalsContact O-CB 3.25Å; C369-L373 WeakPolarHBondContact O-CB 3.26Å; C369-L373 PolarHBondContact O-N 3.24Å; C369-F412 WeakPolarHBondContact SG-CE1 3.29Å; C369-F412 WeakPolarHBondContact SG-CZ 3.09Å |
| 370 | I | 91.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 172.6 | -61.5 | 169.6 | 0 | 0 | 0 | 110.6 | V365 E366 P367 Q368 L373 M374 I381 I383 | V365-I370 HydrophobicContact CB-CD1 4.31Å; V365-I370 HydrophobicContact CB-CG1 4.35Å; V365-I370 HydrophobicContact CG1-CD1 4.14Å; V365-I370 HydrophobicContact CG1-CG1 3.64Å; E366-I370 WeakPolarHBondContact O-CG1 3.46Å; E366-I370 PolarHBondContact O-N 3.24Å; P367-I370 PolarHBondContact O-N 3.1Å; Q368-I370 PolarHBondContact O-N 3.33Å; I370-L373 PolarHBondContact O-N 3.18Å; I370-M374 HydrophobicContact CG2-CG 4.48Å; I370-M374 HydrophobicContact CG2-SD 4.08Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.28Å; I370-M374 WeakPolarHBondContact O-CG 3.45Å; I370-M374 PolarHBondContact O-N 2.96Å; I370-I381 HydrophobicContact CG2-CB 4.07Å; I370-I381 HydrophobicContact CG2-CG2 4.01Å; I370-I383 HydrophobicContact CD1-CD1 3.69Å; I370-I383 HydrophobicContact CD1-CG1 4.43Å; I370-I383 HydrophobicContact CG1-CD1 4.43Å |
| 371 | T | 92 | Very high | 89.7 | Confident | 79 Ų | 79 | 69 Ų | 69 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | -179.1 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | P367 Q368 C369 L373 M374 E375 | P367-T371 PolarHBondContact O-N 2.78Å; P367-T371 PolarHBondContact O-OG1 3.46Å; Q368-T371 WeakPolarHBondContact O-CB 3.49Å; Q368-T371 PolarHBondContact O-N 3.15Å; Q368-T371 VanDerWaalsContact O-N 3.13Å; C369-T371 VanDerWaalsContact C-N 3.3Å; C369-T371 PolarHBondContact O-N 2.87Å; T371-L373 VanDerWaalsContact C-N 3.35Å; T371-L373 PolarHBondContact O-N 3.41Å; T371-M374 WeakPolarHBondContact O-CB 3.21Å; T371-M374 PolarHBondContact O-N 3.33Å; T371-E375 PolarHBondContact O-N 3.4Å; T371-E375 VanDerWaalsContact O-N 3.14Å |
| 372 | A | 92.6 | Very high | 90.3 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q368 M374 E375 Q376 | Q368-A372 PolarHBondContact O-N 2.86Å; A372-M374 VanDerWaalsContact C-N 3.33Å; A372-M374 PolarHBondContact O-N 3.48Å; A372-E375 PolarHBondContact O-N 3.49Å; A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.38Å; A372-Q376 PolarHBondContact O-N 3.09Å |
| 373 | L | 93.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 177.3 | -170.1 | 69.7 | 0 | 0 | 0 | 112.5 | C369 I370 T371 L377 I381 A409 F412 L413 | C369-L373 VanDerWaalsContact O-CB 3.25Å; C369-L373 WeakPolarHBondContact O-CB 3.26Å; C369-L373 PolarHBondContact O-N 3.24Å; I370-L373 PolarHBondContact O-N 3.18Å; T371-L373 VanDerWaalsContact C-N 3.35Å; T371-L373 PolarHBondContact O-N 3.41Å; L373-L377 HydrophobicContact CD1-CD1 3.46Å; L373-L377 VanDerWaalsContact CD1-CD1 3.46Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.17Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-I381 HydrophobicContact CB-CD1 4.36Å; L373-I381 HydrophobicContact CD2-CD1 3.71Å; L373-I381 HydrophobicContact CG-CD1 4.02Å; L373-A409 HydrophobicContact CD2-CB 4.31Å; L373-A409 HydrophobicContact CG-CB 4.5Å; L373-F412 HydrophobicContact CD1-CB 4.09Å; L373-F412 HydrophobicContact CD1-CD1 4.03Å; L373-F412 HydrophobicContact CD1-CD2 4.25Å; L373-F412 HydrophobicContact CD1-CG 3.84Å; L373-F412 HydrophobicContact CD2-CB 4.25Å; L373-F412 HydrophobicContact CD2-CD1 3.66Å; L373-F412 HydrophobicContact CD2-CE1 4.39Å; L373-F412 HydrophobicContact CD2-CG 4.13Å; L373-F412 HydrophobicContact CG-CD1 4.44Å; L373-L413 HydrophobicContact CD2-CD1 4.47Å; L373-L413 HydrophobicContact CD2-CD2 4.09Å; L373-L413 HydrophobicContact CD2-CG 3.9Å |
| 374 | M | 94.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 17% | 0.172 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.8 | -78.2 | 176.6 | 43.7 | 0 | 0 | 112.5 | I370 T371 A372 D378 V379 F380 I381 | I370-M374 HydrophobicContact CG2-CG 4.48Å; I370-M374 HydrophobicContact CG2-SD 4.08Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.28Å; I370-M374 WeakPolarHBondContact O-CG 3.45Å; I370-M374 PolarHBondContact O-N 2.96Å; T371-M374 WeakPolarHBondContact O-CB 3.21Å; T371-M374 PolarHBondContact O-N 3.33Å; A372-M374 VanDerWaalsContact C-N 3.33Å; A372-M374 PolarHBondContact O-N 3.48Å; M374-D378 PolarHBondContact O-N 3.41Å; M374-V379 VanDerWaalsContact CA-O 3.26Å; M374-V379 WeakPolarHBondContact CA-O 3.27Å; M374-V379 VanDerWaalsContact CB-O 3.22Å; M374-V379 WeakPolarHBondContact CB-O 3.17Å; M374-V379 VanDerWaalsContact CG-O 3.27Å; M374-V379 WeakPolarHBondContact CG-O 3.47Å; M374-V379 PolarHBondContact O-N 3.36Å; M374-V379 VanDerWaalsContact O-N 3.17Å; M374-F380 HydrophobicContact CE-CD2 3.95Å; M374-F380 HydrophobicContact CE-CE2 4.43Å; M374-I381 HydrophobicContact CG-CB 3.78Å; M374-I381 HydrophobicContact CG-CD1 3.81Å; M374-I381 HydrophobicContact CG-CG1 3.68Å; M374-I381 HydrophobicContact SD-CB 3.88Å; M374-I381 HydrophobicContact SD-CG1 4.45Å; M374-I381 PolarHBondContact SD-N 3.02Å; M374-I381 VanDerWaalsContact SD-N 3.44Å |
| 375 | E | 93.1 | Very high | 92.1 | Very high | 146 Ų | 146 | 62.6 Ų | 62.6 | 68% | 0.682 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.8 | -51.3 | 178.1 | -175.8 | 170.4 | -165.1 | 0 | 0 | 111.8 | T371 A372 L377 D378 | T371-E375 PolarHBondContact O-N 3.4Å; T371-E375 VanDerWaalsContact O-N 3.14Å; A372-E375 PolarHBondContact O-N 3.49Å; E375-L377 PolarHBondContact O-N 3.2Å; E375-D378 PolarHBondContact O-N 3.42Å |
| 376 | Q | 95.1 | Very high | 92.4 | Very high | 152 Ų | 152 | 63.2 Ų | 63.2 | 71% | 0.71 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | -176.9 | -179.8 | 178.6 | -17.7 | 0 | 0 | 113.2 | A372 | A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.38Å; A372-Q376 PolarHBondContact O-N 3.09Å |
| 377 | L | 94.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -98.5 | -2.1 | -174.4 | -65.5 | -176.4 | 0 | 0 | 0 | 114.3 | L373 E375 V379 N402 N405 E408 A409 | L373-L377 HydrophobicContact CD1-CD1 3.46Å; L373-L377 VanDerWaalsContact CD1-CD1 3.46Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.17Å; L373-L377 PolarHBondContact O-N 3.12Å; E375-L377 PolarHBondContact O-N 3.2Å; L377-V379 HydrophobicContact CB-CG1 4.31Å; L377-V379 HydrophobicContact CB-CG2 3.96Å; L377-N402 PolarHBondContact O-ND2 3.3Å; L377-N405 HydrophobicContact CB-CB 4.18Å; L377-N405 WeakPolarHBondContact O-CB 3.48Å; L377-N405 PolarHBondContact O-ND2 3.23Å; L377-E408 HydrophobicContact CD1-CB 4.2Å; L377-A409 HydrophobicContact CD1-CB 3.8Å |
| 378 | D | 93.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 48.7 | -176.7 | -161.4 | 0.4 | 0 | 0 | 0 | 112.4 | M374 E375 S398 N402 G446 L447 | M374-D378 PolarHBondContact O-N 3.41Å; E375-D378 PolarHBondContact O-N 3.42Å; D378-S398 PolarHBondContact O-OG 3.35Å; D378-N402 PolarHBondContact O-ND2 2.93Å; D378-G446 WeakPolarHBondContact OD1-CA 3.39Å; D378-G446 WeakPolarHBondContact OD2-CA 2.76Å; D378-G446 PolarHBondContact OD2-N 3.39Å; D378-L447 PolarHBondContact OD1-N 2.91Å |
| 379 | V | 96 | Very high | 91 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | trans | -133.3 | 148.3 | -175.9 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | M374 L377 I381 V396 N405 M406 A409 | M374-V379 VanDerWaalsContact CA-O 3.26Å; M374-V379 WeakPolarHBondContact CA-O 3.27Å; M374-V379 VanDerWaalsContact CB-O 3.22Å; M374-V379 WeakPolarHBondContact CB-O 3.17Å; M374-V379 VanDerWaalsContact CG-O 3.27Å; M374-V379 WeakPolarHBondContact CG-O 3.47Å; M374-V379 PolarHBondContact O-N 3.36Å; M374-V379 VanDerWaalsContact O-N 3.17Å; L377-V379 HydrophobicContact CB-CG1 4.31Å; L377-V379 HydrophobicContact CB-CG2 3.96Å; V379-I381 HydrophobicContact CG2-CD1 3.98Å; V379-I381 HydrophobicContact CG2-CG1 3.96Å; V379-V396 HydrophobicContact CB-CG1 3.91Å; V379-V396 HydrophobicContact CG1-CG1 4.2Å; V379-V396 HydrophobicContact CG2-CG1 4.35Å; V379-N405 HydrophobicContact CG1-CB 4.36Å; V379-M406 HydrophobicContact CG1-CG 3.97Å; V379-A409 HydrophobicContact CG2-CB 4.23Å | ||
| 380 | F | 96.2 | Very high | 90.6 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 17% | 0.167 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.6 | 169.8 | 177.2 | -86.4 | 0 | 0 | 0 | 110.2 | M374 V396 K397 L450 L457 | M374-F380 HydrophobicContact CE-CD2 3.95Å; M374-F380 HydrophobicContact CE-CE2 4.43Å; F380-V396 CarbonylContact O-C 3.53Å; F380-V396 WeakPolarHBondContact O-CA 2.93Å; F380-K397 HydrophobicContact CB-CB 4.33Å; F380-K397 HydrophobicContact CD1-CD 3.91Å; F380-K397 HydrophobicContact CD1-CG 4.21Å; F380-K397 HydrophobicContact CE1-CD 4.48Å; F380-K397 PolarHBondContact N-O 3.3Å; F380-K397 PolarHBondContact O-N 2.97Å; F380-L450 HydrophobicContact CB-CD1 4.46Å; F380-L457 HydrophobicContact CD2-CD2 4.49Å; F380-L457 HydrophobicContact CE2-CD2 4.31Å |
| 381 | I | 96.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.6 | -177 | -58.3 | 172.2 | 0 | 0 | 0 | 109.6 | I370 L373 M374 V379 I383 V394 V396 A409 L413 | I370-I381 HydrophobicContact CG2-CB 4.07Å; I370-I381 HydrophobicContact CG2-CG2 4.01Å; L373-I381 HydrophobicContact CB-CD1 4.36Å; L373-I381 HydrophobicContact CD2-CD1 3.71Å; L373-I381 HydrophobicContact CG-CD1 4.02Å; M374-I381 HydrophobicContact CG-CB 3.78Å; M374-I381 HydrophobicContact CG-CD1 3.81Å; M374-I381 HydrophobicContact CG-CG1 3.68Å; M374-I381 HydrophobicContact SD-CB 3.88Å; M374-I381 HydrophobicContact SD-CG1 4.45Å; M374-I381 PolarHBondContact SD-N 3.02Å; M374-I381 VanDerWaalsContact SD-N 3.44Å; V379-I381 HydrophobicContact CG2-CD1 3.98Å; V379-I381 HydrophobicContact CG2-CG1 3.96Å; I381-I383 HydrophobicContact CG2-CG1 4.18Å; I381-V394 HydrophobicContact CG2-CG1 4.24Å; I381-V396 HydrophobicContact CG1-CG1 4.39Å; I381-V396 HydrophobicContact CG1-CG2 4.42Å; I381-A409 HydrophobicContact CD1-CB 4.32Å; I381-L413 HydrophobicContact CD1-CD1 4.26Å; I381-L413 HydrophobicContact CG2-CD1 3.98Å |
| 382 | S | 94.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 115 | 172.1 | -172 | 0 | 0 | 0 | 0 | 110.1 | K384 I395 | S382-K384 WeakPolarHBondContact OG-CE 3.39Å; S382-I395 PolarHBondContact N-O 2.83Å; S382-I395 PolarHBondContact O-N 2.98Å |
| 383 | I | 93.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 67 Ų | 67 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.5 | 176.2 | -51.9 | -172.4 | 0 | 0 | 0 | 108.5 | I370 I381 K392 S393 V394 L413 | I370-I383 HydrophobicContact CD1-CD1 3.69Å; I370-I383 HydrophobicContact CD1-CG1 4.43Å; I370-I383 HydrophobicContact CG1-CD1 4.43Å; I381-I383 HydrophobicContact CG2-CG1 4.18Å; I383-K392 HydrophobicContact CG2-CB 3.67Å; I383-K392 HydrophobicContact CG2-CD 4.49Å; I383-K392 HydrophobicContact CG2-CG 4.5Å; I383-S393 WeakPolarHBondContact CA-O 3.3Å; I383-V394 HydrophobicContact CD1-CG2 4.46Å; I383-V394 HydrophobicContact CG1-CG1 4.32Å; I383-V394 HydrophobicContact CG1-CG2 4.17Å; I383-V394 HydrophobicContact CG2-CG2 4.44Å; I383-L413 HydrophobicContact CD1-CD2 4.33Å |
| 384 | K | 91.4 | Very high | 90.5 | Very high | 128 Ų | 128 | 66.6 Ų | 66.6 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 127.6 | 178 | -61.1 | -170.2 | 178.6 | -168.4 | 0 | 111.2 | S382 K392 S393 | S382-K384 WeakPolarHBondContact OG-CE 3.39Å; K384-K392 CarbonylContact O-C 3.55Å; K384-S393 PolarHBondContact N-O 2.78Å; K384-S393 PolarHBondContact O-N 2.8Å |
| 385 | P | 89.7 | Confident | 90.6 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 145 | 175.9 | 27.9 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 386 | K | 88.6 | Confident | 90.8 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | trans | -92.6 | 121.2 | 176.8 | -67.8 | -174.9 | -176.7 | 177 | 0 | 110.6 | D358 K388 Q389 S391 | D358-K386 WeakPolarHBondContact OD1-CE 3.49Å; D358-K386 IonicContact OD1-NZ 2.66Å; D358-K386 PolarHBondContact OD1-NZ 2.79Å; D358-K386 IonicContact OD2-NZ 2.76Å; D358-K386 PolarHBondContact OD2-NZ 3.47Å; K386-K388 PolarHBondContact O-N 2.91Å; K386-Q389 HydrophobicContact CB-CB 4.14Å; K386-Q389 HydrophobicContact CD-CB 4.13Å; K386-Q389 HydrophobicContact CD-CG 4.44Å; K386-Q389 PolarHBondContact O-N 3.05Å; K386-S391 WeakPolarHBondContact CB-O 3.42Å; K386-S391 WeakPolarHBondContact CG-O 3.46Å; K386-S391 PolarHBondContact N-O 2.91Å; K386-S391 VanDerWaalsContact N-O 3.16Å | ||
| 387 | P | 80.6 | Confident | 90.9 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 87% | 0.87 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 13.4 | -173.4 | 30.3 | -37.7 | 0 | 0 | 0 | 115.5 | ||
| 388 | K | 76.8 | Confident | 90.9 | Very high | 201 Ų | 201 | 54.8 Ų | 54.8 | 87% | 0.874 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.1 | 12.1 | 179.3 | -64.5 | -162.4 | 176 | -162.3 | 0 | 114 | K386 | K386-K388 PolarHBondContact O-N 2.91Š|
| 389 | Q | 76.7 | Confident | 91 | Very high | 105 Ų | 105 | 53.5 Ų | 53.5 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -148.2 | 142.8 | -179.7 | -63.7 | -172.6 | -42.5 | 0 | 0 | 110 | K386 S391 | K386-Q389 HydrophobicContact CB-CB 4.14Å; K386-Q389 HydrophobicContact CD-CB 4.13Å; K386-Q389 HydrophobicContact CD-CG 4.44Å; K386-Q389 PolarHBondContact O-N 3.05Å; Q389-S391 WeakPolarHBondContact CB-OG 3.44Å; Q389-S391 PolarHBondContact O-N 3.26Å |
| 390 | P | 82.6 | Confident | 90.9 | Very high | 98 Ų | 98 | 54 Ų | 54 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -76.2 | 62.6 | 173 | 33.5 | -35.8 | 0 | 0 | 0 | 110.5 | E361 | E361-P390 HydrophobicContact CB-CB 4.33Å; E361-P390 PolarHBondContact N-O 3.46Å; E361-P390 VanDerWaalsContact OE2-CA 3.27Å; E361-P390 WeakPolarHBondContact OE2-CA 3.41Å; E361-P390 WeakPolarHBondContact OE2-CB 3.31Å |
| 391 | S | 87.8 | Confident | 90.8 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 145.1 | 177.8 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | I359 K386 Q389 | I359-S391 CarbonylContact O-C 3.59Å; I359-S391 WeakPolarHBondContact O-CA 3.33Å; I359-S391 WeakPolarHBondContact O-CB 3.37Å; K386-S391 WeakPolarHBondContact CB-O 3.42Å; K386-S391 WeakPolarHBondContact CG-O 3.46Å; K386-S391 PolarHBondContact N-O 2.91Å; K386-S391 VanDerWaalsContact N-O 3.16Å; Q389-S391 WeakPolarHBondContact CB-OG 3.44Å; Q389-S391 PolarHBondContact O-N 3.26Å |
| 392 | K | 90.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.4 | 171.9 | -50 | 152.5 | -171.7 | 166.4 | 0 | 106.4 | D358 I359 E361 I363 I383 K384 | D358-K392 WeakPolarHBondContact CA-O 3.16Å; I359-K392 HydrophobicContact CG2-CB 3.67Å; I359-K392 HydrophobicContact CG2-CD 4.48Å; I359-K392 WeakPolarHBondContact CG2-O 3.49Å; I359-K392 PolarHBondContact N-O 3.19Å; I359-K392 PolarHBondContact O-N 3.16Å; E361-K392 VanDerWaalsContact O-CE 3.27Å; E361-K392 WeakPolarHBondContact O-CE 3.23Å; E361-K392 PolarHBondContact O-NZ 3.38Å; I363-K392 PolarHBondContact O-NZ 3.44Å; I383-K392 HydrophobicContact CG2-CB 3.67Å; I383-K392 HydrophobicContact CG2-CD 4.49Å; I383-K392 HydrophobicContact CG2-CG 4.5Å; K384-K392 CarbonylContact O-C 3.55Å |
| 393 | S | 92.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.1 | 176.1 | -150.8 | 0 | 0 | 0 | 0 | 109.2 | D358 I383 K384 | D358-S393 WeakPolarHBondContact OD1-CB 3.36Å; D358-S393 PolarHBondContact OD1-OG 2.9Å; I383-S393 WeakPolarHBondContact CA-O 3.3Å; K384-S393 PolarHBondContact N-O 2.78Å; K384-S393 PolarHBondContact O-N 2.8Å |
| 394 | V | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.2 | -178.2 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | M356 F357 I359 I381 I383 V396 L413 | M356-V394 WeakPolarHBondContact CA-O 3.4Å; F357-V394 HydrophobicContact CD1-CB 4.17Å; F357-V394 HydrophobicContact CD1-CG1 4.39Å; F357-V394 HydrophobicContact CD2-CB 4.15Å; F357-V394 HydrophobicContact CD2-CG2 4.24Å; F357-V394 HydrophobicContact CE1-CB 3.85Å; F357-V394 HydrophobicContact CE1-CG1 3.65Å; F357-V394 HydrophobicContact CE2-CB 3.82Å; F357-V394 HydrophobicContact CE2-CG1 4.2Å; F357-V394 HydrophobicContact CE2-CG2 3.72Å; F357-V394 HydrophobicContact CG-CB 4.31Å; F357-V394 HydrophobicContact CZ-CB 3.66Å; F357-V394 HydrophobicContact CZ-CG1 3.55Å; F357-V394 HydrophobicContact CZ-CG2 3.94Å; F357-V394 PolarHBondContact N-O 3.1Å; F357-V394 PolarHBondContact O-N 2.67Å; I359-V394 HydrophobicContact CB-CG2 4.24Å; I359-V394 HydrophobicContact CG2-CG2 3.73Å; I381-V394 HydrophobicContact CG2-CG1 4.24Å; I383-V394 HydrophobicContact CD1-CG2 4.46Å; I383-V394 HydrophobicContact CG1-CG1 4.32Å; I383-V394 HydrophobicContact CG1-CG2 4.17Å; I383-V394 HydrophobicContact CG2-CG2 4.44Å; V394-V396 HydrophobicContact CG1-CG2 4.07Å; V394-L413 HydrophobicContact CG1-CD1 3.86Å |
| 395 | I | 96.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 54 Ų | 54 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111 | 173.2 | -54.4 | 178.9 | 0 | 0 | 0 | 107.8 | V354 M356 S382 K397 | V354-I395 HydrophobicContact CG1-CG2 3.62Å; M356-I395 HydrophobicContact CE-CD1 4.29Å; M356-I395 HydrophobicContact CE-CG1 4.3Å; M356-I395 HydrophobicContact CG-CG1 4.35Å; M356-I395 HydrophobicContact CG-CG2 4.43Å; S382-I395 PolarHBondContact N-O 2.83Å; S382-I395 PolarHBondContact O-N 2.98Å; I395-K397 HydrophobicContact CG2-CG 4.24Å |
| 396 | V | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.6 | 171.2 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | V354 L355 F357 V379 F380 I381 V394 M406 | V354-V396 CarbonylContact C-O 3.56Å; V354-V396 WeakPolarHBondContact CA-O 3.31Å; L355-V396 HydrophobicContact CB-CB 4.4Å; L355-V396 PolarHBondContact N-O 3.19Å; L355-V396 PolarHBondContact O-N 2.88Å; F357-V396 HydrophobicContact CE1-CG2 3.94Å; V379-V396 HydrophobicContact CB-CG1 3.91Å; V379-V396 HydrophobicContact CG1-CG1 4.2Å; V379-V396 HydrophobicContact CG2-CG1 4.35Å; F380-V396 CarbonylContact O-C 3.53Å; F380-V396 WeakPolarHBondContact O-CA 2.93Å; I381-V396 HydrophobicContact CG1-CG1 4.39Å; I381-V396 HydrophobicContact CG1-CG2 4.42Å; V394-V396 HydrophobicContact CG1-CG2 4.07Å; V396-M406 HydrophobicContact CB-CE 4.26Å; V396-M406 HydrophobicContact CG1-CB 4.11Å; V396-M406 HydrophobicContact CG1-CE 4.12Å; V396-M406 HydrophobicContact CG1-CG 4.09Å; V396-M406 VanDerWaalsContact O-CE 3.23Å; V396-M406 WeakPolarHBondContact O-CE 3.27Å |
| 397 | K | 96.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.2 | 175.4 | -46.9 | 177.2 | -174.4 | 166.7 | 0 | 110.1 | L353 V354 F380 I395 L455 | L353-K397 WeakPolarHBondContact O-CA 3.38Å; V354-K397 HydrophobicContact CG1-CG 4.21Å; V354-K397 HydrophobicContact CG2-CB 4.42Å; V354-K397 HydrophobicContact CG2-CG 4.07Å; F380-K397 HydrophobicContact CB-CB 4.33Å; F380-K397 HydrophobicContact CD1-CD 3.91Å; F380-K397 HydrophobicContact CD1-CG 4.21Å; F380-K397 HydrophobicContact CE1-CD 4.48Å; F380-K397 PolarHBondContact N-O 3.3Å; F380-K397 PolarHBondContact O-N 2.97Å; I395-K397 HydrophobicContact CG2-CG 4.24Å; K397-L455 HydrophobicContact CD-CD1 4.31Å |
| 398 | S | 96 | Very high | 92.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | -158.1 | 165.6 | -163.5 | 0 | 0 | 0 | 0 | 109.4 | L353 D378 N402 | L353-S398 PolarHBondContact N-O 2.93Å; L353-S398 PolarHBondContact O-N 2.92Å; L353-S398 VanDerWaalsContact O-O 3.14Å; D378-S398 PolarHBondContact O-OG 3.35Å; S398-N402 PolarHBondContact OG-ND2 3.4Å |
| 399 | V | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.5 | 171.8 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | F297 L351 R401 N402 I449 | F297-V399 HydrophobicContact CE1-CG1 3.85Å; F297-V399 HydrophobicContact CZ-CG1 3.78Å; L351-V399 CarbonylContact O-C 3.52Å; L351-V399 WeakPolarHBondContact O-CA 3.48Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 HydrophobicContact CG2-CG 3.71Å; V399-R401 PolarHBondContact O-N 3.22Å; V399-N402 HydrophobicContact CG2-CB 4.02Å; V399-N402 WeakPolarHBondContact O-CA 3.28Å; V399-N402 WeakPolarHBondContact O-CB 3.18Å; V399-N402 PolarHBondContact O-N 3.26Å; V399-I449 HydrophobicContact CG1-CG2 4.09Å |
| 400 | E | 94.6 | Very high | 94 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -60.8 | -30.9 | -173.8 | -175 | 170.2 | -164.8 | 0 | 0 | 113.9 | R199 R203 G349 L351 N402 A403 | R199-E400 IonicContact CZ-OE1 3.49Å; R199-E400 IonicContact NH1-OE1 3.04Å; R199-E400 PolarHBondContact NH1-OE1 3.22Å; R203-E400 WeakPolarHBondContact CG-OE1 3.08Å; R203-E400 IonicContact CZ-OE1 2.7Å; R203-E400 IonicContact CZ-OE2 3.21Å; R203-E400 IonicContact NE-OE1 3.18Å; R203-E400 PolarHBondContact NE-OE1 3.04Å; R203-E400 IonicContact NE-OE2 2.64Å; R203-E400 PolarHBondContact NE-OE2 3.04Å; R203-E400 IonicContact NH2-OE1 2.61Å; R203-E400 IonicContact NH2-OE2 2.8Å; R203-E400 PolarHBondContact NH2-OE2 2.8Å; G349-E400 PolarHBondContact O-N 3.11Å; L351-E400 PolarHBondContact O-N 3.25Å; E400-N402 PolarHBondContact O-N 3.16Å; E400-A403 WeakPolarHBondContact O-CB 3.31Å; E400-A403 PolarHBondContact O-N 3.06Å |
| 401 | R | 93.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 40% | 0.4 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -64.5 | -17.8 | 172.3 | 72.8 | -176.6 | -171.4 | -152.1 | -1.7 | 113.9 | G349 V399 | G349-R401 WeakPolarHBondContact O-CB 3.39Å; G349-R401 VanDerWaalsContact O-CG 3.31Å; G349-R401 WeakPolarHBondContact O-CG 3.14Å; G349-R401 PolarHBondContact O-N 3.36Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 HydrophobicContact CG2-CG 3.71Å; V399-R401 PolarHBondContact O-N 3.22Å |
| 402 | N | 95.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -105 | 20.8 | -178.6 | -156.2 | 36.1 | 0 | 0 | 0 | 112.5 | L377 D378 S398 V399 E400 V404 N405 M406 | L377-N402 PolarHBondContact O-ND2 3.3Å; D378-N402 PolarHBondContact O-ND2 2.93Å; S398-N402 PolarHBondContact OG-ND2 3.4Å; V399-N402 HydrophobicContact CG2-CB 4.02Å; V399-N402 WeakPolarHBondContact O-CA 3.28Å; V399-N402 WeakPolarHBondContact O-CB 3.18Å; V399-N402 PolarHBondContact O-N 3.26Å; E400-N402 PolarHBondContact O-N 3.16Å; N402-V404 VanDerWaalsContact C-N 3.26Å; N402-V404 PolarHBondContact O-N 2.9Å; N402-N405 PolarHBondContact O-N 3.18Å; N402-N405 WeakPolarHBondContact OD1-CB 3.5Å; N402-N405 PolarHBondContact OD1-ND2 2.86Å; N402-N405 PolarHBondContact OD1-OD1 2.99Å; N402-M406 PolarHBondContact O-N 3.12Å |
| 403 | A | 95.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.6 | -36.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L353 E400 M406 Y407 | L353-A403 HydrophobicContact CD2-CB 3.67Å; E400-A403 WeakPolarHBondContact O-CB 3.31Å; E400-A403 PolarHBondContact O-N 3.06Å; A403-M406 WeakPolarHBondContact O-CB 3.24Å; A403-M406 PolarHBondContact O-N 3.17Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.27Å |
| 404 | V | 95.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 34.9 Ų | 34.9 | 54% | 0.539 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.7 | -55 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | N402 M406 Y407 E408 | N402-V404 VanDerWaalsContact C-N 3.26Å; N402-V404 PolarHBondContact O-N 2.9Å; V404-M406 PolarHBondContact O-N 3.41Å; V404-M406 VanDerWaalsContact O-N 3.13Å; V404-Y407 WeakPolarHBondContact O-CA 3.37Å; V404-Y407 WeakPolarHBondContact O-CB 3.14Å; V404-Y407 PolarHBondContact O-N 2.93Å; V404-E408 PolarHBondContact O-N 2.99Å |
| 405 | N | 96.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.2 | -29.3 | 178 | -64.7 | 39.3 | 0 | 0 | 0 | 113 | L377 V379 N402 Y407 E408 A409 | L377-N405 HydrophobicContact CB-CB 4.18Å; L377-N405 WeakPolarHBondContact O-CB 3.48Å; L377-N405 PolarHBondContact O-ND2 3.23Å; V379-N405 HydrophobicContact CG1-CB 4.36Å; N402-N405 PolarHBondContact O-N 3.18Å; N402-N405 WeakPolarHBondContact OD1-CB 3.5Å; N402-N405 PolarHBondContact OD1-ND2 2.86Å; N402-N405 PolarHBondContact OD1-OD1 2.99Å; N405-Y407 VanDerWaalsContact C-N 3.35Å; N405-E408 PolarHBondContact O-N 3.14Å; N405-A409 WeakPolarHBondContact O-CB 3.07Å; N405-A409 PolarHBondContact O-N 3.01Å |
| 406 | M | 96.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.9 | -31.7 | 174.2 | -59.7 | 178 | 67 | 0 | 0 | 112.7 | L353 L355 V379 V396 N402 A403 V404 R410 | L353-M406 HydrophobicContact CB-SD 4.11Å; L353-M406 HydrophobicContact CD2-SD 3.95Å; L353-M406 HydrophobicContact CG-SD 4.24Å; L353-M406 WeakPolarHBondContact O-CE 3.46Å; L355-M406 HydrophobicContact CB-CE 3.79Å; L355-M406 HydrophobicContact CD2-CB 4.39Å; L355-M406 WeakPolarHBondContact CD2-O 3.26Å; V379-M406 HydrophobicContact CG1-CG 3.97Å; V396-M406 HydrophobicContact CB-CE 4.26Å; V396-M406 HydrophobicContact CG1-CB 4.11Å; V396-M406 HydrophobicContact CG1-CE 4.12Å; V396-M406 HydrophobicContact CG1-CG 4.09Å; V396-M406 VanDerWaalsContact O-CE 3.23Å; V396-M406 WeakPolarHBondContact O-CE 3.27Å; N402-M406 PolarHBondContact O-N 3.12Å; A403-M406 WeakPolarHBondContact O-CB 3.24Å; A403-M406 PolarHBondContact O-N 3.17Å; V404-M406 PolarHBondContact O-N 3.41Å; V404-M406 VanDerWaalsContact O-N 3.13Å; M406-R410 PolarHBondContact O-N 3.22Å |
| 407 | Y | 95.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.9 | -32.2 | 172.1 | -64.3 | -74 | 0 | 0 | 0 | 112.2 | P192 E196 L355 A403 V404 N405 R410 R411 | P192-Y407 HydrophobicContact CB-CD1 4.28Å; P192-Y407 HydrophobicContact CB-CE1 4.31Å; E196-Y407 HydrophobicContact CB-CE2 4.01Å; E196-Y407 HydrophobicContact CG-CE2 4.07Å; E196-Y407 WeakPolarHBondContact OE2-CE2 3.49Å; E196-Y407 PolarHBondContact OE2-OH 3.21Å; L355-Y407 HydrophobicContact CD1-CE1 3.92Å; L355-Y407 HydrophobicContact CD2-CD1 3.88Å; L355-Y407 HydrophobicContact CD2-CE1 4.02Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.27Å; V404-Y407 WeakPolarHBondContact O-CA 3.37Å; V404-Y407 WeakPolarHBondContact O-CB 3.14Å; V404-Y407 PolarHBondContact O-N 2.93Å; N405-Y407 VanDerWaalsContact C-N 3.35Å; Y407-R410 WeakPolarHBondContact O-CB 3.12Å; Y407-R410 PolarHBondContact O-N 2.95Å; Y407-R411 WeakPolarHBondContact O-CG 3.21Å; Y407-R411 PolarHBondContact O-N 3.49Å |
| 408 | E | 94.3 | Very high | 87.4 | Confident | 87 Ų | 87 | 46.6 Ų | 46.6 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 171.9 | -67.1 | 175.3 | 167.3 | 0 | 0 | 111.1 | L377 V404 N405 R410 R411 F412 | L377-E408 HydrophobicContact CD1-CB 4.2Å; V404-E408 PolarHBondContact O-N 2.99Å; N405-E408 PolarHBondContact O-N 3.14Å; E408-R410 PolarHBondContact O-N 3.46Å; E408-R411 WeakPolarHBondContact O-CA 3.5Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.69Å; E408-F412 PolarHBondContact O-N 2.82Å |
| 409 | A | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.9 | -36.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | L373 L377 V379 I381 N405 L413 | L373-A409 HydrophobicContact CD2-CB 4.31Å; L373-A409 HydrophobicContact CG-CB 4.5Å; L377-A409 HydrophobicContact CD1-CB 3.8Å; V379-A409 HydrophobicContact CG2-CB 4.23Å; I381-A409 HydrophobicContact CD1-CB 4.32Å; N405-A409 WeakPolarHBondContact O-CB 3.07Å; N405-A409 PolarHBondContact O-N 3.01Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 2.94Å; A409-L413 WeakPolarHBondContact O-CG 3.49Å; A409-L413 PolarHBondContact O-N 3.29Å |
| 410 | R | 93.3 | Very high | 81.8 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 172.2 | 175.3 | 177.4 | -174.7 | -86.3 | 6 | 112.8 | N134 L355 F357 M406 Y407 E408 L414 | N134-R410 PolarHBondContact O-NH2 3.49Å; N134-R410 PolarHBondContact OD1-NH1 2.88Å; N134-R410 PolarHBondContact OD1-NH2 2.86Å; L355-R410 HydrophobicContact CD2-CB 4.35Å; F357-R410 HydrophobicContact CD1-CB 4.18Å; F357-R410 HydrophobicContact CD1-CG 3.88Å; F357-R410 HydrophobicContact CD2-CG 4.14Å; F357-R410 HydrophobicContact CE1-CB 3.6Å; F357-R410 HydrophobicContact CE1-CG 3.66Å; F357-R410 HydrophobicContact CE2-CG 3.94Å; F357-R410 HydrophobicContact CG-CG 4.12Å; F357-R410 HydrophobicContact CZ-CB 3.82Å; F357-R410 HydrophobicContact CZ-CG 3.69Å; M406-R410 PolarHBondContact O-N 3.22Å; Y407-R410 WeakPolarHBondContact O-CB 3.12Å; Y407-R410 PolarHBondContact O-N 2.95Å; E408-R410 PolarHBondContact O-N 3.46Å; R410-L414 HydrophobicContact CG-CD1 3.73Å; R410-L414 HydrophobicContact CG-CG 4.33Å; R410-L414 WeakPolarHBondContact O-CB 3.31Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.27Å; R410-L414 VanDerWaalsContact O-N 3.13Å |
| 411 | R | 90.6 | Very high | 78.8 | Confident | 139 Ų | 139 | 63.6 Ų | 63.6 | 53% | 0.525 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 178.5 | -71.8 | -172 | 65.5 | 144.5 | 4.8 | 110.7 | Y407 E408 L414 G415 L416 | Y407-R411 WeakPolarHBondContact O-CG 3.21Å; Y407-R411 PolarHBondContact O-N 3.49Å; E408-R411 WeakPolarHBondContact O-CA 3.5Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.69Å; R411-L414 PolarHBondContact O-N 2.92Å; R411-G415 PolarHBondContact O-N 2.65Å; R411-L416 HydrophobicContact CB-CB 4.45Å; R411-L416 PolarHBondContact NE-O 2.75Å; R411-L416 PolarHBondContact NH2-O 2.79Å; R411-L416 PolarHBondContact O-N 2.79Å |
| 412 | F | 90.4 | Very high | 75.6 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.5 | -54.8 | 176.2 | -171.5 | -80.5 | 0 | 0 | 0 | 111.2 | C369 L373 E408 L414 G415 E417 | C369-F412 WeakPolarHBondContact SG-CE1 3.29Å; C369-F412 WeakPolarHBondContact SG-CZ 3.09Å; L373-F412 HydrophobicContact CD1-CB 4.09Å; L373-F412 HydrophobicContact CD1-CD1 4.03Å; L373-F412 HydrophobicContact CD1-CD2 4.25Å; L373-F412 HydrophobicContact CD1-CG 3.84Å; L373-F412 HydrophobicContact CD2-CB 4.25Å; L373-F412 HydrophobicContact CD2-CD1 3.66Å; L373-F412 HydrophobicContact CD2-CE1 4.39Å; L373-F412 HydrophobicContact CD2-CG 4.13Å; L373-F412 HydrophobicContact CG-CD1 4.44Å; E408-F412 PolarHBondContact O-N 2.82Å; F412-L414 PolarHBondContact O-N 3.42Å; F412-L414 VanDerWaalsContact O-N 3.09Å; F412-G415 PolarHBondContact O-N 2.94Å; F412-E417 WeakPolarHBondContact CD2-OE1 3.37Å; F412-E417 WeakPolarHBondContact CD2-OE2 3.28Å |
| 413 | L | 90.1 | Very high | 72.5 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -18.3 | -179.4 | -71.9 | 174.9 | 0 | 0 | 0 | 114.6 | F357 I359 V365 L373 I381 I383 V394 A409 | F357-L413 HydrophobicContact CZ-CB 4.17Å; F357-L413 HydrophobicContact CZ-CD1 4.04Å; I359-L413 WeakPolarHBondContact CD1-O 3.43Å; V365-L413 HydrophobicContact CB-CD2 4.42Å; V365-L413 HydrophobicContact CG1-CD2 3.71Å; V365-L413 HydrophobicContact CG2-CD2 4.2Å; L373-L413 HydrophobicContact CD2-CD1 4.47Å; L373-L413 HydrophobicContact CD2-CD2 4.09Å; L373-L413 HydrophobicContact CD2-CG 3.9Å; I381-L413 HydrophobicContact CD1-CD1 4.26Å; I381-L413 HydrophobicContact CG2-CD1 3.98Å; I383-L413 HydrophobicContact CD1-CD2 4.33Å; V394-L413 HydrophobicContact CG1-CD1 3.86Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 2.94Å; A409-L413 WeakPolarHBondContact O-CG 3.49Å; A409-L413 PolarHBondContact O-N 3.29Å |
| 414 | L | 86.9 | Confident | 69.3 | Low | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.8 | 175.8 | -68.1 | 177.6 | 0 | 0 | 0 | 113.4 | F357 I359 R410 R411 F412 L416 | F357-L414 HydrophobicContact CD2-CD1 4.33Å; F357-L414 HydrophobicContact CD2-CD2 4.21Å; F357-L414 HydrophobicContact CD2-CG 4.39Å; F357-L414 HydrophobicContact CE2-CD1 4.29Å; F357-L414 HydrophobicContact CE2-CD2 3.94Å; F357-L414 HydrophobicContact CE2-CG 3.94Å; I359-L414 HydrophobicContact CB-CD2 4.08Å; I359-L414 HydrophobicContact CG1-CD2 3.98Å; R410-L414 HydrophobicContact CG-CD1 3.73Å; R410-L414 HydrophobicContact CG-CG 4.33Å; R410-L414 WeakPolarHBondContact O-CB 3.31Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.27Å; R410-L414 VanDerWaalsContact O-N 3.13Å; R411-L414 PolarHBondContact O-N 2.92Å; F412-L414 PolarHBondContact O-N 3.42Å; F412-L414 VanDerWaalsContact O-N 3.09Å; L414-L416 HydrophobicContact CB-CD1 3.88Å; L414-L416 HydrophobicContact CB-CG 3.8Å; L414-L416 HydrophobicContact CD1-CD1 4.07Å; L414-L416 PolarHBondContact O-N 2.8Å |
| 415 | G | 78.1 | Confident | 66.1 | Low | 60 Ų | 60 | 74 Ų | 74 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 22 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R411 F412 E417 | R411-G415 PolarHBondContact O-N 2.65Å; F412-G415 PolarHBondContact O-N 2.94Å; G415-E417 PolarHBondContact O-N 3.27Å; G415-E417 VanDerWaalsContact O-N 3.07Å |
| 416 | L | 72.2 | Confident | 63 | Low | 83 Ų | 83 | 78.5 Ų | 78.5 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -86.1 | 38.3 | -178.2 | -59.9 | 176.3 | 0 | 0 | 0 | 112 | R411 L414 | R411-L416 HydrophobicContact CB-CB 4.45Å; R411-L416 PolarHBondContact NE-O 2.75Å; R411-L416 PolarHBondContact NH2-O 2.79Å; R411-L416 PolarHBondContact O-N 2.79Å; L414-L416 HydrophobicContact CB-CD1 3.88Å; L414-L416 HydrophobicContact CB-CG 3.8Å; L414-L416 HydrophobicContact CD1-CD1 4.07Å; L414-L416 PolarHBondContact O-N 2.8Å | ||
| 417 | E | 52.8 | Low | 59.6 | Low | 100 Ų | 100 | 84.1 Ų | 84.1 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | trans | -95.3 | 123.3 | -180 | -57.8 | -136.9 | 112 | 0 | 0 | 109.7 | F412 G415 | F412-E417 WeakPolarHBondContact CD2-OE1 3.37Å; F412-E417 WeakPolarHBondContact CD2-OE2 3.28Å; G415-E417 PolarHBondContact O-N 3.27Å; G415-E417 VanDerWaalsContact O-N 3.07Å | ||
| 418 | S | 38.6 | Very low | 56.6 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -72.1 | 128.4 | 164.1 | 46.9 | 0 | 0 | 0 | 0 | 108.9 | G420 | S418-G420 PolarHBondContact O-N 2.79Š| ||
| 419 | N | 35.9 | Very low | 53.3 | Low | 176 Ų | 176 | 92.1 Ų | 92.1 | 94% | 0.941 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -33.7 | 117.4 | 176.6 | -68.4 | -4.7 | 0 | 0 | 0 | 112.7 | ||
| 420 | G | 37.7 | Very low | 50.2 | Low | 74 Ų | 74 | 99.9 Ų | 99.9 | 76% | 0.763 | 62% | 0.622 | S | S | * | * | trans | 172.4 | -23.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | S418 | S418-G420 PolarHBondContact O-N 2.79Š| ||
| 421 | V | 30.6 | Very low | 46.9 | Very low | 119 Ų | 119 | 107 Ų | 107 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | trans | -120.8 | 88.4 | -177 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 422 | S | 27.6 | Very low | 44.3 | Very low | 105 Ų | 105 | 105.7 Ų | 105.7 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -75.7 | 127.8 | 162.4 | -57 | 0 | 0 | 0 | 0 | 109.5 | S424 | S422-S424 PolarHBondContact O-N 2.93Å; S422-S424 PolarHBondContact O-OG 2.72Å | ||
| 423 | C | 29.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -62.3 | 97.8 | 172.7 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 424 | S | 28.5 | Very low | 38.1 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -132.4 | 143.4 | 173.3 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | S422 | S422-S424 PolarHBondContact O-N 2.93Å; S422-S424 PolarHBondContact O-OG 2.72Å | ||
| 425 | S | 28.2 | Very low | 35.3 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 151.2 | -163.6 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 426 | P | 32.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | trans | -66.8 | 138 | -177.1 | 28 | -35.5 | 0 | 0 | 0 | 112.2 | ||||
| 427 | S | 24.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -135.3 | 134.9 | 165.7 | -73.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 428 | L | 32.3 | Very low | 29.5 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 98% | 0.979 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 129.5 | -169.2 | -68.2 | 164.2 | 0 | 0 | 0 | 112.1 | ||||
| 429 | A | 25.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -149.9 | 133.5 | 156 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 430 | L | 28.8 | Very low | 29 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -100.2 | 145.4 | 173.7 | -77.1 | 147.2 | 0 | 0 | 0 | 109.6 | ||||
| 431 | N | 25 | Very low | 28.6 | Very low | 161 Ų | 161 | 124 Ų | 124 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -168.1 | 151.9 | 122.8 | -95.1 | -27.6 | 0 | 0 | 0 | 112.1 | |||||
| 432 | P | 34.8 | Very low | 28.7 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -120 | 149.2 | -170 | 39.6 | -27.3 | 0 | 0 | 0 | 115.4 | ||||
| 433 | T | 24 | Very low | 29.1 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -143.5 | 121.4 | 160.2 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 434 | T | 27.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 105.9 | 148.2 | 56.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 435 | N | 27.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | 76.8 | 95.2 | 124.4 | -57.7 | -4.9 | 0 | 0 | 0 | 121.3 | |||||
| 436 | G | 26 | Very low | 31.2 | Very low | 64 Ų | 64 | 115.3 Ų | 115.3 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | 177.2 | 124.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S438 | G436-S438 PolarHBondContact O-N 3.13Š| ||
| 437 | P | 29.5 | Very low | 32 | Very low | 143 Ų | 143 | 112.8 Ų | 112.8 | 93% | 0.929 | 69% | 0.694 | S | S | * | * | trans | -84.5 | 110.4 | -174.5 | 31.4 | -33.1 | 0 | 0 | 0 | 112.8 | ||||
| 438 | S | 24.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | trans | -126.4 | 137.7 | 168 | 60.9 | 0 | 0 | 0 | 0 | 111 | G436 S440 | G436-S438 PolarHBondContact O-N 3.13Å; S438-S440 PolarHBondContact O-N 3.37Å; S438-S440 VanDerWaalsContact O-N 3.11Å | ||
| 439 | P | 34.2 | Very low | 34.2 | Very low | 134 Ų | 134 | 102.4 Ų | 102.4 | 87% | 0.87 | 63% | 0.63 | S | S | * | * | trans | -90.1 | 62.6 | -170.5 | 35.8 | -36.8 | 0 | 0 | 0 | 113.2 | ||||
| 440 | S | 30.5 | Very low | 35.5 | Very low | 91 Ų | 91 | 97.9 Ų | 97.9 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | trans | -96.1 | 89.5 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | S438 | S438-S440 PolarHBondContact O-N 3.37Å; S438-S440 VanDerWaalsContact O-N 3.11Å | ||
| 441 | L | 29.6 | Very low | 36.4 | Very low | 140 Ų | 140 | 92.9 Ų | 92.9 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | trans | -125.8 | 94.3 | 159.7 | -76.3 | 178.4 | 0 | 0 | 0 | 109.2 | ||||
| 442 | I | 33.3 | Very low | 37.4 | Very low | 159 Ų | 159 | 87.4 Ų | 87.4 | 82% | 0.815 | 54% | 0.542 | S | S | * | . | trans | -82.4 | 116 | 173.7 | -60.7 | 173.4 | 0 | 0 | 0 | 107.6 | ||||
| 443 | C | 35 | Very low | 37.8 | Very low | 58 Ų | 58 | 84 Ų | 84 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | -90.4 | 132.6 | 169.1 | -57 | 0 | 0 | 0 | 0 | 109.1 | V445 | C443-V445 HydrophobicContact CB-CG2 3.71Å; C443-V445 PolarHBondContact O-N 3.29Å | ||
| 444 | P | 38.3 | Very low | 38.6 | Very low | 124 Ų | 124 | 81.1 Ų | 81.1 | 81% | 0.805 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -71.2 | 100.6 | 173.7 | 29.3 | -33.2 | 0 | 0 | 0 | 109.3 | ||
| 445 | V | 48.7 | Very low | 39.3 | Very low | 34 Ų | 34 | 79.1 Ų | 79.1 | 21% | 0.206 | 50% | 0.504 | C | S | . | . | trans | -138.3 | -16.4 | -176.9 | -164.6 | 0 | 0 | 0 | 0 | 112 | C443 I449 | C443-V445 HydrophobicContact CB-CG2 3.71Å; C443-V445 PolarHBondContact O-N 3.29Å; V445-I449 HydrophobicContact CG1-CD1 3.8Å; V445-I449 HydrophobicContact CG1-CG1 4.19Å; V445-I449 VanDerWaalsContact O-CB 3.3Å; V445-I449 WeakPolarHBondContact O-CB 3.36Å; V445-I449 WeakPolarHBondContact O-CD1 3.2Å; V445-I449 VanDerWaalsContact O-CG1 3.25Å; V445-I449 WeakPolarHBondContact O-CG1 3.5Å; V445-I449 PolarHBondContact O-N 2.84Å; V445-I449 VanDerWaalsContact O-N 3.11Å | ||
| 446 | G | 43.2 | Very low | 39.7 | Very low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D378 D448 I449 L450 | D378-G446 WeakPolarHBondContact OD1-CA 3.39Å; D378-G446 WeakPolarHBondContact OD2-CA 2.76Å; D378-G446 PolarHBondContact OD2-N 3.39Å; G446-D448 VanDerWaalsContact C-N 3.3Å; G446-D448 PolarHBondContact O-N 3.12Å; G446-I449 CarbonylContact O-C 3.57Å; G446-I449 WeakPolarHBondContact O-CA 3.24Å; G446-I449 WeakPolarHBondContact O-CB 3.33Å; G446-I449 PolarHBondContact O-N 2.95Å; G446-I449 VanDerWaalsContact O-N 3.15Å; G446-L450 WeakPolarHBondContact O-CB 3.32Å; G446-L450 VanDerWaalsContact O-CG 3.27Å; G446-L450 WeakPolarHBondContact O-CG 3.15Å; G446-L450 PolarHBondContact O-N 3.1Å |
| 447 | L | 48.8 | Very low | 40.4 | Very low | 77 Ų | 77 | 74.1 Ų | 74.1 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | -177.1 | -164.5 | 69.7 | 0 | 0 | 0 | 111.4 | D378 L450 T451 | D378-L447 PolarHBondContact OD1-N 2.91Å; L447-L450 PolarHBondContact O-N 2.88Å; L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.33Å; L447-T451 PolarHBondContact O-N 3.39Å; L447-T451 PolarHBondContact O-OG1 2.85Å |
| 448 | D | 50.4 | Low | 40.6 | Very low | 82 Ų | 82 | 72.8 Ų | 72.8 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 176.3 | -121.3 | 22.7 | 0 | 0 | 0 | 112 | R301 G446 S452 | R301-D448 IonicContact CZ-OD1 3.18Å; R301-D448 IonicContact CZ-OD2 3.22Å; R301-D448 IonicContact NH1-OD1 3.96Å; R301-D448 PolarHBondContact NH1-OD1 2.8Å; R301-D448 IonicContact NH1-OD2 2.65Å; R301-D448 PolarHBondContact NH1-OD2 3.26Å; R301-D448 PolarHBondContact NH2-O 3.27Å; R301-D448 IonicContact NH2-OD1 2.66Å; R301-D448 PolarHBondContact NH2-OD1 2.73Å; R301-D448 IonicContact NH2-OD2 3.19Å; G446-D448 VanDerWaalsContact C-N 3.3Å; G446-D448 PolarHBondContact O-N 3.12Å; D448-S452 WeakPolarHBondContact O-CB 3.44Å; D448-S452 PolarHBondContact O-N 3Å |
| 449 | I | 53.7 | Low | 40.9 | Very low | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 172.6 | -80.2 | 173 | 0 | 0 | 0 | 111.1 | F297 N305 V399 V445 G446 S452 A453 | F297-I449 HydrophobicContact CD1-CG2 4.09Å; F297-I449 HydrophobicContact CD2-CG2 3.6Å; F297-I449 VanDerWaalsContact CD2-O 3.23Å; F297-I449 WeakPolarHBondContact CD2-O 3.45Å; F297-I449 HydrophobicContact CE1-CG2 3.71Å; F297-I449 HydrophobicContact CE2-CB 4.44Å; F297-I449 HydrophobicContact CE2-CG2 3.19Å; F297-I449 WeakPolarHBondContact CE2-O 3.36Å; F297-I449 HydrophobicContact CG-CG2 4.05Å; F297-I449 HydrophobicContact CZ-CG2 3.25Å; N305-I449 HydrophobicContact CB-CD1 4.48Å; V399-I449 HydrophobicContact CG1-CG2 4.09Å; V445-I449 HydrophobicContact CG1-CD1 3.8Å; V445-I449 HydrophobicContact CG1-CG1 4.19Å; V445-I449 VanDerWaalsContact O-CB 3.3Å; V445-I449 WeakPolarHBondContact O-CB 3.36Å; V445-I449 WeakPolarHBondContact O-CD1 3.2Å; V445-I449 VanDerWaalsContact O-CG1 3.25Å; V445-I449 WeakPolarHBondContact O-CG1 3.5Å; V445-I449 PolarHBondContact O-N 2.84Å; V445-I449 VanDerWaalsContact O-N 3.11Å; G446-I449 CarbonylContact O-C 3.57Å; G446-I449 WeakPolarHBondContact O-CA 3.24Å; G446-I449 WeakPolarHBondContact O-CB 3.33Å; G446-I449 PolarHBondContact O-N 2.95Å; G446-I449 VanDerWaalsContact O-N 3.15Å; I449-S452 CarbonylContact O-C 3.57Å; I449-S452 PolarHBondContact O-N 3.1Å; I449-A453 PolarHBondContact O-N 3.29Å |
| 450 | L | 52.1 | Low | 40.9 | Very low | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.042 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 177.3 | -72.2 | 169.5 | 0 | 0 | 0 | 111.9 | F297 F380 G446 L447 A453 | F297-L450 HydrophobicContact CE2-CD2 4.41Å; F380-L450 HydrophobicContact CB-CD1 4.46Å; G446-L450 WeakPolarHBondContact O-CB 3.32Å; G446-L450 VanDerWaalsContact O-CG 3.27Å; G446-L450 WeakPolarHBondContact O-CG 3.15Å; G446-L450 PolarHBondContact O-N 3.1Å; L447-L450 PolarHBondContact O-N 2.88Å; L450-A453 WeakPolarHBondContact O-CB 3.25Å; L450-A453 PolarHBondContact O-N 3.06Å; L450-A453 VanDerWaalsContact O-N 3.11Å |
| 451 | T | 47.9 | Very low | 40.7 | Very low | 59 Ų | 59 | 75.9 Ų | 75.9 | 36% | 0.362 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 173.3 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L447 A453 G454 L457 | L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.33Å; L447-T451 PolarHBondContact O-N 3.39Å; L447-T451 PolarHBondContact O-OG1 2.85Å; T451-A453 PolarHBondContact O-N 2.88Å; T451-G454 PolarHBondContact O-N 2.92Å; T451-L457 WeakPolarHBondContact OG1-CD1 3.42Å |
| 452 | S | 44.8 | Very low | 40.7 | Very low | 45 Ų | 45 | 79 Ų | 79 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1 | 174.9 | -77 | 0 | 0 | 0 | 0 | 114.8 | R301 D448 I449 G454 | R301-S452 VanDerWaalsContact CG-OG 3.25Å; R301-S452 WeakPolarHBondContact CG-OG 3.24Å; R301-S452 PolarHBondContact NE-OG 3.41Å; D448-S452 WeakPolarHBondContact O-CB 3.44Å; D448-S452 PolarHBondContact O-N 3Å; I449-S452 CarbonylContact O-C 3.57Å; I449-S452 PolarHBondContact O-N 3.1Å; S452-G454 VanDerWaalsContact C-N 3.31Å |
| 453 | A | 45 | Very low | 40.4 | Very low | 40 Ų | 40 | 79.8 Ų | 79.8 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | F297 I449 L450 T451 L455 | F297-A453 HydrophobicContact CD2-CB 3.67Å; F297-A453 HydrophobicContact CE2-CB 3.78Å; I449-A453 PolarHBondContact O-N 3.29Å; L450-A453 WeakPolarHBondContact O-CB 3.25Å; L450-A453 PolarHBondContact O-N 3.06Å; L450-A453 VanDerWaalsContact O-N 3.11Å; T451-A453 PolarHBondContact O-N 2.88Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 HydrophobicContact CB-CD1 3.99Å; A453-L455 HydrophobicContact CB-CG 3.93Å; A453-L455 PolarHBondContact O-N 2.85Å |
| 454 | G | 39.2 | Very low | 40 | Very low | 70 Ų | 70 | 80.2 Ų | 80.2 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 20.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | T451 S452 G456 | T451-G454 PolarHBondContact O-N 2.92Å; S452-G454 VanDerWaalsContact C-N 3.31Å; G454-G456 PolarHBondContact O-N 3.22Å |
| 455 | L | 43.7 | Very low | 39.4 | Very low | 74 Ų | 74 | 79.3 Ų | 79.3 | 39% | 0.387 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -80.8 | 12.4 | -173.5 | -70.4 | 176.7 | 0 | 0 | 0 | 115.3 | K397 A453 | K397-L455 HydrophobicContact CD-CD1 4.31Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 HydrophobicContact CB-CD1 3.99Å; A453-L455 HydrophobicContact CB-CG 3.93Å; A453-L455 PolarHBondContact O-N 2.85Å |
| 456 | G | 34 | Very low | 38.3 | Very low | 54 Ų | 54 | 84.4 Ų | 84.4 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 93.8 | 32.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G454 S458 | G454-G456 PolarHBondContact O-N 3.22Å; G456-S458 PolarHBondContact O-N 3.49Å |
| 457 | L | 42.7 | Very low | 37.6 | Very low | 66 Ų | 66 | 88.5 Ų | 88.5 | 35% | 0.346 | 58% | 0.576 | S | S | . | * | trans | -82.7 | 8.2 | 175.5 | -65.4 | 177 | 0 | 0 | 0 | 114.3 | F380 T451 N459 | F380-L457 HydrophobicContact CD2-CD2 4.49Å; F380-L457 HydrophobicContact CE2-CD2 4.31Å; T451-L457 WeakPolarHBondContact OG1-CD1 3.42Å; L457-N459 PolarHBondContact O-N 2.94Å | ||
| 458 | S | 33.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 91.7 Ų | 91.7 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 11.5 | -171.8 | -43.8 | 0 | 0 | 0 | 0 | 116.4 | G456 | G456-S458 PolarHBondContact O-N 3.49Š|
| 459 | N | 31 | Very low | 35.1 | Very low | 150 Ų | 150 | 96.5 Ų | 96.5 | 80% | 0.802 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 0.8 | -167 | -91.7 | 97.5 | 0 | 0 | 0 | 115.9 | L457 G461 | L457-N459 PolarHBondContact O-N 2.94Å; N459-G461 PolarHBondContact O-N 2.65Å |
| 460 | L | 34.3 | Very low | 33.6 | Very low | 159 Ų | 159 | 102 Ų | 102 | 83% | 0.832 | 66% | 0.657 | S | S | * | * | trans | -81.2 | 93.3 | 164.2 | -83.3 | 165.5 | 0 | 0 | 0 | 108.9 | F462 | L460-F462 PolarHBondContact O-N 3.04Š| ||
| 461 | G | 26.6 | Very low | 32.4 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | trans | -71.2 | 115.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | N459 L463 | N459-G461 PolarHBondContact O-N 2.65Å; G461-L463 PolarHBondContact O-N 2.66Å | ||
| 462 | F | 28.1 | Very low | 31.7 | Very low | 207 Ų | 207 | 112.5 Ų | 112.5 | 91% | 0.908 | 72% | 0.717 | S | S | * | * | trans | -74.7 | 108.7 | 173.4 | -133.7 | -89.5 | 0 | 0 | 0 | 109.6 | L460 G464 | L460-F462 PolarHBondContact O-N 3.04Å; F462-G464 PolarHBondContact O-N 2.78Å | ||
| 463 | L | 27.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 114.1 Ų | 114.1 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -73.1 | 108.2 | 168.9 | -79.6 | 170.5 | 0 | 0 | 0 | 108.8 | G461 | G461-L463 PolarHBondContact O-N 2.66Š| ||
| 464 | G | 25.4 | Very low | 29.7 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F462 | F462-G464 PolarHBondContact O-N 2.78Š|
| 465 | A | 26.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 135.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 466 | T | 26.5 | Very low | 28.4 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 145.6 | -174.4 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 467 | A | 27.2 | Very low | 28.4 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 159.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 468 | T | 23.1 | Very low | 27.6 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -121.2 | 133.1 | 156.7 | 46.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 469 | H | 24.4 | Very low | 27.2 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -108.8 | 136.5 | 168.7 | -85.4 | -88 | 0 | 0 | 0 | 108.6 | ||||
| 470 | S | 22.1 | Very low | 27 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -152.7 | 134 | 145.4 | 44.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 471 | L | 27.6 | Very low | 26.7 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -103.2 | 157 | 163.4 | -88.5 | 168.5 | 0 | 0 | 0 | 105.6 | ||||
| 472 | P | 32.2 | Very low | 26.7 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -152 | 156.4 | 67.7 | 39.3 | -18.3 | 0 | 0 | 0 | 119.9 | |||||
| 473 | A | 23.1 | Very low | 26.6 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | 18 | 135.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 474 | S | 24.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 66.8 | 120.2 | 130.8 | 66.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 475 | A | 23.8 | Very low | 26.5 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | -155.6 | 131.2 | 123.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 476 | T | 32.7 | Very low | 26.5 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -114.9 | 147.5 | 151.1 | 54.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 477 | P | 34.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -150 | 168.3 | 83.3 | 38.1 | -18.7 | 0 | 0 | 0 | 116.8 | |||||
| 478 | N | 25.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 17.5 | 152.2 | 142.5 | -48.5 | -16.7 | 0 | 0 | 0 | 121.9 | ||||
| 479 | T | 25.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | cis | -125.4 | -107.6 | 5.9 | -39.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 480 | V | 26.1 | Very low | 28 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | cis | -152.5 | 105.2 | -3.4 | -166.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 481 | L | 27.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 127 Ų | 127 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 61.3 | 164.7 | 165 | -65 | 170.2 | 0 | 0 | 0 | 116.6 | ||||
| 482 | N | 27.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | cis | -151.5 | 153.1 | 4.8 | -144.9 | -23.3 | 0 | 0 | 0 | 112.6 | ||||
| 483 | S | 24.6 | Very low | 27.9 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 38.4 | 154.6 | 145.3 | -67.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 484 | L | 24.6 | Very low | 28.8 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | cis | -175.4 | 168.4 | -32.9 | -115.2 | 169.7 | 0 | 0 | 0 | 108.9 | ||||
| 485 | N | 27.5 | Very low | 29.3 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 149.1 | -176.1 | -78.8 | -33.8 | 0 | 0 | 0 | 116.5 | ||||
| 486 | S | 25.8 | Very low | 30.7 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 167.8 | 168.3 | 133.9 | -76.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 487 | A | 25.1 | Very low | 30.4 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | cis | -176.4 | 134.6 | -44 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 488 | L | 26.1 | Very low | 30.3 | Very low | 178 Ų | 178 | 131 Ų | 131 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | 66.4 | 164.3 | 162.1 | -61.4 | 169.1 | 0 | 0 | 0 | 120.7 | ||||
| 489 | S | 30.7 | Very low | 31.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -94.5 | -164.8 | -175.1 | -27.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 490 | P | 51 | Low | 31.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -150.5 | -176.6 | 21 | 46.1 | -24.5 | 0 | 0 | 0 | 120 | ||||
| 491 | L | 27.4 | Very low | 33.2 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 65.5 | 122.7 | 143.1 | -126.3 | 77.5 | 0 | 0 | 0 | 124.2 | ||||
| 492 | Q | 26.4 | Very low | 33.7 | Very low | 188 Ų | 188 | 127 Ų | 127 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | -173.3 | 173.8 | 117.7 | -104.5 | 179.8 | 1.3 | 0 | 0 | 114 | |||||
| 493 | T | 25.8 | Very low | 35.1 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -127.3 | 176.5 | -170.7 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 494 | P | 41.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -144.5 | -163 | 51.5 | 39.3 | -15 | 0 | 0 | 0 | 116.5 | |||||
| 495 | S | 35.6 | Very low | 36.1 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -128.6 | 176.1 | -166.9 | 64.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 496 | P | 53.3 | Low | 36.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -129.8 | -153.4 | 83.6 | 37.5 | -21.8 | 0 | 0 | 0 | 112.4 | |||||
| 497 | S | 25.6 | Very low | 37.6 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -155.9 | -164.6 | 8.2 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 498 | T | 32.2 | Very low | 37.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -150 | -179.9 | -173.3 | 27.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 499 | P | 53.8 | Low | 37.9 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -119.7 | 157.4 | 6.1 | 22.6 | 1.7 | 0 | 0 | 0 | 115.4 | ||||
| 500 | T | 31.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 67.4 | 149.5 | 62.2 | 45.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 501 | P | 53.6 | Low | 36.7 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | cis | -134.4 | -167.2 | 19.7 | 43.7 | -24.9 | 0 | 0 | 0 | 118.2 | ||||
| 502 | A | 37.9 | Very low | 36.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -130.1 | -168.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 503 | P | 56 | Low | 37.6 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | -161.1 | 156.8 | 99.7 | 40.1 | -19.7 | 0 | 0 | 0 | 121.8 | |||||
| 504 | S | 38.7 | Very low | 37.8 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 73.2 | 175.5 | 148.9 | 82.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 505 | M | 31.1 | Very low | 37 | Very low | 167 Ų | 167 | 127 Ų | 127 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | cis | -152.1 | -169.5 | 4.8 | -129.2 | -143.2 | -164.6 | 0 | 0 | 113 | ||||
| 506 | W | 29.8 | Very low | 36.5 | Very low | 239 Ų | 239 | 130.4 Ų | 130.4 | 91% | 0.905 | 78% | 0.777 | S | S | * | * | trans | -143.4 | -153.3 | -177.6 | -42.8 | -46.6 | 0 | 0 | 0 | 113.2 | ||||
| 507 | P | 56.7 | Low | 35.1 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -138.5 | 178.4 | -25.6 | 37.2 | -18.5 | 0 | 0 | 0 | 116.4 | ||||
| 508 | S | 28.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 163 | 171.2 | 128.7 | -71.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 509 | S | 28.4 | Very low | 35 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -151 | -171.4 | -147.4 | -50.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 510 | L | 29.1 | Very low | 33.6 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | 89 | 148.8 | 173.1 | -52 | 171.1 | 0 | 0 | 0 | 115.6 | ||||
| 511 | T | 26.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | cis | -149.7 | -179.6 | 4.7 | -166.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 512 | S | 29.8 | Very low | 32.1 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -123.9 | 173.5 | 171.7 | -148.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 513 | P | 44.3 | Very low | 32 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -154 | 179.3 | 63.9 | 42.8 | -21.2 | 0 | 0 | 0 | 118.6 | |||||
| 514 | Q | 29.6 | Very low | 31.3 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 23.2 | 151.8 | 144.3 | -69 | -150.4 | 65.3 | 0 | 0 | 123.3 | ||||
| 515 | S | 25.4 | Very low | 30.6 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | cis | -161.6 | -135.1 | -7.9 | -87.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 516 | F | 25.4 | Very low | 30.5 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | cis | -164 | -150.9 | 4.2 | -132 | -34.2 | 0 | 0 | 0 | 113.2 | ||||
| 517 | T | 23.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -138.7 | 165.2 | -162.5 | 49 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 518 | S | 29.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -177.5 | -158.1 | -15.2 | -80.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 519 | Q | 25 | Very low | 29.4 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 77.4 | 159.6 | 172.5 | -57.8 | -171 | -19.7 | 0 | 0 | 117.4 | ||||
| 520 | L | 25.2 | Very low | 29.5 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | -121.5 | 150.4 | -10.3 | -82 | 96.1 | 0 | 0 | 0 | 109.7 | ||||
| 521 | V | 27.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 67.1 | 128.1 | 67.8 | -157.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 522 | M | 26.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 111.3 | 136.8 | 159.1 | -73.2 | -49.1 | -177 | 0 | 0 | 121.8 | ||||
| 523 | H | 35.6 | Very low | 29.6 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | trans | -90.5 | 160.8 | 172.4 | -112.8 | -74.8 | 0 | 0 | 0 | 111.2 | ||||
| 524 | P | 40.9 | Very low | 29 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -139.8 | 139.3 | 105.5 | 31.2 | -14.2 | 0 | 0 | 0 | 112.9 | |||||
| 525 | V | 24.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 134 Ų | 134 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | 86.6 | 146.5 | 83.2 | 176 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 526 | T | 28.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | -54.9 | -175.4 | -178.9 | 64.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 527 | Q | 31.9 | Very low | 29 | Very low | 177 Ų | 177 | 129.6 Ų | 129.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | cis | -160.6 | 178.7 | 10.4 | -137.5 | 177.8 | 108.2 | 0 | 0 | 106.7 | ||||
| 528 | A | 32.9 | Very low | 29.1 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | cis | -139.7 | -144.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 529 | T | 28.3 | Very low | 28.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | cis | -147.9 | 172.1 | 11.7 | 45.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 530 | L | 30.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -150.6 | 140.6 | -7.8 | -127.4 | 173 | 0 | 0 | 0 | 108.2 | ||||
| 531 | S | 29.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | 46.1 | 148.1 | 147.4 | 60 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 532 | S | 27.1 | Very low | 28.7 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | 177.5 | 150.2 | -16.9 | -98.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 533 | I | 30.5 | Very low | 28.7 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 66.7 | 138.7 | 139.5 | -67.3 | 169.2 | 0 | 0 | 0 | 118.9 | ||||
| 534 | L | 31 | Very low | 28.3 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | cis | -167.2 | 172.7 | -14.6 | -109.6 | -178.6 | 0 | 0 | 0 | 110.8 | ||||
| 535 | M | 27.2 | Very low | 27.6 | Very low | 174 Ų | 174 | 129 Ų | 129 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 169.6 | 161.9 | -58.7 | -145.9 | -58.5 | 0 | 0 | 118.9 | ||||
| 536 | S | 27.1 | Very low | 28 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -179.3 | 152.2 | -43.1 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 537 | G | 26.1 | Very low | 28.1 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | 98.4 | 111.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 538 | V | 25.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | 42.5 | 120.4 | 118.7 | 179.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 539 | Q | 26.3 | Very low | 29.7 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | 42.7 | 139.9 | 143.4 | -61.3 | 179.4 | -5.3 | 0 | 0 | 123.9 | ||||
| 540 | G | 24 | Very low | 30.4 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 153.4 | 96.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 541 | Y | 24 | Very low | 30.2 | Very low | 220 Ų | 220 | 124 Ų | 124 | 86% | 0.863 | 76% | 0.756 | S | S | * | * | 79.6 | 118.8 | 69.9 | -116.1 | -102.7 | 0 | 0 | 0 | 117.4 | |||||
| 542 | T | 24.5 | Very low | 30.1 | Very low | 102 Ų | 102 | 128 Ų | 128 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | 49.5 | 121.2 | 154.6 | 48.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 543 | H | 27.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | 169.9 | 145.6 | 111.6 | -100.5 | -90 | 0 | 0 | 0 | 109.2 | |||||
| 544 | S | 25.8 | Very low | 30.7 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | cis | -167.4 | 148.9 | -23.2 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 545 | T | 27.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -3.3 | 144.7 | 149 | 39.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 546 | P | 33.3 | Very low | 30.6 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | -138.8 | 162.8 | 59.7 | 38.9 | -22.4 | 0 | 0 | 0 | 119 | |||||
| 547 | S | 29 | Very low | 30.5 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -117 | -153.7 | 166.2 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 548 | P | 59.3 | Low | 30.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | -88.9 | -172.8 | -118.5 | 42 | -32.4 | 0 | 0 | 0 | 114.4 | |||||
| 549 | P | 40.9 | Very low | 31.4 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -133.1 | 167 | 104.4 | 37 | -28.2 | 0 | 0 | 0 | 115 | |||||
| 550 | P | 42.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -126.8 | -176.8 | -162.3 | 43.1 | -28.1 | 0 | 0 | 0 | 115.4 | ||||
| 551 | G | 24.7 | Very low | 31.5 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | 127.7 | 146.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 552 | L | 27.7 | Very low | 31.8 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | cis | -144.7 | 161.9 | -1.1 | -71.4 | 171.4 | 0 | 0 | 0 | 110.2 | ||||
| 553 | A | 28.8 | Very low | 32.5 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -115.3 | 174.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 554 | P | 42.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -129.8 | -130.6 | 3.4 | 40.3 | -19.8 | 0 | 0 | 0 | 111.6 | ||||
| 555 | I | 27.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 82 | 108.8 | 175.6 | -57.1 | 163 | 0 | 0 | 0 | 112.6 | ||||
| 556 | D | 27.6 | Very low | 31.9 | Very low | 142 Ų | 142 | 128 Ų | 128 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | 81.9 | 118.7 | 43.9 | -169.4 | 18.7 | 0 | 0 | 0 | 114.4 | ||||
| 557 | K | 25.6 | Very low | 31.6 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 174.5 | 109 | 153.6 | -99.6 | 156.5 | -173.7 | 176.4 | 0 | 114.2 | ||||
| 558 | Q | 32.5 | Very low | 31.4 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -75.1 | 166.4 | 125.7 | -83.2 | -82.6 | -31.4 | 0 | 0 | 108 | |||||
| 559 | P | 38.6 | Very low | 29.8 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -148.2 | -172.4 | 29.2 | 43.5 | -22.7 | 0 | 0 | 0 | 117.8 | ||||
| 560 | N | 26.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 65.3 | 144.4 | 147.6 | -79.7 | -0.2 | 0 | 0 | 0 | 122.5 | ||||
| 561 | G | 24.8 | Very low | 28.5 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 165.2 | 82.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 562 | V | 30 | Very low | 28.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -128 | 140.2 | 160.9 | -142.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 563 | P | 39.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -129.4 | 154 | 87.9 | 10.8 | 12.3 | 0 | 0 | 0 | 111.7 | |||||
| 564 | E | 22.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | cis | 81.6 | 113.6 | 45 | -169.6 | 179.6 | -146.7 | 0 | 0 | 114.9 | ||||
| 565 | C | 22.1 | Very low | 28.4 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -169.5 | 156.4 | 142.1 | -114.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 566 | T | 24.6 | Very low | 28.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -115.2 | 160.6 | -164.3 | 54.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 567 | L | 24.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | -165.7 | 175.2 | 134.6 | -109 | 166.4 | 0 | 0 | 0 | 114.4 | ||||
| 568 | N | 25.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -118 | 164.5 | -151.7 | -83.4 | -32.2 | 0 | 0 | 0 | 117.4 | ||||
| 569 | G | 26 | Very low | 28.4 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 132.1 | 113.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 570 | H | 27.9 | Very low | 27.7 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | cis | 66.2 | 111.1 | 33.1 | -137.1 | -80.3 | 0 | 0 | 0 | 111.4 | ||||
| 571 | V | 27.3 | Very low | 27.7 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | -166.5 | 132.2 | 78.7 | 156 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 572 | K | 25.3 | Very low | 27.8 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | trans | 50.6 | 115.1 | 147.8 | -65.1 | 177.4 | -177.7 | 179.2 | 0 | 124.8 | ||||
| 573 | H | 31.3 | Very low | 27.6 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | -26 | 167 | 127.6 | -89.9 | -54.4 | 0 | 0 | 0 | 118.6 | Y576 | H573-Y576 AromaticContact CE1-CE2 3.7Å; H573-Y576 AromaticContact NE2-CE2 3.72Å | |||
| 574 | P | 39.9 | Very low | 27.1 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -137.5 | 179.6 | 42.2 | 40.7 | -22.1 | 0 | 0 | 0 | 116.3 | ||||
| 575 | G | 26.2 | Very low | 27.2 | Very low | 56 Ų | 56 | 133.3 Ų | 133.3 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | cis | -166.6 | 144.5 | -5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 576 | Y | 27.3 | Very low | 27.4 | Very low | 210 Ų | 210 | 135.3 Ų | 135.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | 43.4 | 128.3 | 83 | -70.6 | -76.2 | 0 | 0 | 0 | 115.3 | H573 | H573-Y576 AromaticContact CE1-CE2 3.7Å; H573-Y576 AromaticContact NE2-CE2 3.72Å | |||
| 577 | G | 25.4 | Very low | 27.6 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | 157.4 | 159.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 578 | R | 27.2 | Very low | 27.7 | Very low | 227 Ų | 227 | 132.8 Ų | 132.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | 47.5 | 124.4 | 159.9 | -82.7 | -170.3 | 161.7 | -135.7 | -1.7 | 122.2 | ||||
| 579 | L | 31.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 54.7 | 128.3 | 127.3 | -55.2 | 172.2 | 0 | 0 | 0 | 122 | |||||
| 580 | A | 25.4 | Very low | 27.6 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -163.5 | 175.4 | 135.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 581 | T | 26.6 | Very low | 27.9 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -134.4 | 144.6 | -168.3 | 51.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 582 | A | 27 | Very low | 27.9 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 65.7 | 129.8 | 151 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 583 | S | 25.3 | Very low | 28.6 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 148.4 | 139.3 | 106.4 | -157.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 584 | L | 28 | Very low | 28.2 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 54.6 | 118.8 | 151.7 | -76.3 | 165.6 | 0 | 0 | 0 | 124.2 | ||||
| 585 | A | 25.7 | Very low | 27.6 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 64.3 | 164.7 | 134 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 586 | E | 26.2 | Very low | 27.6 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -143.8 | 169.2 | 6.5 | -83.6 | -161.7 | 115.7 | 0 | 0 | 108.2 | ||||
| 587 | T | 28.2 | Very low | 27.5 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 63% | 0.632 | 78% | 0.782 | S | S | * | * | cis | -172.9 | 162.3 | -13.6 | 34.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 588 | V | 27.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 70.8 | 140 | 148.2 | 159.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 589 | L | 25.5 | Very low | 27.4 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -124.6 | 159.9 | 21.4 | -80.4 | 163.3 | 0 | 0 | 0 | 114.7 | ||||
| 590 | S | 25.7 | Very low | 27 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -123.4 | 160.2 | 138.3 | 63.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 591 | P | 33.9 | Very low | 26.9 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -147.9 | 174.1 | 98.7 | 40.6 | -24.9 | 0 | 0 | 0 | 115.5 | |||||
| 592 | T | 27.7 | Very low | 26.8 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -84.3 | -170.5 | 162.1 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 593 | P | 38.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -131.3 | -176.1 | -8.2 | 43.1 | -28.1 | 0 | 0 | 0 | 113.7 | ||||
| 594 | C | 23.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | -165.6 | 151.3 | 119.8 | -158.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 595 | D | 26 | Very low | 27.2 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -102.1 | 156.6 | 171.3 | -172.1 | 10 | 0 | 0 | 0 | 110 | ||||
| 596 | S | 26.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -168.1 | 127.2 | 171.5 | -77.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 597 | A | 25.8 | Very low | 27.1 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | -112.9 | -163.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 598 | Q | 25.7 | Very low | 27.6 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 72 | 146.9 | 170.2 | -72.7 | 179.2 | -88.4 | 0 | 0 | 116.6 | ||||
| 599 | E | 23.4 | Very low | 27.7 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -164.4 | 165.5 | -18.7 | -135.4 | 178.7 | 132.6 | 0 | 0 | 110.9 | ||||
| 600 | A | 24.8 | Very low | 27.7 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 60.3 | 170.7 | 151 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 601 | S | 22.6 | Very low | 27.9 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -164.7 | 121.1 | -46.9 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 602 | G | 25 | Very low | 27.7 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 63.2 | -174.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 603 | H | 26.4 | Very low | 27.7 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | cis | -166 | 133 | -31.8 | -133.5 | -70.2 | 0 | 0 | 0 | 111.8 | ||||
| 604 | S | 23.7 | Very low | 27.2 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 70.6 | 173.9 | 163.3 | -36.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 605 | P | 38.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -138.8 | 170 | -1.9 | 42.8 | -25.1 | 0 | 0 | 0 | 118.5 | ||||
| 606 | S | 23.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | 60.1 | 147.1 | 140.2 | 60.8 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 607 | E | 26.7 | Very low | 29.2 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -58 | -177.6 | 158.4 | -65.8 | -173.7 | 97.5 | 0 | 0 | 114.3 | ||||
| 608 | P | 39.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -158.4 | 170.4 | 27.3 | 45.7 | -22.5 | 0 | 0 | 0 | 123.8 | ||||
| 609 | L | 28.4 | Very low | 29.8 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 54.8 | 150.7 | 138.7 | -69.4 | 167.7 | 0 | 0 | 0 | 126.8 | ||||
| 610 | S | 26.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 96 | 153.4 | 149.6 | -160.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 611 | S | 29.5 | Very low | 30.6 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | -170.7 | 162.2 | -54.6 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 612 | K | 29.3 | Very low | 30.8 | Very low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 162.1 | 166.7 | -57.5 | -179.3 | 178.4 | 178.3 | 0 | 118.3 | ||||
| 613 | S | 27.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -150.7 | -178.6 | 13.1 | 57.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 614 | N | 28.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -103 | -163.3 | -179.7 | -62.6 | -1 | 0 | 0 | 0 | 112.3 | ||||
| 615 | P | 55.3 | Low | 32.1 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | cis | -149.9 | -158.8 | 7.7 | 48 | -24.9 | 0 | 0 | 0 | 119.6 | ||||
| 616 | D | 28.3 | Very low | 31.7 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 72.6 | 169.5 | 159.5 | -61.5 | 3.3 | 0 | 0 | 0 | 123 | ||||
| 617 | E | 35.7 | Very low | 32 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | -167 | 160.8 | -66.6 | -177.4 | 161.3 | -151.5 | 0 | 0 | 110.3 | |||||
| 618 | G | 27.7 | Very low | 33.1 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 163.7 | 152.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 619 | S | 36.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -138.8 | 172.9 | -170.9 | 60 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 620 | D | 29 | Very low | 32.4 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -172.4 | 175.6 | 117.1 | -107.4 | 29.2 | 0 | 0 | 0 | 118.3 | |||||
| 621 | T | 35.4 | Very low | 33 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -78 | 178.9 | -154.9 | 66.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 622 | F | 27.1 | Very low | 32.9 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | cis | -154.5 | -164.5 | 18.3 | -155.4 | -164.1 | 0 | 0 | 0 | 109.1 | ||||
| 623 | V | 32.3 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | cis | -151.8 | 168.9 | 15.7 | -159.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 624 | E | 35 | Very low | 32.8 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | -85.4 | -179.5 | 160.1 | -129.2 | -146.7 | 126.1 | 0 | 0 | 111.3 | G626 | E624-G626 WeakPolarHBondContact OE1-CA 3.28Š| ||
| 625 | V | 36 | Very low | 32.8 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | cis | -141.6 | 167.6 | 28.7 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 626 | G | 28.6 | Very low | 31.4 | Very low | 50 Ų | 50 | 132 Ų | 132 | 52% | 0.515 | 76% | 0.76 | S | S | . | * | cis | 150.7 | 158.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E624 | E624-G626 WeakPolarHBondContact OE1-CA 3.28Š| ||
| 627 | M | 31.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 148.9 | 168 | -59.6 | -63.1 | 144.5 | 0 | 0 | 120.1 | ||||
| 628 | P | 48.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 125 Ų | 125 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | -141.5 | 144.4 | -51.8 | 36 | -19.1 | 0 | 0 | 0 | 115.3 | |||||
| 629 | R | 26.4 | Very low | 31.5 | Very low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | 164.4 | 105.6 | 129.7 | -91.1 | 165.8 | 176.3 | 157.2 | 0.5 | 114.4 | |||||
| 630 | S | 26.5 | Very low | 31 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 7.2 | 162.6 | 130.7 | -38.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 631 | P | 40.2 | Very low | 30.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | cis | -143.9 | 174.3 | -43.1 | 40 | -24.2 | 0 | 0 | 0 | 113.8 | ||||
| 632 | S | 25.6 | Very low | 30.8 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | 165.6 | 132.5 | 129.5 | -77.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 633 | H | 26.8 | Very low | 30.7 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | 33.3 | 117 | 158.7 | -50.4 | -66.1 | 0 | 0 | 0 | 120 | ||||
| 634 | S | 28.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | 83.3 | 141.4 | 24.3 | -159.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 635 | A | 27.4 | Very low | 30.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 161.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 636 | N | 26.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | cis | -164.9 | 167 | -43.9 | -103.1 | -2.9 | 0 | 0 | 0 | 107.3 | ||||
| 637 | G | 30.7 | Very low | 29.2 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -90.9 | 127.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 638 | S | 27 | Very low | 29 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -176.1 | 142.9 | 155.8 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 639 | E | 36.5 | Very low | 27.9 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -71.7 | 143.1 | 161.1 | -66.4 | 178.9 | 99.5 | 0 | 0 | 110.7 | ||||
| 640 | L | 26.1 | Very low | 27.8 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -170.2 | 135.2 | 153.1 | -109.1 | 167.6 | 0 | 0 | 0 | 111.3 | ||||
| 641 | K | 27 | Very low | 27.7 | Very low | 171 Ų | 171 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 41.3 | 111.7 | 158.8 | -71.8 | 171.9 | -176.7 | 174.4 | 0 | 117.6 | ||||
| 642 | Q | 32.6 | Very low | 27 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | 42.4 | 88.4 | 58.2 | -162.8 | -170.4 | 32.3 | 0 | 0 | 113.6 | |||||
| 643 | M | 25.7 | Very low | 27 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -151.3 | 76.1 | 164.5 | -131 | -178.6 | 78.7 | 0 | 0 | 115 | ||||
| 644 | L | 26.5 | Very low | 27.2 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -123.3 | 140.8 | 132.9 | -87.4 | 172.6 | 0 | 0 | 0 | 107 | S646 | L644-S646 PolarHBondContact O-N 3.1Š|
| 645 | A | 28.5 | Very low | 27.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -13.8 | 116.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 646 | S | 22.5 | Very low | 27.4 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | cis | 59.8 | 132.1 | 25.3 | -104.6 | 0 | 0 | 0 | 0 | 114.6 | L644 | L644-S646 PolarHBondContact O-N 3.1Š| ||
| 647 | C | 21.9 | Very low | 27.5 | Very low | 118 Ų | 118 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 67.7 | 135.4 | -167.3 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 648 | K | 26.9 | Very low | 27.5 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | cis | -159.6 | 173.8 | 5.2 | -100.8 | 163 | -176.4 | 178 | 0 | 106.2 | ||||
| 649 | T | 25.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | cis | -156.7 | 174 | 10.7 | -10.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 650 | S | 24.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 160.8 | 164.8 | 52.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 651 | S | 24.3 | Very low | 27.2 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 72.9 | 87.6 | 140.7 | -173.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 652 | G | 25.3 | Very low | 27.3 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | 81.6 | 129.3 | 94.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 653 | K | 27.3 | Very low | 27.1 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -157.6 | 152.1 | 137.3 | -109.8 | 167.8 | -175.8 | 176.9 | 0 | 110.5 | ||||
| 654 | R | 30.6 | Very low | 27.4 | Very low | 229 Ų | 229 | 137.6 Ų | 137.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -88.8 | 161.2 | 173 | -53.5 | 179.3 | -175.3 | -172 | 0.2 | 108.3 | ||||
| 655 | Q | 31.2 | Very low | 27.6 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | cis | -141.5 | -155.4 | 25.2 | -135 | 127.8 | -96.6 | 0 | 0 | 108.5 | ||||
| 656 | A | 27.8 | Very low | 27.5 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | cis | -167.7 | 175.1 | 2.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 657 | V | 29.4 | Very low | 27.8 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | cis | -168.5 | 130.7 | -27 | 140.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 658 | E | 29.9 | Very low | 28.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 59.1 | 158.7 | 163.8 | -67.8 | 179.2 | 139.4 | 0 | 0 | 118.9 | ||||
| 659 | L | 29.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | cis | -162.9 | 175.6 | -16.8 | -115.3 | 169.8 | 0 | 0 | 0 | 111.3 | ||||
| 660 | L | 29 | Very low | 28.7 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 78 | 114.8 | 152.8 | -72.7 | 154.8 | 0 | 0 | 0 | 124.5 | ||||
| 661 | Q | 24.8 | Very low | 28.8 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | 40.8 | 136 | 125.6 | -108.1 | 72.3 | 16 | 0 | 0 | 126.7 | |||||
| 662 | G | 29.3 | Very low | 28.8 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 91.7 | 157.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 663 | T | 27.8 | Very low | 28.9 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | cis | -161.3 | 137.3 | -11 | 22.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 664 | K | 32.6 | Very low | 29 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 46.3 | 141.8 | 100.9 | -76.6 | -173.7 | 179.1 | -177.8 | 0 | 117.6 | |||||
| 665 | N | 31.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | cis | -171.9 | 156.9 | -18 | -139.7 | 46.6 | 0 | 0 | 0 | 112.6 | H667 | N665-H667 PolarHBondContact ND2-CE1 3.17Å; N665-H667 PolarHBondContact ND2-NE2 3.17Å | ||
| 666 | S | 26.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -165.2 | 154.7 | 165.5 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 667 | H | 28.6 | Very low | 28.5 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | 94.9 | 136.3 | -4.8 | -43.3 | -37.9 | 0 | 0 | 0 | 117.1 | N665 | N665-H667 PolarHBondContact ND2-CE1 3.17Å; N665-H667 PolarHBondContact ND2-NE2 3.17Å | ||
| 668 | L | 33.4 | Very low | 28.3 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | cis | -160.7 | -167.2 | -5 | -119.1 | 175.3 | 0 | 0 | 0 | 114.2 | ||||
| 669 | H | 28.4 | Very low | 28.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -65.5 | 178.9 | 175.9 | -93.5 | -122.8 | 0 | 0 | 0 | 117 | ||||
| 670 | S | 30.2 | Very low | 27.9 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | cis | -175.9 | 173.4 | -28.3 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 671 | D | 26.5 | Very low | 27.8 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 83.8 | 150 | 153.4 | -66.7 | -62 | 0 | 0 | 0 | 125.6 | ||||
| 672 | C | 24.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 81.8 | 132.8 | 154.3 | -85.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 673 | L | 28 | Very low | 27.7 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 43.4 | 134.3 | 145.6 | -58.5 | 176.5 | 0 | 0 | 0 | 122.4 | ||||
| 674 | L | 30.3 | Very low | 27.7 | Very low | 172 Ų | 172 | 131 Ų | 131 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -148.9 | 163.6 | 146.9 | -88.4 | -169.4 | 0 | 0 | 0 | 112.8 | ||||
| 675 | S | 24.6 | Very low | 28.4 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -145.4 | 151.1 | 171.3 | -58.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 676 | D | 24.9 | Very low | 28.4 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 176.9 | 159.4 | -56.1 | -37.3 | 0 | 0 | 0 | 120.3 | ||||
| 677 | A | 29.2 | Very low | 28.5 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | 65.2 | 116.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 678 | E | 24.1 | Very low | 28.7 | Very low | 188 Ų | 188 | 126.9 Ų | 126.9 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | cis | 85.2 | 153.7 | 43.5 | -68.2 | -134 | 98.9 | 0 | 0 | 115.3 | ||||
| 679 | S | 27 | Very low | 28.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 120.3 | -167.4 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 680 | S | 24.8 | Very low | 29 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | 96.8 | 139.6 | 24.2 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 681 | S | 26.4 | Very low | 29.3 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 65.8 | 156 | 176.6 | 76.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 682 | S | 25.9 | Very low | 29.7 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | -173.8 | 135 | -33.6 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 683 | D | 25.8 | Very low | 30 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 55.7 | 171.2 | 179.6 | -60.1 | -39.5 | 0 | 0 | 0 | 114.1 | ||||
| 684 | G | 28 | Very low | 30 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -156.2 | -177.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 685 | P | 47.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -115.3 | 178.5 | -156.4 | 42.5 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 686 | V | 31.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 72.7 | 148.8 | 153.2 | 157 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 687 | A | 29.6 | Very low | 30.2 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -172.2 | 178.7 | -32 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 688 | D | 32.5 | Very low | 30 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | 81.3 | 164.7 | 141.8 | -161.4 | 20.1 | 0 | 0 | 0 | 119.8 | ||||
| 689 | K | 36.8 | Very low | 30.1 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | trans | 74.2 | 134.1 | 179.9 | -35.5 | -53.9 | 174 | -163.1 | 0 | 115 | ||||
| 690 | R | 32.1 | Very low | 30 | Very low | 243 Ų | 243 | 133.7 Ų | 133.7 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | cis | -160.7 | 159.5 | -13.6 | -133 | 172.3 | 179.5 | 165.6 | -2.6 | 109.5 | ||||
| 691 | A | 35.3 | Very low | 29.9 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -112.6 | 167 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 692 | P | 36 | Very low | 29.9 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -128.2 | 150.9 | 121.1 | 35.5 | -26.4 | 0 | 0 | 0 | 111 | |||||
| 693 | G | 29.5 | Very low | 29.8 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 101 | 134.7 | 53.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 694 | S | 29.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | cis | -149.3 | 136.8 | 8.8 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 695 | E | 27.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 66% | 0.659 | 79% | 0.786 | S | S | * | * | 73.3 | 114.4 | 75.4 | -165.5 | 163.8 | -166.4 | 0 | 0 | 117.6 | |||||
| 696 | R | 29 | Very low | 28.7 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 30.6 | 133.8 | 154.6 | -62.1 | 173.5 | -163.9 | 138.3 | 13.5 | 122.7 | ||||
| 697 | A | 27.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | -145.1 | 153.1 | 126.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 698 | A | 24.6 | Very low | 28.5 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -160 | 116.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 699 | E | 26.8 | Very low | 28.5 | Very low | 180 Ų | 180 | 153 Ų | 153 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -158.3 | 136.2 | 167 | -111.2 | 161.3 | 173.8 | 0 | 0 | 106.1 | ||||
| 700 | R | 25.4 | Very low | 28.2 | Very low | 229 Ų | 229 | 150.9 Ų | 150.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | 57.2 | 133.4 | 56.3 | -56.9 | -167.1 | -169.1 | 99.3 | -3.6 | 111.9 | |||||
| 701 | A | 22.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | -146.3 | -168.5 | 14.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 702 | A | 25.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 67 | 126.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 703 | Q | 25.7 | Very low | 28.1 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | cis | 62.7 | 129.5 | 48.1 | -55.3 | -176.6 | -9.4 | 0 | 0 | 111.2 | ||||
| 704 | Q | 26.1 | Very low | 28 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | cis | -153.3 | 139 | 32.8 | -148.2 | -178.9 | -23.6 | 0 | 0 | 113.9 | ||||
| 705 | N | 26.2 | Very low | 27.9 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | 76.6 | 151.5 | 147.3 | -148.4 | 24.8 | 0 | 0 | 0 | 124.2 | ||||
| 706 | E | 25 | Very low | 28.3 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 53% | 0.533 | 77% | 0.772 | S | S | . | * | trans | 73 | 83.7 | 149.6 | -131.4 | 74 | -112.3 | 0 | 0 | 122.3 | ||||
| 707 | R | 27.6 | Very low | 28.3 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | 65.6 | 83.5 | 139.6 | -57.9 | -179.9 | -157.1 | -169.5 | 10.3 | 120.6 | ||||
| 708 | E | 28.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 150.9 | 145.7 | -74.6 | -163 | 108.3 | 0 | 0 | 112.7 | I710 | E708-I710 HydrophobicContact CB-CD1 4.15Å; E708-I710 HydrophobicContact CB-CG1 3.57Å | ||
| 709 | R | 31.4 | Very low | 29.8 | Very low | 256 Ų | 256 | 149.5 Ų | 149.5 | 97% | 0.966 | 76% | 0.758 | S | S | * | * | trans | -110.3 | 78.3 | 174.5 | -172.3 | 177.7 | 179.6 | 177.5 | -0.6 | 109.5 | ||||
| 710 | I | 30.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 57% | 0.574 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 138.2 | -154.8 | -53.8 | 173.9 | 0 | 0 | 0 | 114.2 | E708 L712 | E708-I710 HydrophobicContact CB-CD1 4.15Å; E708-I710 HydrophobicContact CB-CG1 3.57Å; I710-L712 HydrophobicContact CG2-CD2 4.17Å; I710-L712 HydrophobicContact CG2-CG 4.07Å | ||
| 711 | R | 46.5 | Very low | 31.6 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -68.8 | 127.1 | 163.4 | -75.9 | 173.9 | 162.9 | -176.9 | -4 | 110.4 | ||||
| 712 | L | 27.7 | Very low | 33.5 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -134 | 146.9 | 174.2 | -73.7 | 176.3 | 0 | 0 | 0 | 115.2 | I710 | I710-L712 HydrophobicContact CG2-CD2 4.17Å; I710-L712 HydrophobicContact CG2-CG 4.07Å | ||
| 713 | A | 27.6 | Very low | 35 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | trans | -77.7 | 178 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q715 | A713-Q715 PolarHBondContact O-N 3.4Š| ||
| 714 | P | 28.1 | Very low | 36.6 | Very low | 138 Ų | 138 | 142 Ų | 142 | 90% | 0.896 | 72% | 0.719 | S | S | * | * | trans | -63.6 | 88.1 | -179.8 | -23 | 35.6 | 0 | 0 | 0 | 113.7 | ||||
| 715 | Q | 27.7 | Very low | 38.5 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | trans | -78.3 | 144.6 | 177.6 | -91.4 | -70.3 | 2.4 | 0 | 0 | 112.7 | A713 S717 | A713-Q715 PolarHBondContact O-N 3.4Å; Q715-S717 PolarHBondContact O-N 2.91Å; Q715-S717 VanDerWaalsContact O-N 3.14Å | ||
| 716 | T | 33.8 | Very low | 40.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 66% | 0.656 | 68% | 0.676 | S | S | * | * | trans | -88.3 | 73.7 | -176.7 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | F718 A719 | T716-F718 PolarHBondContact O-N 3.23Å; T716-A719 PolarHBondContact O-N 3.34Å | ||
| 717 | S | 30.8 | Very low | 43 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 19 | -170.4 | -48.5 | 0 | 0 | 0 | 0 | 117.5 | Q715 | Q715-S717 PolarHBondContact O-N 2.91Å; Q715-S717 VanDerWaalsContact O-N 3.14Å |
| 718 | F | 38.5 | Very low | 45.3 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -3.5 | 178.1 | -81.9 | -80.6 | 0 | 0 | 0 | 114.3 | T716 N720 | T716-F718 PolarHBondContact O-N 3.23Å; F718-N720 VanDerWaalsContact C-N 3.3Å; F718-N720 PolarHBondContact O-N 3.48Å |
| 719 | A | 42.8 | Very low | 47.3 | Very low | 87 Ų | 87 | 122 Ų | 122 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -0.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T716 | T716-A719 PolarHBondContact O-N 3.34Š|
| 720 | N | 46.8 | Very low | 49.4 | Very low | 151 Ų | 151 | 113.8 Ų | 113.8 | 81% | 0.807 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.4 | 42.1 | -171.1 | -137.4 | -5.9 | 0 | 0 | 0 | 115.8 | F718 | F718-N720 VanDerWaalsContact C-N 3.3Å; F718-N720 PolarHBondContact O-N 3.48Å |
| 721 | M | 45.1 | Very low | 51.6 | Low | 86 Ų | 86 | 114.2 Ų | 114.2 | 42% | 0.424 | 60% | 0.602 | S | S | . | * | trans | -84.8 | 121 | 155.8 | -80.6 | -90.5 | 75.6 | 0 | 0 | 108.6 | D725 | M721-D725 HydrophobicContact CE-CB 4.43Å; M721-D725 WeakPolarHBondContact CE-OD2 3.37Å | ||
| 722 | Q | 61.5 | Low | 52.8 | Low | 146 Ų | 146 | 106.9 Ų | 106.9 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | trans | -64.5 | 141.9 | 170.9 | -70.3 | -175.5 | -10.3 | 0 | 0 | 110.3 | F724 D725 Y726 | Q722-F724 PolarHBondContact O-N 2.96Å; Q722-F724 VanDerWaalsContact O-N 3.16Å; Q722-D725 PolarHBondContact O-N 2.86Å; Q722-Y726 PolarHBondContact O-N 2.88Å; Q722-Y726 VanDerWaalsContact O-N 3.17Å | ||
| 723 | A | 56.8 | Low | 55 | Low | 81 Ų | 81 | 100.8 Ų | 100.8 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57 | -34.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y726 E727 | A723-Y726 PolarHBondContact O-N 2.96Å; A723-E727 PolarHBondContact O-N 3.28Å |
| 724 | F | 58.5 | Low | 57.1 | Low | 156 Ų | 156 | 100.4 Ų | 100.4 | 68% | 0.684 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.7 | -46.6 | 174.3 | -179 | -93.7 | 0 | 0 | 0 | 112.5 | Q722 Y726 E727 Q728 | Q722-F724 PolarHBondContact O-N 2.96Å; Q722-F724 VanDerWaalsContact O-N 3.16Å; F724-Y726 VanDerWaalsContact C-N 3.35Å; F724-E727 PolarHBondContact O-N 2.91Å; F724-Q728 WeakPolarHBondContact O-CB 3.29Å; F724-Q728 PolarHBondContact O-N 3.12Å |
| 725 | D | 67.8 | Low | 59.3 | Low | 50 Ų | 50 | 101.1 Ų | 101.1 | 27% | 0.267 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72 | -31.1 | -177 | -167.9 | 14.5 | 0 | 0 | 0 | 111.6 | M721 Q722 K729 | M721-D725 HydrophobicContact CE-CB 4.43Å; M721-D725 WeakPolarHBondContact CE-OD2 3.37Å; Q722-D725 PolarHBondContact O-N 2.86Å; D725-K729 WeakPolarHBondContact O-CB 3.5Å; D725-K729 VanDerWaalsContact O-CG 3.23Å; D725-K729 WeakPolarHBondContact O-CG 3.12Å; D725-K729 PolarHBondContact O-N 3.43Å; D725-K729 IonicContact OD1-NZ 3.79Å; D725-K729 PolarHBondContact OD1-NZ 2.79Å; D725-K729 IonicContact OD2-NZ 2.66Å; D725-K729 PolarHBondContact OD2-NZ 3.35Å |
| 726 | Y | 72.6 | Confident | 61.2 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 169.2 | -176.7 | -93.9 | 0 | 0 | 0 | 112.3 | Q722 A723 F724 K729 K730 L756 F758 | Q722-Y726 PolarHBondContact O-N 2.88Å; Q722-Y726 VanDerWaalsContact O-N 3.17Å; A723-Y726 PolarHBondContact O-N 2.96Å; F724-Y726 VanDerWaalsContact C-N 3.35Å; Y726-K729 PolarHBondContact O-N 3.44Å; Y726-K730 HydrophobicContact CE1-CD 4.48Å; Y726-K730 VanDerWaalsContact O-CB 3.28Å; Y726-K730 WeakPolarHBondContact O-CB 2.91Å; Y726-K730 PolarHBondContact O-N 3.39Å; Y726-L756 HydrophobicContact CD2-CD2 4.4Å; Y726-F758 HydrophobicContact CD1-CZ 4.27Å; Y726-F758 AromaticContact CD2-CZ 3.78Å; Y726-F758 HydrophobicContact CD2-CZ 3.78Å; Y726-F758 AromaticContact CE1-CE1 3.9Å; Y726-F758 HydrophobicContact CE1-CE1 3.9Å; Y726-F758 AromaticContact CE1-CZ 3.98Å; Y726-F758 HydrophobicContact CE1-CZ 3.98Å; Y726-F758 AromaticContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE2 4.28Å; Y726-F758 AromaticContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CE2-CZ 3.44Å; Y726-F758 VanDerWaalsContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CG-CZ 4.19Å; Y726-F758 AromaticContact CZ-CE1 3.48Å; Y726-F758 VanDerWaalsContact CZ-CE1 3.48Å; Y726-F758 AromaticContact CZ-CZ 3.56Å |
| 727 | E | 72.4 | Confident | 62.7 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.4 | -76.6 | -63.9 | 141 | 0 | 0 | 112.6 | A723 F724 K730 L731 | A723-E727 PolarHBondContact O-N 3.28Å; F724-E727 PolarHBondContact O-N 2.91Å; E727-K730 WeakPolarHBondContact O-CB 3.16Å; E727-K730 PolarHBondContact O-N 2.79Å; E727-K730 WeakPolarHBondContact OE1-CD 3.47Å; E727-K730 IonicContact OE1-NZ 2.75Å; E727-K730 PolarHBondContact OE1-NZ 3.34Å; E727-K730 WeakPolarHBondContact OE2-CD 3.03Å; E727-K730 IonicContact OE2-NZ 2.88Å; E727-K730 PolarHBondContact OE2-NZ 3.29Å; E727-L731 WeakPolarHBondContact O-CB 3.44Å; E727-L731 PolarHBondContact O-N 3.33Å |
| 728 | Q | 74.8 | Confident | 64.4 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.7 | -174.2 | 173.1 | -6.4 | 0 | 0 | 111.5 | F724 L731 L732 | F724-Q728 WeakPolarHBondContact O-CB 3.29Å; F724-Q728 PolarHBondContact O-N 3.12Å; Q728-L731 PolarHBondContact O-N 2.83Å; Q728-L732 WeakPolarHBondContact O-CG 3.3Å; Q728-L732 PolarHBondContact O-N 3.21Å |
| 729 | K | 72.5 | Confident | 65.6 | Low | 50 Ų | 50 | 100.2 Ų | 100.2 | 22% | 0.217 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174 | -75.5 | -179.1 | 179 | 87.4 | 0 | 112.4 | D725 Y726 L732 A733 W753 L756 F758 | D725-K729 WeakPolarHBondContact O-CB 3.5Å; D725-K729 VanDerWaalsContact O-CG 3.23Å; D725-K729 WeakPolarHBondContact O-CG 3.12Å; D725-K729 PolarHBondContact O-N 3.43Å; D725-K729 IonicContact OD1-NZ 3.79Å; D725-K729 PolarHBondContact OD1-NZ 2.79Å; D725-K729 IonicContact OD2-NZ 2.66Å; D725-K729 PolarHBondContact OD2-NZ 3.35Å; Y726-K729 PolarHBondContact O-N 3.44Å; K729-L732 PolarHBondContact O-N 2.8Å; K729-A733 WeakPolarHBondContact O-CB 3.38Å; K729-A733 PolarHBondContact O-N 2.91Å; K729-W753 HydrophobicContact CB-CZ3 3.88Å; K729-W753 HydrophobicContact CG-CZ3 4.16Å; K729-W753 WeakPolarHBondContact O-CZ3 3.2Å; K729-L756 HydrophobicContact CD-CD1 3.9Å; K729-F758 HydrophobicContact CB-CE2 3.94Å |
| 730 | K | 74.4 | Confident | 66.3 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.5 | 178.8 | 179.7 | 155.2 | -142.4 | 0 | 112.5 | Y726 E727 T734 F758 | Y726-K730 HydrophobicContact CE1-CD 4.48Å; Y726-K730 VanDerWaalsContact O-CB 3.28Å; Y726-K730 WeakPolarHBondContact O-CB 2.91Å; Y726-K730 PolarHBondContact O-N 3.39Å; E727-K730 WeakPolarHBondContact O-CB 3.16Å; E727-K730 PolarHBondContact O-N 2.79Å; E727-K730 WeakPolarHBondContact OE1-CD 3.47Å; E727-K730 IonicContact OE1-NZ 2.75Å; E727-K730 PolarHBondContact OE1-NZ 3.34Å; E727-K730 WeakPolarHBondContact OE2-CD 3.03Å; E727-K730 IonicContact OE2-NZ 2.88Å; E727-K730 PolarHBondContact OE2-NZ 3.29Å; K730-T734 WeakPolarHBondContact O-CB 3.48Å; K730-T734 PolarHBondContact O-N 3.08Å; K730-T734 PolarHBondContact O-OG1 3.5Å; K730-F758 HydrophobicContact CB-CD1 4.3Å; K730-F758 HydrophobicContact CB-CE1 3.5Å; K730-F758 HydrophobicContact CB-CE2 4.47Å; K730-F758 HydrophobicContact CB-CZ 3.61Å; K730-F758 HydrophobicContact CD-CE1 4.3Å; K730-F758 HydrophobicContact CG-CD1 4.37Å; K730-F758 HydrophobicContact CG-CE1 3.82Å; K730-F758 HydrophobicContact CG-CZ 4.43Å |
| 731 | L | 77.4 | Confident | 66.8 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 176.3 | -177.8 | 62.6 | 0 | 0 | 0 | 111.5 | E727 Q728 T734 K735 | E727-L731 WeakPolarHBondContact O-CB 3.44Å; E727-L731 PolarHBondContact O-N 3.33Å; Q728-L731 PolarHBondContact O-N 2.83Å; L731-T734 PolarHBondContact O-N 2.93Å; L731-K735 WeakPolarHBondContact O-CB 3.19Å; L731-K735 PolarHBondContact O-N 3.3Å |
| 732 | L | 71.8 | Confident | 67.3 | Low | 87 Ų | 87 | 103 Ų | 103 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.8 | -73 | 169.7 | 0 | 0 | 0 | 112.3 | Q728 K729 T734 K735 A736 W753 | Q728-L732 WeakPolarHBondContact O-CG 3.3Å; Q728-L732 PolarHBondContact O-N 3.21Å; K729-L732 PolarHBondContact O-N 2.8Å; L732-T734 VanDerWaalsContact C-N 3.34Å; L732-T734 PolarHBondContact O-N 2.88Å; L732-K735 PolarHBondContact O-N 2.64Å; L732-A736 WeakPolarHBondContact O-CB 3.25Å; L732-A736 PolarHBondContact O-N 2.8Å; L732-W753 HydrophobicContact CB-CH2 3.83Å |
| 733 | A | 73.8 | Confident | 66.9 | Low | 14 Ų | 14 | 103.1 Ų | 103.1 | 12% | 0.116 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K729 A736 M737 W753 F758 | K729-A733 WeakPolarHBondContact O-CB 3.38Å; K729-A733 PolarHBondContact O-N 2.91Å; A733-A736 PolarHBondContact O-N 2.64Å; A733-M737 WeakPolarHBondContact O-CG 3.22Å; A733-M737 PolarHBondContact O-N 2.7Å; A733-W753 HydrophobicContact CB-CE3 4.45Å; A733-F758 HydrophobicContact CB-CB 4.17Å; A733-F758 HydrophobicContact CB-CD2 4.4Å; A733-F758 HydrophobicContact CB-CG 4.34Å |
| 734 | T | 72.5 | Confident | 66.9 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | K730 L731 L732 A736 M737 L738 | K730-T734 WeakPolarHBondContact O-CB 3.48Å; K730-T734 PolarHBondContact O-N 3.08Å; K730-T734 PolarHBondContact O-OG1 3.5Å; L731-T734 PolarHBondContact O-N 2.93Å; L732-T734 VanDerWaalsContact C-N 3.34Å; L732-T734 PolarHBondContact O-N 2.88Å; T734-A736 VanDerWaalsContact C-N 3.32Å; T734-A736 PolarHBondContact O-N 2.77Å; T734-M737 PolarHBondContact O-N 2.8Å; T734-L738 HydrophobicContact CG2-CD1 4.35Å; T734-L738 WeakPolarHBondContact O-CG 3.34Å; T734-L738 PolarHBondContact O-N 2.81Å |
| 735 | K | 72.5 | Confident | 66.7 | Low | 153 Ų | 153 | 104.3 Ų | 104.3 | 67% | 0.665 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -34.8 | 176.8 | -170.3 | 173.4 | -177.4 | 176.1 | 0 | 112.4 | L731 L732 | L731-K735 WeakPolarHBondContact O-CB 3.19Å; L731-K735 PolarHBondContact O-N 3.3Å; L732-K735 PolarHBondContact O-N 2.64Å |
| 736 | A | 68.8 | Low | 65.9 | Low | 60 Ų | 60 | 109 Ų | 109 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.8 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L732 A733 T734 L738 K739 | L732-A736 WeakPolarHBondContact O-CB 3.25Å; L732-A736 PolarHBondContact O-N 2.8Å; A733-A736 PolarHBondContact O-N 2.64Å; T734-A736 VanDerWaalsContact C-N 3.32Å; T734-A736 PolarHBondContact O-N 2.77Å; A736-L738 VanDerWaalsContact C-N 3.28Å; A736-L738 PolarHBondContact O-N 2.89Å; A736-K739 PolarHBondContact O-N 3.14Å |
| 737 | M | 65.5 | Low | 64.9 | Low | 138 Ų | 138 | 111 Ų | 111 | 68% | 0.68 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.6 | -29.2 | 176.9 | -71.6 | -177.9 | 67.7 | 0 | 0 | 113.6 | A733 T734 | A733-M737 WeakPolarHBondContact O-CG 3.22Å; A733-M737 PolarHBondContact O-N 2.7Å; T734-M737 PolarHBondContact O-N 2.8Å |
| 738 | L | 65.1 | Low | 63.8 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.4 | -15.9 | 178.4 | -69.1 | 168.4 | 0 | 0 | 0 | 113.6 | T734 A736 K740 | T734-L738 HydrophobicContact CG2-CD1 4.35Å; T734-L738 WeakPolarHBondContact O-CG 3.34Å; T734-L738 PolarHBondContact O-N 2.81Å; A736-L738 VanDerWaalsContact C-N 3.28Å; A736-L738 PolarHBondContact O-N 2.89Å; L738-K740 PolarHBondContact O-N 3.43Å |
| 739 | K | 64.8 | Low | 62.6 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -83.6 | 92.9 | -179.7 | -168.6 | 177.7 | -177.2 | -177.5 | 0 | 111 | A736 | A736-K739 PolarHBondContact O-N 3.14Š|
| 740 | K | 56.6 | Low | 61.8 | Low | 183 Ų | 183 | 116.5 Ų | 116.5 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | trans | -43.8 | 136.5 | 174.2 | -67.2 | -175.8 | -179.9 | 179.8 | 0 | 111.4 | L738 | L738-K740 PolarHBondContact O-N 3.43Š| ||
| 741 | P | 56.8 | Low | 61 | Low | 102 Ų | 102 | 118.7 Ų | 118.7 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | trans | -69.6 | 144.9 | 175.4 | 29.8 | -34.1 | 0 | 0 | 0 | 110.9 | ||||
| 742 | V | 56.3 | Low | 60 | Low | 97 Ų | 97 | 117 Ų | 117 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | trans | -87.3 | 140.9 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 107 | T744 | V742-T744 PolarHBondContact O-N 2.84Å; V742-T744 VanDerWaalsContact O-N 3.07Å | ||
| 743 | V | 54.2 | Low | 59.4 | Low | 150 Ų | 150 | 116.8 Ų | 116.8 | 91% | 0.909 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -14.1 | -163.5 | 178.1 | 0 | 0 | 0 | 0 | 114 | ||
| 744 | T | 55.5 | Low | 58.5 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 2.1 | -170.3 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | V742 | V742-T744 PolarHBondContact O-N 2.84Å; V742-T744 VanDerWaalsContact O-N 3.07Å |
| 745 | E | 55 | Low | 57.9 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | trans | -120.7 | 126.4 | 179.9 | -72.2 | -172.9 | 151.1 | 0 | 0 | 113.3 | ||||
| 746 | V | 51.1 | Low | 57.5 | Low | 147 Ų | 147 | 112.9 Ų | 112.9 | 89% | 0.891 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 120.2 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 747 | R | 50.5 | Low | 57.1 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 50% | 0.502 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -96.5 | 123.5 | 178.2 | -66.5 | -176.3 | -178.2 | 153.9 | 6.9 | 111.7 | ||
| 748 | T | 49.6 | Very low | 56.9 | Low | 124 Ų | 124 | 108.3 Ų | 108.3 | 76% | 0.761 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -78 | 139.5 | 167.9 | 37.7 | 0 | 0 | 0 | 0 | 111.1 | T750 | T748-T750 PolarHBondContact O-N 3.13Š|
| 749 | P | 50.5 | Low | 56.2 | Low | 132 Ų | 132 | 104.7 Ų | 104.7 | 86% | 0.857 | 60% | 0.603 | S | S | * | * | trans | -79.2 | 115 | -179.9 | 30 | -33.3 | 0 | 0 | 0 | 111.9 | ||||
| 750 | T | 55.8 | Low | 55.6 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | trans | -80 | 139.4 | 175.4 | -33.2 | 0 | 0 | 0 | 0 | 111.6 | T748 T752 | T748-T750 PolarHBondContact O-N 3.13Å; T750-T752 WeakPolarHBondContact CG2-OG1 3.47Å; T750-T752 PolarHBondContact O-N 3Å | ||
| 751 | N | 56.4 | Low | 54.8 | Low | 128 Ų | 128 | 103 Ų | 103 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -72.2 | 12 | -175.6 | -157.5 | 39.6 | 0 | 0 | 0 | 115.2 | W753 S754 | N751-W753 PolarHBondContact O-N 2.88Å; N751-W753 VanDerWaalsContact O-N 3.07Å; N751-S754 PolarHBondContact O-N 3.16Å; N751-S754 PolarHBondContact O-OG 3.36Å; N751-S754 WeakPolarHBondContact OD1-CB 3.15Å; N751-S754 PolarHBondContact OD1-OG 3.21Å |
| 752 | T | 56.8 | Low | 54 | Low | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -62.5 | -17.3 | -172.4 | -43.8 | 0 | 0 | 0 | 0 | 114.5 | T750 | T750-T752 WeakPolarHBondContact CG2-OG1 3.47Å; T750-T752 PolarHBondContact O-N 3Å |
| 753 | W | 59.3 | Low | 53.5 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 31% | 0.314 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -120.4 | 4.2 | -170.4 | -45.2 | 106 | 0 | 0 | 0 | 114 | K729 L732 A733 N751 G755 L756 F758 | K729-W753 HydrophobicContact CB-CZ3 3.88Å; K729-W753 HydrophobicContact CG-CZ3 4.16Å; K729-W753 WeakPolarHBondContact O-CZ3 3.2Å; L732-W753 HydrophobicContact CB-CH2 3.83Å; A733-W753 HydrophobicContact CB-CE3 4.45Å; N751-W753 PolarHBondContact O-N 2.88Å; N751-W753 VanDerWaalsContact O-N 3.07Å; W753-G755 PolarHBondContact O-N 3.48Å; W753-L756 PolarHBondContact O-N 2.82Å; W753-F758 HydrophobicContact CE3-CD2 4.28Å |
| 754 | S | 55.3 | Low | 53 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 49% | 0.49 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | 133.9 | -177.8 | 61 | 0 | 0 | 0 | 0 | 112 | N751 L756 | N751-S754 PolarHBondContact O-N 3.16Å; N751-S754 PolarHBondContact O-OG 3.36Å; N751-S754 WeakPolarHBondContact OD1-CB 3.15Å; N751-S754 PolarHBondContact OD1-OG 3.21Å; S754-L756 PolarHBondContact O-N 3.09Å |
| 755 | G | 59.3 | Low | 52.7 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.9 | -12.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | W753 G757 | W753-G755 PolarHBondContact O-N 3.48Å; G755-G757 VanDerWaalsContact C-N 3.29Å; G755-G757 PolarHBondContact O-N 2.92Å |
| 756 | L | 63.8 | Low | 52.3 | Low | 27 Ų | 27 | 96 Ų | 96 | 14% | 0.141 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -83.7 | 5.4 | -179.5 | -67.4 | 172.5 | 0 | 0 | 0 | 114.4 | Y726 K729 W753 S754 F758 | Y726-L756 HydrophobicContact CD2-CD2 4.4Å; K729-L756 HydrophobicContact CD-CD1 3.9Å; W753-L756 PolarHBondContact O-N 2.82Å; S754-L756 PolarHBondContact O-N 3.09Å; L756-F758 HydrophobicContact CB-CD2 3.7Å; L756-F758 HydrophobicContact CB-CE2 3.68Å; L756-F758 HydrophobicContact CB-CZ 4.45Å; L756-F758 HydrophobicContact CD1-CD2 4.5Å; L756-F758 HydrophobicContact CD1-CE2 4.14Å; L756-F758 HydrophobicContact CG-CE2 4.46Å; L756-F758 PolarHBondContact O-N 3.24Å; L756-F758 VanDerWaalsContact O-N 3.11Å |
| 757 | G | 60.3 | Low | 52.4 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 71.4 | 0.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G755 S759 | G755-G757 VanDerWaalsContact C-N 3.29Å; G755-G757 PolarHBondContact O-N 2.92Å; G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.18Å |
| 758 | F | 62.6 | Low | 52.6 | Low | 41 Ų | 41 | 93.5 Ų | 93.5 | 18% | 0.18 | 55% | 0.548 | C | S | . | . | trans | -77.5 | -12.9 | -179.1 | -55.7 | -45 | 0 | 0 | 0 | 114.4 | Y726 K729 K730 A733 W753 L756 | Y726-F758 HydrophobicContact CD1-CZ 4.27Å; Y726-F758 AromaticContact CD2-CZ 3.78Å; Y726-F758 HydrophobicContact CD2-CZ 3.78Å; Y726-F758 AromaticContact CE1-CE1 3.9Å; Y726-F758 HydrophobicContact CE1-CE1 3.9Å; Y726-F758 AromaticContact CE1-CZ 3.98Å; Y726-F758 HydrophobicContact CE1-CZ 3.98Å; Y726-F758 AromaticContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE2 4.28Å; Y726-F758 AromaticContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CE2-CZ 3.44Å; Y726-F758 VanDerWaalsContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CG-CZ 4.19Å; Y726-F758 AromaticContact CZ-CE1 3.48Å; Y726-F758 VanDerWaalsContact CZ-CE1 3.48Å; Y726-F758 AromaticContact CZ-CZ 3.56Å; K729-F758 HydrophobicContact CB-CE2 3.94Å; K730-F758 HydrophobicContact CB-CD1 4.3Å; K730-F758 HydrophobicContact CB-CE1 3.5Å; K730-F758 HydrophobicContact CB-CE2 4.47Å; K730-F758 HydrophobicContact CB-CZ 3.61Å; K730-F758 HydrophobicContact CD-CE1 4.3Å; K730-F758 HydrophobicContact CG-CD1 4.37Å; K730-F758 HydrophobicContact CG-CE1 3.82Å; K730-F758 HydrophobicContact CG-CZ 4.43Å; A733-F758 HydrophobicContact CB-CB 4.17Å; A733-F758 HydrophobicContact CB-CD2 4.4Å; A733-F758 HydrophobicContact CB-CG 4.34Å; W753-F758 HydrophobicContact CE3-CD2 4.28Å; L756-F758 HydrophobicContact CB-CD2 3.7Å; L756-F758 HydrophobicContact CB-CE2 3.68Å; L756-F758 HydrophobicContact CB-CZ 4.45Å; L756-F758 HydrophobicContact CD1-CD2 4.5Å; L756-F758 HydrophobicContact CD1-CE2 4.14Å; L756-F758 HydrophobicContact CG-CE2 4.46Å; L756-F758 PolarHBondContact O-N 3.24Å; L756-F758 VanDerWaalsContact O-N 3.11Å | ||
| 759 | S | 50.3 | Low | 52.8 | Low | 62 Ų | 62 | 92.6 Ų | 92.6 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -85.7 | 142.3 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | G757 S761 | G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.18Å; S759-S761 PolarHBondContact O-N 3.01Å; S759-S761 PolarHBondContact OG-OG 3.35Å |
| 760 | K | 52 | Low | 52.8 | Low | 207 Ų | 207 | 92.1 Ų | 92.1 | 90% | 0.9 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 52.8 | 174.4 | -71.8 | -162.7 | 172.9 | -171.3 | 0 | 112.7 | ||
| 761 | S | 39.3 | Very low | 52.5 | Low | 87 Ų | 87 | 95.1 Ų | 95.1 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 9 | -173 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | S759 | S759-S761 PolarHBondContact O-N 3.01Å; S759-S761 PolarHBondContact OG-OG 3.35Å |
| 762 | M | 39.3 | Very low | 52.3 | Low | 123 Ų | 123 | 96.4 Ų | 96.4 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -136.6 | 130.5 | 166.7 | -70.3 | -169.6 | 73.7 | 0 | 0 | 110.8 | T766 | M762-T766 HydrophobicContact CE-CG2 3.67Š|
| 763 | P | 46.3 | Very low | 51.9 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | trans | -78.9 | 156.6 | 178.6 | 31.8 | -33.3 | 0 | 0 | 0 | 112.4 | E765 T766 | P763-E765 VanDerWaalsContact C-N 3.29Å; P763-E765 PolarHBondContact O-N 3.46Å; P763-T766 PolarHBondContact O-N 3.37Å | ||
| 764 | A | 44.6 | Very low | 51.2 | Low | 69 Ų | 69 | 97.7 Ų | 97.7 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -32.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T766 I767 K768 | A764-T766 VanDerWaalsContact C-N 3.34Å; A764-T766 PolarHBondContact O-N 2.98Å; A764-I767 PolarHBondContact O-N 2.71Å; A764-K768 PolarHBondContact O-N 3.39Å; A764-K768 VanDerWaalsContact O-N 3.07Å |
| 765 | E | 49.4 | Very low | 50.5 | Low | 138 Ų | 138 | 102.6 Ų | 102.6 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -52.1 | -49 | 173 | -80.4 | 60.4 | -144.2 | 0 | 0 | 111.5 | P763 I767 K768 E769 | P763-E765 VanDerWaalsContact C-N 3.29Å; P763-E765 PolarHBondContact O-N 3.46Å; E765-I767 VanDerWaalsContact C-N 3.32Å; E765-I767 PolarHBondContact O-N 2.61Å; E765-K768 CarbonylContact O-C 3.5Å; E765-K768 WeakPolarHBondContact O-CA 3.41Å; E765-K768 WeakPolarHBondContact O-CB 3.25Å; E765-K768 PolarHBondContact O-N 3.26Å; E765-E769 WeakPolarHBondContact O-CB 3.47Å; E765-E769 PolarHBondContact O-N 3.41Å |
| 766 | T | 46.3 | Very low | 49.7 | Very low | 55 Ų | 55 | 105.8 Ų | 105.8 | 34% | 0.337 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -38.3 | -177.8 | -47 | 0 | 0 | 0 | 0 | 111.8 | M762 P763 A764 K768 E769 L770 | M762-T766 HydrophobicContact CE-CG2 3.67Å; P763-T766 PolarHBondContact O-N 3.37Å; A764-T766 VanDerWaalsContact C-N 3.34Å; A764-T766 PolarHBondContact O-N 2.98Å; T766-K768 VanDerWaalsContact C-N 3.26Å; T766-K768 PolarHBondContact O-N 3Å; T766-E769 WeakPolarHBondContact O-CB 3.34Å; T766-E769 PolarHBondContact O-N 2.78Å; T766-L770 WeakPolarHBondContact O-CB 3.4Å; T766-L770 PolarHBondContact O-N 2.6Å |
| 767 | I | 52.3 | Low | 48.1 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 43% | 0.426 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -25.3 | 176.3 | -38.7 | 178.9 | 0 | 0 | 0 | 111.2 | A764 E765 R771 | A764-I767 PolarHBondContact O-N 2.71Å; E765-I767 VanDerWaalsContact C-N 3.32Å; E765-I767 PolarHBondContact O-N 2.61Å; I767-R771 PolarHBondContact O-NE 3.29Å; I767-R771 PolarHBondContact O-NH2 3.47Å |
| 768 | K | 55.8 | Low | 46.7 | Very low | 146 Ų | 146 | 116.6 Ų | 116.6 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.6 | -27.1 | 176.3 | -157.1 | 171.2 | -174.2 | 176.2 | 0 | 112.1 | A764 E765 T766 R772 | A764-K768 PolarHBondContact O-N 3.39Å; A764-K768 VanDerWaalsContact O-N 3.07Å; E765-K768 CarbonylContact O-C 3.5Å; E765-K768 WeakPolarHBondContact O-CA 3.41Å; E765-K768 WeakPolarHBondContact O-CB 3.25Å; E765-K768 PolarHBondContact O-N 3.26Å; T766-K768 VanDerWaalsContact C-N 3.26Å; T766-K768 PolarHBondContact O-N 3Å; K768-R772 PolarHBondContact O-N 3.32Å |
| 769 | E | 52.3 | Low | 45 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 49% | 0.486 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.5 | -52 | 171.2 | -161.6 | 110.9 | -91.3 | 0 | 0 | 111.3 | E765 T766 R771 R772 A773 | E765-E769 WeakPolarHBondContact O-CB 3.47Å; E765-E769 PolarHBondContact O-N 3.41Å; T766-E769 WeakPolarHBondContact O-CB 3.34Å; T766-E769 PolarHBondContact O-N 2.78Å; E769-R771 PolarHBondContact O-N 3.02Å; E769-R772 WeakPolarHBondContact O-CA 3.42Å; E769-R772 WeakPolarHBondContact O-CB 3.14Å; E769-R772 PolarHBondContact O-N 2.93Å; E769-R772 IonicContact OE1-CZ 2.75Å; E769-R772 IonicContact OE1-NH1 2.72Å; E769-R772 PolarHBondContact OE1-NH1 3.43Å; E769-R772 IonicContact OE1-NH2 2.79Å; E769-R772 PolarHBondContact OE1-NH2 3.09Å; E769-A773 PolarHBondContact O-N 3.42Å; E769-A773 VanDerWaalsContact O-N 3.08Å |
| 770 | L | 51 | Low | 44.2 | Very low | 122 Ų | 122 | 126 Ų | 126 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.7 | -33 | 179.8 | -145.3 | 80 | 0 | 0 | 0 | 112.1 | T766 N774 | T766-L770 WeakPolarHBondContact O-CB 3.4Å; T766-L770 PolarHBondContact O-N 2.6Å; L770-N774 PolarHBondContact O-ND2 2.86Å |
| 771 | R | 50.8 | Low | 42.9 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76 | -32.5 | 173.2 | -80.1 | 179.5 | -75.7 | 173.9 | -9.5 | 113.7 | I767 E769 A773 N774 | I767-R771 PolarHBondContact O-NE 3.29Å; I767-R771 PolarHBondContact O-NH2 3.47Å; E769-R771 PolarHBondContact O-N 3.02Å; R771-A773 VanDerWaalsContact C-N 3.28Å; R771-A773 PolarHBondContact O-N 2.97Å; R771-N774 PolarHBondContact O-N 3.01Å |
| 772 | R | 51.2 | Low | 42.2 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 59% | 0.585 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63 | -35.8 | 171.6 | -107.7 | -175.3 | -67.4 | 109.5 | -1.5 | 111.9 | K768 E769 N774 | K768-R772 PolarHBondContact O-N 3.32Å; E769-R772 WeakPolarHBondContact O-CA 3.42Å; E769-R772 WeakPolarHBondContact O-CB 3.14Å; E769-R772 PolarHBondContact O-N 2.93Å; E769-R772 IonicContact OE1-CZ 2.75Å; E769-R772 IonicContact OE1-NH1 2.72Å; E769-R772 PolarHBondContact OE1-NH1 3.43Å; E769-R772 IonicContact OE1-NH2 2.79Å; E769-R772 PolarHBondContact OE1-NH2 3.09Å; R772-N774 PolarHBondContact O-N 3.43Å |
| 773 | A | 48.4 | Very low | 41.9 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | E769 R771 | E769-A773 PolarHBondContact O-N 3.42Å; E769-A773 VanDerWaalsContact O-N 3.08Å; R771-A773 VanDerWaalsContact C-N 3.28Å; R771-A773 PolarHBondContact O-N 2.97Å |
| 774 | N | 44.4 | Very low | 40.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 9.8 | -171.4 | -76.1 | -81.7 | 0 | 0 | 0 | 114.9 | L770 R771 R772 V776 | L770-N774 PolarHBondContact O-ND2 2.86Å; R771-N774 PolarHBondContact O-N 3.01Å; R772-N774 PolarHBondContact O-N 3.43Å; N774-V776 VanDerWaalsContact C-N 3.35Å; N774-V776 PolarHBondContact O-N 3.25Å |
| 775 | H | 41.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 80% | 0.801 | 67% | 0.671 | S | S | * | * | trans | 50.1 | 32.3 | 159.8 | -107.8 | -82.1 | 0 | 0 | 0 | 119.5 | P777 | H775-P777 WeakPolarHBondContact O-CD 3.49Š| ||
| 776 | V | 41.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | trans | -89.5 | 118.4 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | N774 | N774-V776 VanDerWaalsContact C-N 3.35Å; N774-V776 PolarHBondContact O-N 3.25Å | ||
| 777 | P | 30.4 | Very low | 38.2 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -80 | 138.7 | 170.6 | 32.6 | -32.9 | 0 | 0 | 0 | 111.1 | H775 | H775-P777 WeakPolarHBondContact O-CD 3.49Š| ||
| 778 | Y | 31 | Very low | 37 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | trans | -134.6 | 126.2 | 177.8 | -179.9 | -101.7 | 0 | 0 | 0 | 111.6 | P780 | Y778-P780 HydrophobicContact CE1-CB 4.03Š| ||
| 779 | K | 27.5 | Very low | 35.5 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -93.2 | 123.3 | 165.7 | -72.7 | -175.8 | 177.6 | -178.9 | 0 | 108.7 | ||||
| 780 | P | 31.7 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -73.5 | 127.3 | 167.4 | 30.3 | -31.5 | 0 | 0 | 0 | 109.8 | Y778 | Y778-P780 HydrophobicContact CE1-CB 4.03Š| ||
| 781 | S | 25.1 | Very low | 34 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -141.8 | 116.5 | 170.5 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 782 | M | 25.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | 60.7 | 177.5 | 158 | -62.6 | -61.5 | 97.6 | 0 | 0 | 118.7 | ||||
| 783 | S | 32.5 | Very low | 31.7 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -161.3 | 141.3 | -141.8 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 784 | T | 26.1 | Very low | 30.7 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -137.2 | 126.4 | 159.6 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 785 | T | 27.6 | Very low | 30 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | 80.6 | 108.3 | 47.3 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 786 | Y | 27.8 | Very low | 29.3 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -137.4 | 150.9 | 152.7 | -171 | -95 | 0 | 0 | 0 | 108.5 | ||||
| 787 | E | 27.9 | Very low | 28.5 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 166.4 | -164.2 | -101.3 | -70 | 173.8 | 0 | 0 | 115.1 | ||||
| 788 | G | 26.4 | Very low | 28.4 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 173 | 47 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 789 | S | 25.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -110 | 152.7 | 167.9 | -135.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 790 | P | 43.6 | Very low | 28.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -151.7 | 160.1 | 82.8 | 37.2 | -18.1 | 0 | 0 | 0 | 117.2 | |||||
| 791 | L | 27.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 169.3 | 125.2 | 110.2 | -89 | 175.4 | 0 | 0 | 0 | 113.2 | |||||
| 792 | S | 28.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 59.6 | 142 | 146.1 | -62.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 793 | L | 25.5 | Very low | 28.3 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | cis | -164.9 | 150.6 | 1.3 | -121.9 | 170.7 | 0 | 0 | 0 | 112 | ||||
| 794 | S | 27.8 | Very low | 28 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 64.7 | 147.7 | 156.2 | 41 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 795 | R | 28.4 | Very low | 27.9 | Very low | 236 Ų | 236 | 130.8 Ų | 130.8 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | cis | -169.4 | 149.5 | -13.3 | 179.3 | 174.7 | -167.8 | 168.6 | 3.2 | 111.5 | ||||
| 796 | A | 26.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 66.7 | 148.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 797 | G | 25.7 | Very low | 27.9 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | 137 | 145.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 798 | S | 28 | Very low | 27.9 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -167.5 | 167.2 | -4.6 | -168 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 799 | R | 28.3 | Very low | 28 | Very low | 198 Ų | 198 | 126 Ų | 126 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | 65.2 | 159.4 | 168.3 | -53.4 | -168 | 80.6 | -166.3 | -2.4 | 117.1 | ||||
| 800 | E | 28.5 | Very low | 28.2 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -168.8 | 155.4 | -34.5 | -106.9 | 157.9 | -129.2 | 0 | 0 | 106.6 | ||||
| 801 | G | 27 | Very low | 27.4 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 162.1 | 101.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 802 | V | 28.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -84.3 | 148.5 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 803 | G | 26.3 | Very low | 27.3 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 117.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 804 | N | 27.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 161.8 | 174.3 | -65 | -8.4 | 0 | 0 | 0 | 112.8 | ||||
| 805 | G | 24 | Very low | 27.3 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -175.5 | 145.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 806 | S | 27.8 | Very low | 27.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -130.4 | 174.9 | -177.7 | -161.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 807 | D | 26.4 | Very low | 27.1 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 87 | 108.8 | 153.1 | -54.3 | -24 | 0 | 0 | 0 | 120.3 | ||||
| 808 | S | 29.6 | Very low | 27.1 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 67.1 | 125.1 | 127.9 | 70.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 809 | D | 28.1 | Very low | 26.9 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | 104.1 | 156.4 | 126 | -107.9 | -55.2 | 0 | 0 | 0 | 122.4 | |||||
| 810 | N | 28.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -70 | 158.2 | -166.4 | -69 | -90.6 | 0 | 0 | 0 | 114 | ||||
| 811 | W | 27.1 | Very low | 27.2 | Very low | 222 Ų | 222 | 133.3 Ų | 133.3 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | -179.8 | -157.6 | 101 | -93.8 | 97.8 | 0 | 0 | 0 | 110.5 | |||||
| 812 | R | 28.2 | Very low | 27.1 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -107.1 | 161.9 | -156.3 | -64.6 | 169 | -179.9 | -115.5 | 1.2 | 115.1 | ||||
| 813 | E | 26.8 | Very low | 26.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | trans | 91.8 | 146.3 | 135.7 | -115.2 | 179.5 | -99.6 | 0 | 0 | 121.8 | ||||
| 814 | R | 25.8 | Very low | 26.7 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 74.9 | 117.1 | 156.5 | -68.6 | 178.1 | -168.5 | -108.2 | -11.3 | 122 | ||||
| 815 | N | 27.5 | Very low | 26.5 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | 45.6 | 119.9 | 126.9 | -59.7 | 13.4 | 0 | 0 | 0 | 120.6 | |||||
| 816 | G | 25.1 | Very low | 27.1 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -164.4 | 114.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 817 | N | 24.7 | Very low | 26.9 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 96% | 0.963 | 76% | 0.758 | S | S | * | * | trans | -85.4 | 144.7 | 176.1 | -72.1 | -4.6 | 0 | 0 | 0 | 110.6 | ||||
| 818 | G | 25.8 | Very low | 26.8 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -170.6 | 90 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 819 | L | 23.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -101.3 | 163.1 | 153.5 | -98.7 | 110.9 | 0 | 0 | 0 | 107.4 | ||||
| 820 | P | 38.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -148 | 178.6 | 39.1 | 43.5 | -23.2 | 0 | 0 | 0 | 118.4 | ||||
| 821 | N | 25.6 | Very low | 26.1 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 29.4 | 153.9 | 135.3 | -56.3 | 3.9 | 0 | 0 | 0 | 121.2 | ||||
| 822 | H | 25.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -165.9 | 154.7 | 17.5 | -151.1 | -118.4 | 0 | 0 | 0 | 112.9 | ||||
| 823 | T | 24.2 | Very low | 26.1 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | 57.2 | 158.9 | 155.6 | 34.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 824 | E | 22 | Very low | 26 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | cis | -144.8 | -178.1 | 10.7 | -146.5 | 146.4 | -133.3 | 0 | 0 | 113.9 | ||||
| 825 | F | 21.7 | Very low | 25.9 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -99.1 | -173.8 | -175.5 | -99.9 | -107.7 | 0 | 0 | 0 | 111.5 | ||||
| 826 | P | 37.6 | Very low | 25.7 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -145.3 | 174.9 | 17 | 45.2 | -25.9 | 0 | 0 | 0 | 120 | ||||
| 827 | S | 24.1 | Very low | 25.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 150.8 | 149 | -66.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 828 | A | 24 | Very low | 25.7 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | cis | -155 | 168.1 | 6.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 829 | V | 25.3 | Very low | 25.7 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | 78.4 | 128.4 | 146.8 | 169.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 830 | S | 23.8 | Very low | 25.8 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 84 | 158 | 158.5 | -145.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 831 | S | 21.7 | Very low | 25.6 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -147 | -166.1 | -171.4 | -63.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 832 | P | 33.1 | Very low | 25.6 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -142.9 | -166.2 | 0.9 | 43.7 | -24.2 | 0 | 0 | 0 | 115.3 | ||||
| 833 | K | 23.1 | Very low | 25.7 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | 72.3 | 160 | 156.9 | -69.9 | 166.8 | -170.3 | 167 | 0 | 117.3 | ||||
| 834 | R | 24.5 | Very low | 25.9 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | cis | -177.3 | 138.3 | -27.3 | 173.6 | 176.1 | -166.7 | -151.4 | 11.6 | 110.1 | ||||
| 835 | K | 22.8 | Very low | 26.2 | Very low | 150 Ų | 150 | 137 Ų | 137 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | 65.5 | 151.5 | 165.2 | -79.6 | -172.3 | 166.4 | -168.5 | 0 | 116.2 | ||||
| 836 | Q | 24.5 | Very low | 26.3 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 57% | 0.57 | 74% | 0.737 | S | S | * | * | cis | 78.8 | 91.3 | 24.8 | -172.3 | -150.2 | 42.8 | 0 | 0 | 115.2 | ||||
| 837 | N | 23.2 | Very low | 25.8 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | -175.8 | 165.9 | 106.9 | -115.4 | -12.2 | 0 | 0 | 0 | 114.1 | |||||
| 838 | K | 25.6 | Very low | 26 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 90% | 0.9 | 73% | 0.734 | S | S | * | * | trans | -141.5 | 116.8 | 163.6 | -179.3 | 178.1 | -178.5 | 176.7 | 0 | 109.3 | ||||
| 839 | S | 25.8 | Very low | 26.5 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | trans | -165.2 | 131.8 | 177.6 | 55 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 840 | A | 26.6 | Very low | 26.9 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | 55.5 | 130.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 841 | A | 34.4 | Very low | 27.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | cis | 86.3 | 110.5 | 26.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 842 | E | 24.7 | Very low | 27.6 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -153.8 | 153.4 | 174.7 | -74.9 | -158.5 | -167.7 | 0 | 0 | 107.8 | ||||
| 843 | H | 28.2 | Very low | 27.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | cis | -170.1 | -164.3 | -14.8 | -104.8 | -27.8 | 0 | 0 | 0 | 109 | ||||
| 844 | Y | 26.5 | Very low | 28.3 | Very low | 190 Ų | 190 | 139 Ų | 139 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | 83.4 | 136.5 | 159 | -61.1 | -86.5 | 0 | 0 | 0 | 118.1 | ||||
| 845 | L | 28.4 | Very low | 28.6 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | cis | -164.4 | -172.1 | -20 | -132 | -165.1 | 0 | 0 | 0 | 112.3 | ||||
| 846 | S | 24.4 | Very low | 29.1 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 93.1 | 90.8 | 167.9 | -143.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 847 | S | 27.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | 75.8 | 150.1 | 64.5 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 848 | S | 29.1 | Very low | 30 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -116.6 | -153.8 | 6.3 | 63.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 849 | N | 34.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | cis | -143.7 | -120.3 | 12 | -153 | 49.2 | 0 | 0 | 0 | 114.6 | ||||
| 850 | Y | 32.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -146.4 | 152.3 | -160.4 | -172.6 | -116.8 | 0 | 0 | 0 | 112.3 | ||||
| 851 | M | 33.1 | Very low | 30.7 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | 81.3 | 70.8 | -176.9 | -71.2 | -68.1 | 116.9 | 0 | 0 | 118.7 | ||||
| 852 | D | 28.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -161.3 | 82.8 | 148.7 | -145.5 | -11.8 | 0 | 0 | 0 | 110.6 | ||||
| 853 | S | 37 | Very low | 31.4 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | -115 | 6.1 | -159.7 | -60.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 854 | I | 33.6 | Very low | 32 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -142.1 | 78 | 174.9 | -43.3 | 177.2 | 0 | 0 | 0 | 112.3 | ||
| 855 | S | 31.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 175.3 | 67.4 | 147.7 | -84.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 856 | S | 32.2 | Very low | 34.1 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | trans | -150.7 | 22.6 | 179.9 | 53.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 857 | V | 33.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | trans | -111.8 | 49.4 | -177.4 | -66.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 858 | T | 34.2 | Very low | 35.9 | Very low | 113 Ų | 113 | 111.5 Ų | 111.5 | 69% | 0.693 | 68% | 0.681 | S | S | * | * | trans | -131.9 | 40.2 | 166.3 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 859 | G | 27 | Very low | 36.9 | Very low | 71 Ų | 71 | 109 Ų | 109 | 73% | 0.732 | 66% | 0.659 | S | S | * | * | trans | -66.2 | 133.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | N861 | G859-N861 PolarHBondContact O-N 2.83Š| ||
| 860 | S | 34.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 112.3 Ų | 112.3 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | trans | -77.3 | 86.1 | -160.7 | -49.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 861 | N | 31.7 | Very low | 38.3 | Very low | 161 Ų | 161 | 107.1 Ų | 107.1 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -92.4 | 71.9 | 149.8 | -83.1 | -10.5 | 0 | 0 | 0 | 109.4 | G859 C863 | G859-N861 PolarHBondContact O-N 2.83Å; N861-C863 PolarHBondContact O-N 3.03Å; N861-C863 VanDerWaalsContact O-N 3.11Å | ||
| 862 | G | 33.8 | Very low | 39.5 | Very low | 67 Ų | 67 | 101.6 Ų | 101.6 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -69.7 | 100.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N864 | G862-N864 PolarHBondContact O-N 3.41Š| ||
| 863 | C | 38.5 | Very low | 41.6 | Very low | 43 Ų | 43 | 99.9 Ų | 99.9 | 29% | 0.291 | 64% | 0.635 | S | S | . | * | trans | -68.4 | 95.9 | 177.1 | 43.5 | 0 | 0 | 0 | 0 | 109.8 | N861 L865 L881 E928 | N861-C863 PolarHBondContact O-N 3.03Å; N861-C863 VanDerWaalsContact O-N 3.11Å; C863-L865 HydrophobicContact CB-CD2 4.15Å; C863-L865 HydrophobicContact CB-CG 4.31Å; C863-L865 WeakPolarHBondContact O-CG 3.48Å; C863-L865 PolarHBondContact O-N 3.08Å; C863-L881 HydrophobicContact CB-CD2 4.42Å; C863-E928 PolarHBondContact SG-OE2 3.02Å | ||
| 864 | N | 40.3 | Very low | 43.9 | Very low | 129 Ų | 129 | 95.6 Ų | 95.6 | 69% | 0.69 | 61% | 0.605 | S | S | * | * | trans | -72.9 | 77.9 | -179.4 | -139.6 | -34.9 | 0 | 0 | 0 | 110.2 | G862 N866 | G862-N864 PolarHBondContact O-N 3.41Å; N864-N866 PolarHBondContact O-N 2.96Å; N864-N866 PolarHBondContact OD1-ND2 3.27Å | ||
| 865 | L | 50.7 | Low | 46.3 | Very low | 20 Ų | 20 | 90.8 Ų | 90.8 | 11% | 0.105 | 58% | 0.583 | C | S | . | * | G | 310 helix | trans | -67.3 | -0.5 | -174.1 | -65.4 | -177.8 | 0 | 0 | 0 | 113.6 | C863 S867 L869 L877 E928 L929 | C863-L865 HydrophobicContact CB-CD2 4.15Å; C863-L865 HydrophobicContact CB-CG 4.31Å; C863-L865 WeakPolarHBondContact O-CG 3.48Å; C863-L865 PolarHBondContact O-N 3.08Å; L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 2.75Å; L865-L869 HydrophobicContact CB-CD1 3.77Å; L865-L869 HydrophobicContact CD1-CD1 4.31Å; L865-L869 HydrophobicContact CD2-CD1 4.24Å; L865-L869 HydrophobicContact CG-CD1 4.31Å; L865-L877 HydrophobicContact CD1-CD1 4.41Å; L865-L877 HydrophobicContact CD2-CD1 4.21Å; L865-E928 HydrophobicContact CD1-CG 4.41Å; L865-L929 HydrophobicContact CD1-CD1 4.31Å; L865-L929 HydrophobicContact CD1-CD2 3.81Å; L865-L929 HydrophobicContact CD1-CG 3.86Å |
| 866 | N | 49.9 | Very low | 48.8 | Very low | 91 Ų | 91 | 89.1 Ų | 89.1 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -78.4 | 0.8 | -161.2 | -66.9 | -56.8 | 0 | 0 | 0 | 116.4 | N864 N932 | N864-N866 PolarHBondContact O-N 2.96Å; N864-N866 PolarHBondContact OD1-ND2 3.27Å; N866-N932 PolarHBondContact OD1-ND2 2.8Å |
| 867 | S | 43.7 | Very low | 51.3 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 81% | 0.811 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -128.8 | 0.5 | -171.5 | 62 | 0 | 0 | 0 | 0 | 117 | L865 | L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 2.75Å |
| 868 | S | 44.8 | Very low | 53.9 | Low | 79 Ų | 79 | 78.9 Ų | 78.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -151.5 | 24.1 | -172.7 | -167.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 869 | L | 49.7 | Very low | 56.3 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 27% | 0.272 | 49% | 0.488 | S | S | . | . | trans | -115.6 | 32.1 | -178.2 | -52.3 | -176.6 | 0 | 0 | 0 | 114.3 | L865 G871 S872 L929 | L865-L869 HydrophobicContact CB-CD1 3.77Å; L865-L869 HydrophobicContact CD1-CD1 4.31Å; L865-L869 HydrophobicContact CD2-CD1 4.24Å; L865-L869 HydrophobicContact CG-CD1 4.31Å; L869-G871 VanDerWaalsContact C-N 3.34Å; L869-G871 PolarHBondContact O-N 3.07Å; L869-S872 WeakPolarHBondContact CD2-OG 3.45Å; L869-L929 HydrophobicContact CD1-CD2 3.58Å | ||
| 870 | K | 45.2 | Very low | 58.9 | Low | 221 Ų | 221 | 78.5 Ų | 78.5 | 96% | 0.961 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -81.1 | 84.9 | 161.9 | -83.9 | -168.4 | 171.7 | -173.7 | 0 | 108.9 | ||
| 871 | G | 50.8 | Low | 61.4 | Low | 79 Ų | 79 | 73.9 Ų | 73.9 | 81% | 0.814 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 87.4 | 55.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L869 | L869-G871 VanDerWaalsContact C-N 3.34Å; L869-G871 PolarHBondContact O-N 3.07Å |
| 872 | S | 59 | Low | 63.9 | Low | 15 Ų | 15 | 69.1 Ų | 69.1 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | trans | -118.2 | 125.7 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | L869 E876 L897 | L869-S872 WeakPolarHBondContact CD2-OG 3.45Å; S872-E876 WeakPolarHBondContact CB-OE2 3.45Å; S872-L897 WeakPolarHBondContact O-CD2 3.2Å | ||
| 873 | D | 73.3 | Confident | 66.5 | Low | 122 Ų | 122 | 66.2 Ų | 66.2 | 65% | 0.652 | 40% | 0.397 | S | S | * | . | trans | -73.9 | 162.1 | -175.4 | -54.3 | -53.4 | 0 | 0 | 0 | 114 | P875 E876 L877 | D873-P875 VanDerWaalsContact C-CD 3.41Å; D873-E876 PolarHBondContact O-N 3.12Å; D873-L877 PolarHBondContact O-N 3.26Å | ||
| 874 | L | 84.2 | Confident | 68.7 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -51.7 | -39.7 | -179.7 | -171 | 64 | 0 | 0 | 0 | 114.6 | E876 L877 F878 F890 I895 L897 F900 | L874-E876 VanDerWaalsContact C-N 3.28Å; L874-E876 PolarHBondContact O-N 3.33Å; L874-L877 HydrophobicContact CD1-CD2 4.25Å; L874-L877 PolarHBondContact O-N 2.79Å; L874-F878 HydrophobicContact CD1-CD1 4.35Å; L874-F878 HydrophobicContact CD1-CE1 3.75Å; L874-F878 HydrophobicContact CD1-CE2 3.99Å; L874-F878 HydrophobicContact CD1-CZ 3.56Å; L874-F878 HydrophobicContact CD2-CE2 3.86Å; L874-F878 HydrophobicContact CD2-CZ 3.94Å; L874-F878 HydrophobicContact CG-CD2 4.16Å; L874-F878 HydrophobicContact CG-CE1 4.32Å; L874-F878 HydrophobicContact CG-CE2 3.64Å; L874-F878 HydrophobicContact CG-CZ 3.74Å; L874-F878 PolarHBondContact O-N 3.39Å; L874-F890 HydrophobicContact CD2-CB 3.94Å; L874-F890 HydrophobicContact CD2-CD1 4.02Å; L874-F890 HydrophobicContact CD2-CG 4.18Å; L874-I895 VanDerWaalsContact CD2-O 3.25Å; L874-I895 WeakPolarHBondContact CD2-O 3.46Å; L874-L897 HydrophobicContact CD1-CD1 4.02Å; L874-F900 HydrophobicContact CD1-CB 3.84Å; L874-F900 HydrophobicContact CD1-CD1 3.65Å; L874-F900 HydrophobicContact CD1-CD2 3.96Å; L874-F900 HydrophobicContact CD1-CE1 4.22Å; L874-F900 HydrophobicContact CD1-CG 3.51Å; L874-F900 HydrophobicContact CD2-CB 4.12Å; L874-F900 HydrophobicContact CD2-CG 4.41Å |
| 875 | P | 84.1 | Confident | 70.9 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.4 | -36.4 | 172.9 | -28.9 | 37 | 0 | 0 | 0 | 114.7 | D873 S879 T887 | D873-P875 VanDerWaalsContact C-CD 3.41Å; P875-S879 WeakPolarHBondContact O-CB 3.36Å; P875-S879 PolarHBondContact O-N 3.14Å; P875-S879 PolarHBondContact O-OG 3.22Å; P875-T887 HydrophobicContact CB-CG2 3.64Å; P875-T887 HydrophobicContact CG-CG2 3.69Å |
| 876 | E | 83.9 | Confident | 72.7 | Confident | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -76.7 | -35.1 | -178.8 | -147.9 | -146.8 | 166.3 | 0 | 0 | 111.2 | S872 D873 L874 S879 K880 | S872-E876 WeakPolarHBondContact CB-OE2 3.45Å; D873-E876 PolarHBondContact O-N 3.12Å; L874-E876 VanDerWaalsContact C-N 3.28Å; L874-E876 PolarHBondContact O-N 3.33Å; E876-S879 PolarHBondContact O-N 2.75Å; E876-K880 WeakPolarHBondContact O-CB 3.46Å; E876-K880 WeakPolarHBondContact O-CD 3.47Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.31Å; E876-K880 PolarHBondContact O-N 3.26Å; E876-K880 WeakPolarHBondContact OE1-CE 3.26Å; E876-K880 IonicContact OE1-NZ 3.24Å; E876-K880 PolarHBondContact OE1-NZ 2.99Å; E876-K880 IonicContact OE2-NZ 3.89Å; E876-K880 PolarHBondContact OE2-NZ 2.97Å |
| 877 | L | 85.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 173 | 179.8 | 61.4 | 0 | 0 | 0 | 111.1 | L865 D873 L874 S879 K880 L881 L897 F900 L929 | L865-L877 HydrophobicContact CD1-CD1 4.41Å; L865-L877 HydrophobicContact CD2-CD1 4.21Å; D873-L877 PolarHBondContact O-N 3.26Å; L874-L877 HydrophobicContact CD1-CD2 4.25Å; L874-L877 PolarHBondContact O-N 2.79Å; L877-S879 VanDerWaalsContact C-N 3.33Å; L877-S879 PolarHBondContact O-N 2.69Å; L877-K880 PolarHBondContact O-N 3.28Å; L877-L881 HydrophobicContact CD1-CD1 4.09Å; L877-L881 HydrophobicContact CD1-CG 4.41Å; L877-L881 HydrophobicContact CG-CD1 4.04Å; L877-L881 WeakPolarHBondContact O-CG 3.42Å; L877-L881 PolarHBondContact O-N 3.15Å; L877-L897 HydrophobicContact CD2-CD1 4.01Å; L877-F900 HydrophobicContact CD2-CD1 4.27Å; L877-F900 HydrophobicContact CD2-CE1 3.87Å; L877-L929 HydrophobicContact CD2-CD1 3.86Å |
| 878 | F | 88.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 176.3 | -66.8 | -20.7 | 0 | 0 | 0 | 112.6 | L874 K880 L881 G882 L883 G884 F890 F900 M922 | L874-F878 HydrophobicContact CD1-CD1 4.35Å; L874-F878 HydrophobicContact CD1-CE1 3.75Å; L874-F878 HydrophobicContact CD1-CE2 3.99Å; L874-F878 HydrophobicContact CD1-CZ 3.56Å; L874-F878 HydrophobicContact CD2-CE2 3.86Å; L874-F878 HydrophobicContact CD2-CZ 3.94Å; L874-F878 HydrophobicContact CG-CD2 4.16Å; L874-F878 HydrophobicContact CG-CE1 4.32Å; L874-F878 HydrophobicContact CG-CE2 3.64Å; L874-F878 HydrophobicContact CG-CZ 3.74Å; L874-F878 PolarHBondContact O-N 3.39Å; F878-K880 PolarHBondContact O-N 2.85Å; F878-L881 PolarHBondContact O-N 3.14Å; F878-G882 PolarHBondContact O-N 2.9Å; F878-L883 HydrophobicContact CB-CB 4.19Å; F878-L883 CarbonylContact O-C 3.55Å; F878-L883 WeakPolarHBondContact O-CA 3.4Å; F878-L883 PolarHBondContact O-N 2.86Å; F878-G884 PolarHBondContact O-N 3.11Å; F878-F890 HydrophobicContact CD2-CD2 4.49Å; F878-F890 HydrophobicContact CE2-CB 4.11Å; F878-F890 HydrophobicContact CE2-CD1 4.16Å; F878-F890 AromaticContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CD2 3.42Å; F878-F890 VanDerWaalsContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CE1 4.47Å; F878-F890 AromaticContact CE2-CE2 3.77Å; F878-F890 HydrophobicContact CE2-CE2 3.77Å; F878-F890 AromaticContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CZ 4.28Å; F878-F890 AromaticContact CZ-CD1 4Å; F878-F890 HydrophobicContact CZ-CD1 4Å; F878-F890 AromaticContact CZ-CD2 3.79Å; F878-F890 HydrophobicContact CZ-CD2 3.79Å; F878-F890 AromaticContact CZ-CE1 3.94Å; F878-F890 HydrophobicContact CZ-CE1 3.94Å; F878-F890 AromaticContact CZ-CE2 3.71Å; F878-F890 HydrophobicContact CZ-CE2 3.71Å; F878-F890 AromaticContact CZ-CG 3.93Å; F878-F890 HydrophobicContact CZ-CG 3.93Å; F878-F890 AromaticContact CZ-CZ 3.78Å; F878-F890 HydrophobicContact CZ-CZ 3.78Å; F878-F900 HydrophobicContact CE1-CD2 4.11Å; F878-F900 HydrophobicContact CE1-CE1 4.38Å; F878-F900 AromaticContact CE1-CE2 3.52Å; F878-F900 HydrophobicContact CE1-CE2 3.52Å; F878-F900 AromaticContact CE1-CZ 3.68Å; F878-F900 HydrophobicContact CE1-CZ 3.68Å; F878-F900 AromaticContact CZ-CD2 3.85Å; F878-F900 HydrophobicContact CZ-CD2 3.85Å; F878-F900 AromaticContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CZ 4.27Å; F878-M922 HydrophobicContact CD1-CE 4.15Å; F878-M922 HydrophobicContact CE1-CE 3.77Å; F878-M922 HydrophobicContact CE1-CG 4.15Å; F878-M922 HydrophobicContact CE2-CE 4.41Å; F878-M922 HydrophobicContact CZ-CE 3.9Å |
| 879 | S | 84.8 | Confident | 78.6 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 172.3 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | P875 E876 L877 G882 | P875-S879 WeakPolarHBondContact O-CB 3.36Å; P875-S879 PolarHBondContact O-N 3.14Å; P875-S879 PolarHBondContact O-OG 3.22Å; E876-S879 PolarHBondContact O-N 2.75Å; L877-S879 VanDerWaalsContact C-N 3.33Å; L877-S879 PolarHBondContact O-N 2.69Å; S879-G882 PolarHBondContact O-N 2.89Å |
| 880 | K | 81.4 | Confident | 80.5 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 176.7 | -73 | 163.9 | -179.4 | 165.9 | 0 | 113.3 | E876 L877 F878 G882 | E876-K880 WeakPolarHBondContact O-CB 3.46Å; E876-K880 WeakPolarHBondContact O-CD 3.47Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.31Å; E876-K880 PolarHBondContact O-N 3.26Å; E876-K880 WeakPolarHBondContact OE1-CE 3.26Å; E876-K880 IonicContact OE1-NZ 3.24Å; E876-K880 PolarHBondContact OE1-NZ 2.99Å; E876-K880 IonicContact OE2-NZ 3.89Å; E876-K880 PolarHBondContact OE2-NZ 2.97Å; L877-K880 PolarHBondContact O-N 3.28Å; F878-K880 PolarHBondContact O-N 2.85Å; K880-G882 VanDerWaalsContact C-N 3.31Å; K880-G882 PolarHBondContact O-N 3.27Å |
| 881 | L | 85.2 | Confident | 82.4 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.8 | -6.2 | 178.7 | -67.2 | 170.6 | 0 | 0 | 0 | 114.3 | C863 L877 F878 L883 K921 A925 | C863-L881 HydrophobicContact CB-CD2 4.42Å; L877-L881 HydrophobicContact CD1-CD1 4.09Å; L877-L881 HydrophobicContact CD1-CG 4.41Å; L877-L881 HydrophobicContact CG-CD1 4.04Å; L877-L881 WeakPolarHBondContact O-CG 3.42Å; L877-L881 PolarHBondContact O-N 3.15Å; F878-L881 PolarHBondContact O-N 3.14Å; L881-L883 HydrophobicContact CB-CB 4.4Å; L881-L883 HydrophobicContact CB-CD1 3.93Å; L881-L883 HydrophobicContact CB-CG 3.99Å; L881-L883 HydrophobicContact CD1-CD1 4.32Å; L881-K921 PolarHBondContact O-NZ 3.23Å; L881-A925 HydrophobicContact CD1-CB 3.77Å; L881-A925 HydrophobicContact CD2-CB 4.42Å |
| 882 | G | 85.1 | Confident | 84 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 34.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F878 S879 K880 | F878-G882 PolarHBondContact O-N 2.9Å; S879-G882 PolarHBondContact O-N 2.89Å; K880-G882 VanDerWaalsContact C-N 3.31Å; K880-G882 PolarHBondContact O-N 3.27Å |
| 883 | L | 88.2 | Confident | 85.2 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | trans | -121.7 | 8.8 | -175.8 | -64 | -179.7 | 0 | 0 | 0 | 113 | F878 L881 K885 Y886 A918 K921 M922 | F878-L883 HydrophobicContact CB-CB 4.19Å; F878-L883 CarbonylContact O-C 3.55Å; F878-L883 WeakPolarHBondContact O-CA 3.4Å; F878-L883 PolarHBondContact O-N 2.86Å; L881-L883 HydrophobicContact CB-CB 4.4Å; L881-L883 HydrophobicContact CB-CD1 3.93Å; L881-L883 HydrophobicContact CB-CG 3.99Å; L881-L883 HydrophobicContact CD1-CD1 4.32Å; L883-K885 PolarHBondContact O-N 2.91Å; L883-Y886 HydrophobicContact CB-CD2 4.17Å; L883-Y886 HydrophobicContact CD2-CD2 4.2Å; L883-Y886 HydrophobicContact CD2-CE2 4.06Å; L883-Y886 WeakPolarHBondContact O-CD2 3.49Å; L883-Y886 PolarHBondContact O-N 2.97Å; L883-A918 HydrophobicContact CD2-CB 3.94Å; L883-K921 HydrophobicContact CD1-CB 3.89Å; L883-K921 HydrophobicContact CD1-CD 4.31Å; L883-K921 HydrophobicContact CD2-CD 3.99Å; L883-K921 HydrophobicContact CG-CD 4.26Å; L883-M922 HydrophobicContact CB-CE 4.33Å; L883-M922 HydrophobicContact CD1-CE 3.87Å; L883-M922 HydrophobicContact CD1-CG 3.73Å; L883-M922 HydrophobicContact CD1-SD 4.26Å | ||
| 884 | G | 85.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -54.4 | -22 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | F878 Y886 T887 | F878-G884 PolarHBondContact O-N 3.11Å; G884-Y886 PolarHBondContact O-N 2.68Å; G884-T887 VanDerWaalsContact O-CB 3.3Å; G884-T887 WeakPolarHBondContact O-CB 3.33Å; G884-T887 PolarHBondContact O-N 2.75Å; G884-T887 VanDerWaalsContact O-N 3.14Å; G884-T887 PolarHBondContact O-OG1 3.4Å |
| 885 | K | 86.1 | Confident | 85.9 | Confident | 153 Ų | 153 | 65.3 Ų | 65.3 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -69 | -2.5 | 172 | 67.5 | 160.6 | -172.3 | 154.8 | 0 | 115.4 | L883 | L883-K885 PolarHBondContact O-N 2.91Š|
| 886 | Y | 89 | Confident | 85.9 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -105.8 | -11.3 | 171.8 | -59.9 | -76.5 | 0 | 0 | 0 | 112.1 | L883 G884 D888 V889 F890 I913 T915 A918 M922 | L883-Y886 HydrophobicContact CB-CD2 4.17Å; L883-Y886 HydrophobicContact CD2-CD2 4.2Å; L883-Y886 HydrophobicContact CD2-CE2 4.06Å; L883-Y886 WeakPolarHBondContact O-CD2 3.49Å; L883-Y886 PolarHBondContact O-N 2.97Å; G884-Y886 PolarHBondContact O-N 2.68Å; Y886-D888 VanDerWaalsContact C-N 3.26Å; Y886-D888 PolarHBondContact O-N 3.34Å; Y886-V889 WeakPolarHBondContact O-CB 3.44Å; Y886-V889 PolarHBondContact O-N 2.76Å; Y886-F890 WeakPolarHBondContact O-CD2 3.39Å; Y886-F890 PolarHBondContact O-N 2.92Å; Y886-I913 HydrophobicContact CD1-CG1 4.32Å; Y886-I913 HydrophobicContact CD1-CG2 4.09Å; Y886-I913 HydrophobicContact CE1-CG2 3.78Å; Y886-T915 PolarHBondContact OH-OG1 2.83Å; Y886-A918 HydrophobicContact CD2-CB 4.4Å; Y886-A918 HydrophobicContact CE2-CB 3.6Å; Y886-M922 HydrophobicContact CD2-CE 4.17Å; Y886-M922 HydrophobicContact CG-CE 4.21Å |
| 887 | T | 88.6 | Confident | 86 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -50.7 | -47.1 | -178 | -60.7 | 0 | 0 | 0 | 0 | 112 | P875 G884 V889 F890 Q891 | P875-T887 HydrophobicContact CB-CG2 3.64Å; P875-T887 HydrophobicContact CG-CG2 3.69Å; G884-T887 VanDerWaalsContact O-CB 3.3Å; G884-T887 WeakPolarHBondContact O-CB 3.33Å; G884-T887 PolarHBondContact O-N 2.75Å; G884-T887 VanDerWaalsContact O-N 3.14Å; G884-T887 PolarHBondContact O-OG1 3.4Å; T887-V889 PolarHBondContact O-N 3.42Å; T887-F890 PolarHBondContact O-N 3.48Å; T887-F890 VanDerWaalsContact O-N 3.17Å; T887-Q891 WeakPolarHBondContact O-CB 3.39Å; T887-Q891 PolarHBondContact O-N 2.97Å |
| 888 | D | 84.7 | Confident | 85.8 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -32 | -177.1 | -43.2 | -43.6 | 0 | 0 | 0 | 111.9 | Y886 Q891 Q892 | Y886-D888 VanDerWaalsContact C-N 3.26Å; Y886-D888 PolarHBondContact O-N 3.34Å; D888-Q891 PolarHBondContact O-N 3.36Å; D888-Q892 VanDerWaalsContact O-CB 3.28Å; D888-Q892 WeakPolarHBondContact O-CB 3.38Å; D888-Q892 WeakPolarHBondContact O-CG 3.41Å; D888-Q892 PolarHBondContact O-N 3.37Å |
| 889 | V | 88.6 | Confident | 85.7 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | Y886 T887 Q893 L911 | Y886-V889 WeakPolarHBondContact O-CB 3.44Å; Y886-V889 PolarHBondContact O-N 2.76Å; T887-V889 PolarHBondContact O-N 3.42Å; V889-Q893 PolarHBondContact O-N 3.49Å; V889-L911 WeakPolarHBondContact CG1-O 3.32Å |
| 890 | F | 88.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 174.9 | -73.5 | -103.4 | 0 | 0 | 0 | 111 | L874 F878 Y886 T887 Q893 E894 I895 F900 L903 L908 L911 I913 M922 | L874-F890 HydrophobicContact CD2-CB 3.94Å; L874-F890 HydrophobicContact CD2-CD1 4.02Å; L874-F890 HydrophobicContact CD2-CG 4.18Å; F878-F890 HydrophobicContact CD2-CD2 4.49Å; F878-F890 HydrophobicContact CE2-CB 4.11Å; F878-F890 HydrophobicContact CE2-CD1 4.16Å; F878-F890 AromaticContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CD2 3.42Å; F878-F890 VanDerWaalsContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CE1 4.47Å; F878-F890 AromaticContact CE2-CE2 3.77Å; F878-F890 HydrophobicContact CE2-CE2 3.77Å; F878-F890 AromaticContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CZ 4.28Å; F878-F890 AromaticContact CZ-CD1 4Å; F878-F890 HydrophobicContact CZ-CD1 4Å; F878-F890 AromaticContact CZ-CD2 3.79Å; F878-F890 HydrophobicContact CZ-CD2 3.79Å; F878-F890 AromaticContact CZ-CE1 3.94Å; F878-F890 HydrophobicContact CZ-CE1 3.94Å; F878-F890 AromaticContact CZ-CE2 3.71Å; F878-F890 HydrophobicContact CZ-CE2 3.71Å; F878-F890 AromaticContact CZ-CG 3.93Å; F878-F890 HydrophobicContact CZ-CG 3.93Å; F878-F890 AromaticContact CZ-CZ 3.78Å; F878-F890 HydrophobicContact CZ-CZ 3.78Å; Y886-F890 WeakPolarHBondContact O-CD2 3.39Å; Y886-F890 PolarHBondContact O-N 2.92Å; T887-F890 PolarHBondContact O-N 3.48Å; T887-F890 VanDerWaalsContact O-N 3.17Å; F890-Q893 CarbonylContact O-C 3.28Å; F890-Q893 PolarHBondContact O-N 3.08Å; F890-E894 PolarHBondContact O-N 3.5Å; F890-I895 HydrophobicContact CB-CB 4.24Å; F890-I895 HydrophobicContact CD1-CB 3.96Å; F890-I895 HydrophobicContact CD1-CD1 3.91Å; F890-I895 HydrophobicContact CD1-CG1 4.49Å; F890-I895 HydrophobicContact CD1-CG2 3.86Å; F890-I895 HydrophobicContact CE1-CD1 4.43Å; F890-I895 PolarHBondContact O-N 3.34Å; F890-F900 HydrophobicContact CD1-CD2 4.25Å; F890-F900 AromaticContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CE2 4.12Å; F890-F900 HydrophobicContact CZ-CD2 4.37Å; F890-F900 HydrophobicContact CZ-CE2 4.34Å; F890-L903 HydrophobicContact CD1-CD1 4.46Å; F890-L903 HydrophobicContact CE1-CD1 3.67Å; F890-L908 HydrophobicContact CE1-CD2 4.19Å; F890-L908 HydrophobicContact CZ-CD2 3.77Å; F890-L911 HydrophobicContact CD1-CD1 4.29Å; F890-L911 HydrophobicContact CE1-CD1 3.71Å; F890-L911 HydrophobicContact CZ-CD1 4.03Å; F890-I913 HydrophobicContact CE2-CD1 3.46Å; F890-I913 VanDerWaalsContact CE2-CD1 3.46Å; F890-I913 HydrophobicContact CZ-CD1 3.49Å; F890-I913 VanDerWaalsContact CZ-CD1 3.49Å; F890-M922 HydrophobicContact CE2-CE 3.76Å; F890-M922 HydrophobicContact CZ-CE 4.03Å; F890-M922 HydrophobicContact CZ-SD 4.26Å |
| 891 | Q | 84.3 | Confident | 86.3 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.2 | -36.3 | 178 | -170.4 | 170 | -0.6 | 0 | 0 | 112.5 | T887 D888 Q893 E894 | T887-Q891 WeakPolarHBondContact O-CB 3.39Å; T887-Q891 PolarHBondContact O-N 2.97Å; D888-Q891 PolarHBondContact O-N 3.36Å; Q891-Q893 PolarHBondContact O-N 3.05Å; Q891-E894 PolarHBondContact O-N 3.26Å |
| 892 | Q | 84.6 | Confident | 86.3 | Confident | 159 Ų | 159 | 67.7 Ų | 67.7 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.9 | 173.1 | -77.5 | 168.6 | 13.8 | 0 | 0 | 113.9 | D888 | D888-Q892 VanDerWaalsContact O-CB 3.28Å; D888-Q892 WeakPolarHBondContact O-CB 3.38Å; D888-Q892 WeakPolarHBondContact O-CG 3.41Å; D888-Q892 PolarHBondContact O-N 3.37Å |
| 893 | Q | 84.4 | Confident | 86.6 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 16.8 | 176.6 | -61.6 | -169.2 | 48.6 | 0 | 0 | 112.3 | V889 F890 Q891 I895 | V889-Q893 PolarHBondContact O-N 3.49Å; F890-Q893 CarbonylContact O-C 3.28Å; F890-Q893 PolarHBondContact O-N 3.08Å; Q891-Q893 PolarHBondContact O-N 3.05Å; Q893-I895 HydrophobicContact CB-CD1 4.07Å; Q893-I895 HydrophobicContact CB-CG1 3.97Å; Q893-I895 WeakPolarHBondContact O-CG1 3.4Å; Q893-I895 PolarHBondContact O-N 3.08Å |
| 894 | E | 86.8 | Confident | 86.7 | Confident | 180 Ų | 180 | 68.8 Ų | 68.8 | 84% | 0.841 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 24.2 | 177.4 | -54 | -167.2 | 148.3 | 0 | 0 | 114.9 | F890 Q891 D896 | F890-E894 PolarHBondContact O-N 3.5Å; Q891-E894 PolarHBondContact O-N 3.26Å; E894-D896 PolarHBondContact O-N 3.46Å; E894-D896 VanDerWaalsContact O-N 3.08Å |
| 895 | I | 86.4 | Confident | 87 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | trans | -77.1 | 103.3 | -175.7 | -53.7 | 179.8 | 0 | 0 | 0 | 109.7 | L874 F890 Q893 T899 F900 L903 L911 | L874-I895 VanDerWaalsContact CD2-O 3.25Å; L874-I895 WeakPolarHBondContact CD2-O 3.46Å; F890-I895 HydrophobicContact CB-CB 4.24Å; F890-I895 HydrophobicContact CD1-CB 3.96Å; F890-I895 HydrophobicContact CD1-CD1 3.91Å; F890-I895 HydrophobicContact CD1-CG1 4.49Å; F890-I895 HydrophobicContact CD1-CG2 3.86Å; F890-I895 HydrophobicContact CE1-CD1 4.43Å; F890-I895 PolarHBondContact O-N 3.34Å; Q893-I895 HydrophobicContact CB-CD1 4.07Å; Q893-I895 HydrophobicContact CB-CG1 3.97Å; Q893-I895 WeakPolarHBondContact O-CG1 3.4Å; Q893-I895 PolarHBondContact O-N 3.08Å; I895-T899 HydrophobicContact CG2-CG2 4Å; I895-F900 HydrophobicContact CG2-CB 4.37Å; I895-L903 HydrophobicContact CG2-CD1 4.35Å; I895-L911 HydrophobicContact CD1-CD1 3.5Å; I895-L911 HydrophobicContact CD1-CD2 3.52Å; I895-L911 HydrophobicContact CD1-CG 4.17Å | ||
| 896 | D | 84.1 | Confident | 87.1 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | trans | -73.8 | 174.2 | 175.6 | 96.1 | -62 | 0 | 0 | 0 | 112.5 | E894 Q898 T899 F900 | E894-D896 PolarHBondContact O-N 3.46Å; E894-D896 VanDerWaalsContact O-N 3.08Å; D896-Q898 VanDerWaalsContact C-N 3.28Å; D896-Q898 VanDerWaalsContact CG-N 3.29Å; D896-Q898 PolarHBondContact O-N 3.33Å; D896-Q898 PolarHBondContact OD1-N 2.81Å; D896-Q898 WeakPolarHBondContact OD2-CB 3.48Å; D896-Q898 PolarHBondContact OD2-N 2.95Å; D896-T899 PolarHBondContact O-N 2.96Å; D896-T899 VanDerWaalsContact OD1-CB 3.24Å; D896-T899 WeakPolarHBondContact OD1-CB 3.42Å; D896-T899 PolarHBondContact OD1-N 3.22Å; D896-T899 PolarHBondContact OD1-OG1 3Å; D896-F900 WeakPolarHBondContact O-CB 3.42Å; D896-F900 PolarHBondContact O-N 3.21Å | ||
| 897 | L | 85.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 68 Ų | 68 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 178.7 | -178.2 | 61.8 | 0 | 0 | 0 | 112.8 | S872 L874 L877 F900 L901 | S872-L897 WeakPolarHBondContact O-CD2 3.2Å; L874-L897 HydrophobicContact CD1-CD1 4.02Å; L877-L897 HydrophobicContact CD2-CD1 4.01Å; L897-F900 HydrophobicContact CD1-CD1 4.31Å; L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.36Å |
| 898 | Q | 81.1 | Confident | 87.4 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.2 | -41.9 | 179 | -174.9 | 53.3 | 37.8 | 0 | 0 | 111.8 | D896 L901 R933 | D896-Q898 VanDerWaalsContact C-N 3.28Å; D896-Q898 VanDerWaalsContact CG-N 3.29Å; D896-Q898 PolarHBondContact O-N 3.33Å; D896-Q898 PolarHBondContact OD1-N 2.81Å; D896-Q898 WeakPolarHBondContact OD2-CB 3.48Å; D896-Q898 PolarHBondContact OD2-N 2.95Å; Q898-L901 PolarHBondContact O-N 3.27Å; Q898-R933 VanDerWaalsContact OE1-CZ 3.32Å |
| 899 | T | 85.7 | Confident | 87.6 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 174.7 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | I895 D896 L901 T902 | I895-T899 HydrophobicContact CG2-CG2 4Å; D896-T899 PolarHBondContact O-N 2.96Å; D896-T899 VanDerWaalsContact OD1-CB 3.24Å; D896-T899 WeakPolarHBondContact OD1-CB 3.42Å; D896-T899 PolarHBondContact OD1-N 3.22Å; D896-T899 PolarHBondContact OD1-OG1 3Å; T899-L901 PolarHBondContact O-N 3.41Å; T899-T902 PolarHBondContact O-N 3.43Å; T899-T902 PolarHBondContact O-OG1 2.99Å |
| 900 | F | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.6 | -36.3 | 172.2 | 175.4 | -103 | 0 | 0 | 0 | 112.5 | L874 L877 F878 F890 I895 D896 L897 T902 L903 M922 I926 | L874-F900 HydrophobicContact CD1-CB 3.84Å; L874-F900 HydrophobicContact CD1-CD1 3.65Å; L874-F900 HydrophobicContact CD1-CD2 3.96Å; L874-F900 HydrophobicContact CD1-CE1 4.22Å; L874-F900 HydrophobicContact CD1-CG 3.51Å; L874-F900 HydrophobicContact CD2-CB 4.12Å; L874-F900 HydrophobicContact CD2-CG 4.41Å; L877-F900 HydrophobicContact CD2-CD1 4.27Å; L877-F900 HydrophobicContact CD2-CE1 3.87Å; F878-F900 HydrophobicContact CE1-CD2 4.11Å; F878-F900 HydrophobicContact CE1-CE1 4.38Å; F878-F900 AromaticContact CE1-CE2 3.52Å; F878-F900 HydrophobicContact CE1-CE2 3.52Å; F878-F900 AromaticContact CE1-CZ 3.68Å; F878-F900 HydrophobicContact CE1-CZ 3.68Å; F878-F900 AromaticContact CZ-CD2 3.85Å; F878-F900 HydrophobicContact CZ-CD2 3.85Å; F878-F900 AromaticContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CZ 4.27Å; F890-F900 HydrophobicContact CD1-CD2 4.25Å; F890-F900 AromaticContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CE2 4.12Å; F890-F900 HydrophobicContact CZ-CD2 4.37Å; F890-F900 HydrophobicContact CZ-CE2 4.34Å; I895-F900 HydrophobicContact CG2-CB 4.37Å; D896-F900 WeakPolarHBondContact O-CB 3.42Å; D896-F900 PolarHBondContact O-N 3.21Å; L897-F900 HydrophobicContact CD1-CD1 4.31Å; F900-T902 PolarHBondContact O-N 3.19Å; F900-L903 HydrophobicContact CD2-CD1 4.05Å; F900-L903 PolarHBondContact O-N 3.3Å; F900-M922 HydrophobicContact CE2-CB 4.08Å; F900-M922 HydrophobicContact CE2-CG 4.04Å; F900-M922 HydrophobicContact CZ-CB 3.98Å; F900-M922 HydrophobicContact CZ-CG 4.09Å; F900-I926 HydrophobicContact CD1-CG1 4.01Å; F900-I926 HydrophobicContact CD2-CD1 4.45Å; F900-I926 HydrophobicContact CE1-CD1 4.1Å; F900-I926 HydrophobicContact CE1-CG1 3.48Å; F900-I926 VanDerWaalsContact CE1-CG1 3.48Å; F900-I926 HydrophobicContact CE2-CD1 3.98Å; F900-I926 HydrophobicContact CE2-CG1 4.28Å; F900-I926 HydrophobicContact CZ-CD1 3.78Å; F900-I926 HydrophobicContact CZ-CG1 3.63Å; F900-I926 WeakPolarHBondContact O-CD1 3.49Å; F900-I926 WeakPolarHBondContact O-CG1 3.23Å |
| 901 | L | 88.4 | Confident | 87.4 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -8 | 178.4 | -70.4 | 175.9 | 0 | 0 | 0 | 114.8 | L897 Q898 T899 I926 L929 N930 | L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.36Å; Q898-L901 PolarHBondContact O-N 3.27Å; T899-L901 PolarHBondContact O-N 3.41Å; L901-I926 WeakPolarHBondContact O-CG2 3.43Å; L901-L929 HydrophobicContact CD2-CB 3.48Å; L901-L929 VanDerWaalsContact CD2-CB 3.48Å; L901-L929 HydrophobicContact CD2-CD1 3.78Å; L901-L929 HydrophobicContact CD2-CG 4.26Å; L901-N930 PolarHBondContact O-ND2 3.29Å |
| 902 | T | 86.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -7.4 | 174.9 | 43 | 0 | 0 | 0 | 0 | 114.3 | T899 F900 | T899-T902 PolarHBondContact O-N 3.43Å; T899-T902 PolarHBondContact O-OG1 2.99Å; F900-T902 PolarHBondContact O-N 3.19Å |
| 903 | L | 89.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | trans | -72.5 | 141.1 | -173.5 | -59.9 | 176.8 | 0 | 0 | 0 | 114.3 | F890 I895 F900 D907 L908 L911 I926 | F890-L903 HydrophobicContact CD1-CD1 4.46Å; F890-L903 HydrophobicContact CE1-CD1 3.67Å; I895-L903 HydrophobicContact CG2-CD1 4.35Å; F900-L903 HydrophobicContact CD2-CD1 4.05Å; F900-L903 PolarHBondContact O-N 3.3Å; L903-D907 WeakPolarHBondContact CA-OD2 3.49Å; L903-D907 HydrophobicContact CD2-CB 3.93Å; L903-L908 HydrophobicContact CB-CD2 4.38Å; L903-L908 HydrophobicContact CB-CG 4.38Å; L903-L908 HydrophobicContact CD1-CD2 3.96Å; L903-L911 HydrophobicContact CD1-CD1 3.79Å; L903-I926 HydrophobicContact CB-CD1 4.32Å | ||
| 904 | T | 90.6 | Very high | 87.7 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -99.3 | 174.5 | 177.4 | 78.5 | 0 | 0 | 0 | 0 | 112.2 | Q906 D907 L908 | T904-Q906 PolarHBondContact O-N 3.32Å; T904-Q906 PolarHBondContact OG1-N 3.08Å; T904-Q906 VanDerWaalsContact OG1-N 3.16Å; T904-D907 WeakPolarHBondContact CB-OD2 3.43Å; T904-D907 PolarHBondContact N-OD2 3.07Å; T904-D907 PolarHBondContact OG1-N 2.85Å; T904-D907 PolarHBondContact OG1-OD1 2.98Å; T904-D907 PolarHBondContact OG1-OD2 3.39Å; T904-D907 VanDerWaalsContact OG1-OD2 3.06Å; T904-L908 WeakPolarHBondContact O-CD1 3.47Å; T904-L908 VanDerWaalsContact O-CG 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.42Å; T904-L908 PolarHBondContact O-N 3.49Å | ||
| 905 | D | 91.9 | Very high | 87.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.6 | 173.1 | -174.8 | 65.4 | 0 | 0 | 0 | 112.9 | K909 R919 L923 | D905-K909 WeakPolarHBondContact O-CD 3.48Å; D905-K909 WeakPolarHBondContact O-CE 3.47Å; D905-K909 WeakPolarHBondContact O-CG 3.45Å; D905-K909 PolarHBondContact O-NZ 2.69Å; D905-K909 WeakPolarHBondContact OD2-CE 3.43Å; D905-K909 IonicContact OD2-NZ 3.7Å; D905-K909 PolarHBondContact OD2-NZ 2.85Å; D905-R919 VanDerWaalsContact CG-NH1 3.27Å; D905-R919 IonicContact OD1-CZ 3.08Å; D905-R919 IonicContact OD1-NH1 2.69Å; D905-R919 PolarHBondContact OD1-NH1 3Å; D905-R919 IonicContact OD2-NH1 3.75Å; D905-R919 PolarHBondContact OD2-NH1 3.42Å; D905-R919 VanDerWaalsContact OD2-NH1 3.1Å; D905-L923 HydrophobicContact CB-CD1 3.73Å |
| 906 | Q | 89 | Confident | 87.9 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -53.6 | 179.7 | -174.1 | 56.6 | 25.1 | 0 | 0 | 110.8 | T904 L908 K909 E910 | T904-Q906 PolarHBondContact O-N 3.32Å; T904-Q906 PolarHBondContact OG1-N 3.08Å; T904-Q906 VanDerWaalsContact OG1-N 3.16Å; Q906-L908 PolarHBondContact O-N 3.09Å; Q906-K909 WeakPolarHBondContact O-CA 3.33Å; Q906-K909 VanDerWaalsContact O-CB 3.31Å; Q906-K909 WeakPolarHBondContact O-CB 3.42Å; Q906-K909 PolarHBondContact O-N 3.47Å; Q906-E910 WeakPolarHBondContact CG-OE1 3.2Å; Q906-E910 PolarHBondContact NE2-OE1 3.34Å; Q906-E910 PolarHBondContact O-N 3.19Å |
| 907 | D | 91.9 | Very high | 88 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.2 | -44.4 | 177.9 | -31.5 | -27.9 | 0 | 0 | 0 | 110.1 | L903 T904 K909 E910 L911 | L903-D907 WeakPolarHBondContact CA-OD2 3.49Å; L903-D907 HydrophobicContact CD2-CB 3.93Å; T904-D907 WeakPolarHBondContact CB-OD2 3.43Å; T904-D907 PolarHBondContact N-OD2 3.07Å; T904-D907 PolarHBondContact OG1-N 2.85Å; T904-D907 PolarHBondContact OG1-OD1 2.98Å; T904-D907 PolarHBondContact OG1-OD2 3.39Å; T904-D907 VanDerWaalsContact OG1-OD2 3.06Å; D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.12Å; D907-E910 PolarHBondContact O-N 2.84Å; D907-L911 VanDerWaalsContact O-CG 3.31Å; D907-L911 WeakPolarHBondContact O-CG 3.39Å; D907-L911 PolarHBondContact O-N 3.47Å |
| 908 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -21.5 | 177.1 | -64.5 | 168.4 | 0 | 0 | 0 | 114 | F890 L903 T904 Q906 L911 I913 R919 M922 L923 | F890-L908 HydrophobicContact CE1-CD2 4.19Å; F890-L908 HydrophobicContact CZ-CD2 3.77Å; L903-L908 HydrophobicContact CB-CD2 4.38Å; L903-L908 HydrophobicContact CB-CG 4.38Å; L903-L908 HydrophobicContact CD1-CD2 3.96Å; T904-L908 WeakPolarHBondContact O-CD1 3.47Å; T904-L908 VanDerWaalsContact O-CG 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.42Å; T904-L908 PolarHBondContact O-N 3.49Å; Q906-L908 PolarHBondContact O-N 3.09Å; L908-L911 HydrophobicContact CD2-CD1 4.36Å; L908-I913 HydrophobicContact CB-CD1 4.38Å; L908-I913 HydrophobicContact CD2-CD1 3.88Å; L908-I913 WeakPolarHBondContact O-CA 3.41Å; L908-I913 WeakPolarHBondContact O-CB 3.48Å; L908-I913 VanDerWaalsContact O-CG1 3.28Å; L908-I913 WeakPolarHBondContact O-CG1 3.42Å; L908-I913 PolarHBondContact O-N 2.72Å; L908-I913 VanDerWaalsContact O-N 3.1Å; L908-R919 HydrophobicContact CB-CG 3.78Å; L908-R919 HydrophobicContact CD1-CB 4.4Å; L908-R919 HydrophobicContact CD1-CG 4.41Å; L908-M922 HydrophobicContact CD1-CB 4.1Å; L908-M922 HydrophobicContact CD2-SD 4.23Å; L908-L923 HydrophobicContact CD1-CD1 4.34Å; L908-L923 HydrophobicContact CD1-CD2 3.74Å; L908-L923 HydrophobicContact CD1-CG 3.73Å |
| 909 | K | 87.9 | Confident | 88.7 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -77.6 | -39.8 | 170.6 | -63 | 157.3 | -161.3 | 144.9 | 0 | 111.3 | D905 Q906 D907 L911 G912 | D905-K909 WeakPolarHBondContact O-CD 3.48Å; D905-K909 WeakPolarHBondContact O-CE 3.47Å; D905-K909 WeakPolarHBondContact O-CG 3.45Å; D905-K909 PolarHBondContact O-NZ 2.69Å; D905-K909 WeakPolarHBondContact OD2-CE 3.43Å; D905-K909 IonicContact OD2-NZ 3.7Å; D905-K909 PolarHBondContact OD2-NZ 2.85Å; Q906-K909 WeakPolarHBondContact O-CA 3.33Å; Q906-K909 VanDerWaalsContact O-CB 3.31Å; Q906-K909 WeakPolarHBondContact O-CB 3.42Å; Q906-K909 PolarHBondContact O-N 3.47Å; D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.12Å; K909-L911 VanDerWaalsContact C-N 3.31Å; K909-G912 WeakPolarHBondContact O-CA 3.17Å; K909-G912 PolarHBondContact O-N 2.82Å |
| 910 | E | 88.8 | Confident | 89 | Confident | 138 Ų | 138 | 55 Ų | 55 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.2 | -31.6 | -179.3 | -69 | 167.9 | -155.4 | 0 | 0 | 110.8 | Q906 D907 G912 | Q906-E910 WeakPolarHBondContact CG-OE1 3.2Å; Q906-E910 PolarHBondContact NE2-OE1 3.34Å; Q906-E910 PolarHBondContact O-N 3.19Å; D907-E910 PolarHBondContact O-N 2.84Å; E910-G912 PolarHBondContact O-N 2.66Å |
| 911 | L | 86.4 | Confident | 88.9 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 13.6 | 161.9 | -58 | -179.2 | 0 | 0 | 0 | 114.2 | V889 F890 I895 L903 D907 L908 K909 I913 | V889-L911 WeakPolarHBondContact CG1-O 3.32Å; F890-L911 HydrophobicContact CD1-CD1 4.29Å; F890-L911 HydrophobicContact CE1-CD1 3.71Å; F890-L911 HydrophobicContact CZ-CD1 4.03Å; I895-L911 HydrophobicContact CD1-CD1 3.5Å; I895-L911 HydrophobicContact CD1-CD2 3.52Å; I895-L911 HydrophobicContact CD1-CG 4.17Å; L903-L911 HydrophobicContact CD1-CD1 3.79Å; D907-L911 VanDerWaalsContact O-CG 3.31Å; D907-L911 WeakPolarHBondContact O-CG 3.39Å; D907-L911 PolarHBondContact O-N 3.47Å; L908-L911 HydrophobicContact CD2-CD1 4.36Å; K909-L911 VanDerWaalsContact C-N 3.31Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 HydrophobicContact CB-CD1 4.48Å; L911-I913 HydrophobicContact CB-CG1 4.35Å; L911-I913 PolarHBondContact O-N 3.37Å |
| 912 | G | 84.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | K909 E910 T914 | K909-G912 WeakPolarHBondContact O-CA 3.17Å; K909-G912 PolarHBondContact O-N 2.82Å; E910-G912 PolarHBondContact O-N 2.66Å; G912-T914 PolarHBondContact O-N 3.11Å |
| 913 | I | 89.8 | Confident | 89.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -83.9 | 60.7 | -175.2 | -39 | 175.2 | 0 | 0 | 0 | 110.5 | Y886 F890 L908 L911 T915 A918 R919 M922 | Y886-I913 HydrophobicContact CD1-CG1 4.32Å; Y886-I913 HydrophobicContact CD1-CG2 4.09Å; Y886-I913 HydrophobicContact CE1-CG2 3.78Å; F890-I913 HydrophobicContact CE2-CD1 3.46Å; F890-I913 VanDerWaalsContact CE2-CD1 3.46Å; F890-I913 HydrophobicContact CZ-CD1 3.49Å; F890-I913 VanDerWaalsContact CZ-CD1 3.49Å; L908-I913 HydrophobicContact CB-CD1 4.38Å; L908-I913 HydrophobicContact CD2-CD1 3.88Å; L908-I913 WeakPolarHBondContact O-CA 3.41Å; L908-I913 WeakPolarHBondContact O-CB 3.48Å; L908-I913 VanDerWaalsContact O-CG1 3.28Å; L908-I913 WeakPolarHBondContact O-CG1 3.42Å; L908-I913 PolarHBondContact O-N 2.72Å; L908-I913 VanDerWaalsContact O-N 3.1Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 HydrophobicContact CB-CD1 4.48Å; L911-I913 HydrophobicContact CB-CG1 4.35Å; L911-I913 PolarHBondContact O-N 3.37Å; I913-T915 PolarHBondContact O-N 2.83Å; I913-T915 VanDerWaalsContact O-N 3.12Å; I913-A918 HydrophobicContact CG2-CB 3.7Å; I913-R919 HydrophobicContact CB-CG 4.03Å; I913-R919 HydrophobicContact CG2-CG 3.97Å; I913-R919 WeakPolarHBondContact O-CD 3.41Å; I913-R919 VanDerWaalsContact O-CG 3.29Å; I913-R919 WeakPolarHBondContact O-CG 3.45Å; I913-R919 PolarHBondContact O-NE 3.26Å; I913-M922 HydrophobicContact CD1-CE 4.04Å; I913-M922 HydrophobicContact CD1-SD 3.68Å | ||
| 914 | T | 84.8 | Confident | 89.3 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | trans | -50.9 | -40.6 | -178.1 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | G912 F916 R919 | G912-T914 PolarHBondContact O-N 3.11Å; T914-F916 PolarHBondContact O-N 3.47Å; T914-F916 VanDerWaalsContact O-N 3.08Å; T914-R919 PolarHBondContact O-NH2 3.18Å | ||
| 915 | T | 90.5 | Very high | 89.2 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | trans | -62.1 | 103.6 | -178.9 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | Y886 I913 G917 A918 R919 | Y886-T915 PolarHBondContact OH-OG1 2.83Å; I913-T915 PolarHBondContact O-N 2.83Å; I913-T915 VanDerWaalsContact O-N 3.12Å; T915-G917 VanDerWaalsContact C-N 3.26Å; T915-G917 PolarHBondContact O-N 2.99Å; T915-G917 VanDerWaalsContact O-N 3.13Å; T915-A918 WeakPolarHBondContact O-CB 3.28Å; T915-A918 PolarHBondContact O-N 3.47Å; T915-R919 PolarHBondContact O-N 3.36Å | ||
| 916 | F | 86.3 | Confident | 89.1 | Confident | 122 Ų | 122 | 55.6 Ų | 55.6 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -48.8 | -39.8 | 179.2 | 179.7 | -111.4 | 0 | 0 | 0 | 114.5 | T914 A918 R919 R920 | T914-F916 PolarHBondContact O-N 3.47Å; T914-F916 VanDerWaalsContact O-N 3.08Å; F916-A918 VanDerWaalsContact C-N 3.26Å; F916-A918 PolarHBondContact O-N 2.67Å; F916-R919 PolarHBondContact O-N 2.77Å; F916-R920 WeakPolarHBondContact O-CB 3.47Å; F916-R920 PolarHBondContact O-N 3.14Å |
| 917 | G | 86.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -22.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T915 K921 | T915-G917 VanDerWaalsContact C-N 3.26Å; T915-G917 PolarHBondContact O-N 2.99Å; T915-G917 VanDerWaalsContact O-N 3.13Å; G917-K921 WeakPolarHBondContact O-CG 3.43Å |
| 918 | A | 88.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.3 | -50 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L883 Y886 I913 T915 F916 R920 K921 M922 | L883-A918 HydrophobicContact CD2-CB 3.94Å; Y886-A918 HydrophobicContact CD2-CB 4.4Å; Y886-A918 HydrophobicContact CE2-CB 3.6Å; I913-A918 HydrophobicContact CG2-CB 3.7Å; T915-A918 WeakPolarHBondContact O-CB 3.28Å; T915-A918 PolarHBondContact O-N 3.47Å; F916-A918 VanDerWaalsContact C-N 3.26Å; F916-A918 PolarHBondContact O-N 2.67Å; A918-R920 VanDerWaalsContact C-N 3.34Å; A918-R920 PolarHBondContact O-N 2.82Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.23Å; A918-M922 PolarHBondContact O-N 3.43Å |
| 919 | R | 93 | Very high | 88.3 | Confident | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.5 | -48.2 | 175.9 | -70.6 | -169.4 | -85.9 | 122.1 | -7.4 | 112.3 | D905 L908 I913 T914 T915 F916 K921 M922 L923 | D905-R919 VanDerWaalsContact CG-NH1 3.27Å; D905-R919 IonicContact OD1-CZ 3.08Å; D905-R919 IonicContact OD1-NH1 2.69Å; D905-R919 PolarHBondContact OD1-NH1 3Å; D905-R919 IonicContact OD2-NH1 3.75Å; D905-R919 PolarHBondContact OD2-NH1 3.42Å; D905-R919 VanDerWaalsContact OD2-NH1 3.1Å; L908-R919 HydrophobicContact CB-CG 3.78Å; L908-R919 HydrophobicContact CD1-CB 4.4Å; L908-R919 HydrophobicContact CD1-CG 4.41Å; I913-R919 HydrophobicContact CB-CG 4.03Å; I913-R919 HydrophobicContact CG2-CG 3.97Å; I913-R919 WeakPolarHBondContact O-CD 3.41Å; I913-R919 VanDerWaalsContact O-CG 3.29Å; I913-R919 WeakPolarHBondContact O-CG 3.45Å; I913-R919 PolarHBondContact O-NE 3.26Å; T914-R919 PolarHBondContact O-NH2 3.18Å; T915-R919 PolarHBondContact O-N 3.36Å; F916-R919 PolarHBondContact O-N 2.77Å; R919-K921 VanDerWaalsContact C-N 3.27Å; R919-K921 PolarHBondContact O-N 3.18Å; R919-M922 PolarHBondContact O-N 3.37Å; R919-M922 VanDerWaalsContact O-N 3.11Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 3.48Å |
| 920 | R | 90.3 | Very high | 88 | Confident | 100 Ų | 100 | 53.6 Ų | 53.6 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.4 | -33.8 | 178 | -172.7 | 171.5 | 179.5 | 159.7 | 1.3 | 113.2 | F916 A918 L924 | F916-R920 WeakPolarHBondContact O-CB 3.47Å; F916-R920 PolarHBondContact O-N 3.14Å; A918-R920 VanDerWaalsContact C-N 3.34Å; A918-R920 PolarHBondContact O-N 2.82Å; R920-L924 HydrophobicContact CG-CD1 4.37Å; R920-L924 WeakPolarHBondContact O-CD1 3.34Å; R920-L924 VanDerWaalsContact O-CG 3.23Å; R920-L924 WeakPolarHBondContact O-CG 3.42Å; R920-L924 PolarHBondContact O-N 3.45Å |
| 921 | K | 90.1 | Very high | 87.6 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.5 | -43 | 174 | -79.6 | 177.4 | 165 | -165 | 0 | 112.1 | L881 L883 G917 A918 R919 L924 A925 | L881-K921 PolarHBondContact O-NZ 3.23Å; L883-K921 HydrophobicContact CD1-CB 3.89Å; L883-K921 HydrophobicContact CD1-CD 4.31Å; L883-K921 HydrophobicContact CD2-CD 3.99Å; L883-K921 HydrophobicContact CG-CD 4.26Å; G917-K921 WeakPolarHBondContact O-CG 3.43Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.23Å; R919-K921 VanDerWaalsContact C-N 3.27Å; R919-K921 PolarHBondContact O-N 3.18Å; K921-L924 PolarHBondContact O-N 3.47Å; K921-A925 PolarHBondContact O-N 3.17Å; K921-A925 VanDerWaalsContact O-N 3.12Å |
| 922 | M | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 177.6 | -76.5 | 152.1 | 167.3 | 0 | 0 | 111.4 | F878 L883 Y886 F890 F900 L908 I913 A918 R919 L924 A925 I926 | F878-M922 HydrophobicContact CD1-CE 4.15Å; F878-M922 HydrophobicContact CE1-CE 3.77Å; F878-M922 HydrophobicContact CE1-CG 4.15Å; F878-M922 HydrophobicContact CE2-CE 4.41Å; F878-M922 HydrophobicContact CZ-CE 3.9Å; L883-M922 HydrophobicContact CB-CE 4.33Å; L883-M922 HydrophobicContact CD1-CE 3.87Å; L883-M922 HydrophobicContact CD1-CG 3.73Å; L883-M922 HydrophobicContact CD1-SD 4.26Å; Y886-M922 HydrophobicContact CD2-CE 4.17Å; Y886-M922 HydrophobicContact CG-CE 4.21Å; F890-M922 HydrophobicContact CE2-CE 3.76Å; F890-M922 HydrophobicContact CZ-CE 4.03Å; F890-M922 HydrophobicContact CZ-SD 4.26Å; F900-M922 HydrophobicContact CE2-CB 4.08Å; F900-M922 HydrophobicContact CE2-CG 4.04Å; F900-M922 HydrophobicContact CZ-CB 3.98Å; F900-M922 HydrophobicContact CZ-CG 4.09Å; L908-M922 HydrophobicContact CD1-CB 4.1Å; L908-M922 HydrophobicContact CD2-SD 4.23Å; I913-M922 HydrophobicContact CD1-CE 4.04Å; I913-M922 HydrophobicContact CD1-SD 3.68Å; A918-M922 PolarHBondContact O-N 3.43Å; R919-M922 PolarHBondContact O-N 3.37Å; R919-M922 VanDerWaalsContact O-N 3.11Å; M922-L924 VanDerWaalsContact C-N 3.31Å; M922-L924 PolarHBondContact O-N 3Å; M922-A925 PolarHBondContact O-N 3.33Å; M922-A925 VanDerWaalsContact O-N 3.11Å; M922-I926 VanDerWaalsContact O-CG1 3.32Å; M922-I926 WeakPolarHBondContact O-CG1 3.42Å; M922-I926 PolarHBondContact O-N 2.87Å |
| 923 | L | 91.8 | Very high | 85.4 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 178.7 | -65.9 | 166 | 0 | 0 | 0 | 113.2 | D905 L908 R919 S927 | D905-L923 HydrophobicContact CB-CD1 3.73Å; L908-L923 HydrophobicContact CD1-CD1 4.34Å; L908-L923 HydrophobicContact CD1-CD2 3.74Å; L908-L923 HydrophobicContact CD1-CG 3.73Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 3.48Å; L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.05Å |
| 924 | L | 89.3 | Confident | 83.8 | Confident | 110 Ų | 110 | 67.9 Ų | 67.9 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 173.9 | -75.1 | 169.9 | 0 | 0 | 0 | 111.9 | R920 K921 M922 S927 E928 | R920-L924 HydrophobicContact CG-CD1 4.37Å; R920-L924 WeakPolarHBondContact O-CD1 3.34Å; R920-L924 VanDerWaalsContact O-CG 3.23Å; R920-L924 WeakPolarHBondContact O-CG 3.42Å; R920-L924 PolarHBondContact O-N 3.45Å; K921-L924 PolarHBondContact O-N 3.47Å; M922-L924 VanDerWaalsContact C-N 3.31Å; M922-L924 PolarHBondContact O-N 3Å; L924-S927 PolarHBondContact O-N 3.16Å; L924-E928 PolarHBondContact O-N 3Å |
| 925 | A | 88.4 | Confident | 82 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L881 K921 M922 S927 E928 L929 | L881-A925 HydrophobicContact CD1-CB 3.77Å; L881-A925 HydrophobicContact CD2-CB 4.42Å; K921-A925 PolarHBondContact O-N 3.17Å; K921-A925 VanDerWaalsContact O-N 3.12Å; M922-A925 PolarHBondContact O-N 3.33Å; M922-A925 VanDerWaalsContact O-N 3.11Å; A925-S927 PolarHBondContact O-N 3.28Å; A925-E928 PolarHBondContact O-N 3.42Å; A925-L929 WeakPolarHBondContact O-CB 3.43Å; A925-L929 VanDerWaalsContact O-CG 3.31Å; A925-L929 WeakPolarHBondContact O-CG 3.39Å; A925-L929 PolarHBondContact O-N 3.27Å |
| 926 | I | 90.1 | Very high | 79.5 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 173.2 | -67.4 | 164.1 | 0 | 0 | 0 | 110.4 | F900 L901 L903 M922 E928 L929 N930 | F900-I926 HydrophobicContact CD1-CG1 4.01Å; F900-I926 HydrophobicContact CD2-CD1 4.45Å; F900-I926 HydrophobicContact CE1-CD1 4.1Å; F900-I926 HydrophobicContact CE1-CG1 3.48Å; F900-I926 VanDerWaalsContact CE1-CG1 3.48Å; F900-I926 HydrophobicContact CE2-CD1 3.98Å; F900-I926 HydrophobicContact CE2-CG1 4.28Å; F900-I926 HydrophobicContact CZ-CD1 3.78Å; F900-I926 HydrophobicContact CZ-CG1 3.63Å; F900-I926 WeakPolarHBondContact O-CD1 3.49Å; F900-I926 WeakPolarHBondContact O-CG1 3.23Å; L901-I926 WeakPolarHBondContact O-CG2 3.43Å; L903-I926 HydrophobicContact CB-CD1 4.32Å; M922-I926 VanDerWaalsContact O-CG1 3.32Å; M922-I926 WeakPolarHBondContact O-CG1 3.42Å; M922-I926 PolarHBondContact O-N 2.87Å; I926-E928 VanDerWaalsContact C-N 3.34Å; I926-E928 PolarHBondContact O-N 2.86Å; I926-L929 PolarHBondContact O-N 3.38Å; I926-N930 VanDerWaalsContact O-CB 3.31Å; I926-N930 WeakPolarHBondContact O-CB 3.36Å; I926-N930 PolarHBondContact O-N 2.93Å; I926-N930 PolarHBondContact O-ND2 2.9Å |
| 927 | S | 88 | Confident | 76.9 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 177.5 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | L923 L924 A925 K931 | L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.05Å; L924-S927 PolarHBondContact O-N 3.16Å; A925-S927 PolarHBondContact O-N 3.28Å; S927-K931 VanDerWaalsContact O-CD 3.3Å; S927-K931 WeakPolarHBondContact O-CD 3.03Å; S927-K931 VanDerWaalsContact O-CG 3.27Å; S927-K931 WeakPolarHBondContact O-CG 3.41Å; S927-K931 PolarHBondContact O-N 3.33Å; S927-K931 PolarHBondContact OG-NZ 2.89Å |
| 928 | E | 84.9 | Confident | 74.2 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.4 | -46 | 178.1 | -174 | 160.6 | -143.8 | 0 | 0 | 111.9 | C863 L865 L924 A925 I926 K931 N932 | C863-E928 PolarHBondContact SG-OE2 3.02Å; L865-E928 HydrophobicContact CD1-CG 4.41Å; L924-E928 PolarHBondContact O-N 3Å; A925-E928 PolarHBondContact O-N 3.42Å; I926-E928 VanDerWaalsContact C-N 3.34Å; I926-E928 PolarHBondContact O-N 2.86Å; E928-K931 WeakPolarHBondContact O-CB 3.01Å; E928-K931 PolarHBondContact O-N 3.06Å; E928-N932 PolarHBondContact O-N 3.26Å |
| 929 | L | 82.1 | Confident | 71.4 | Confident | 23 Ų | 23 | 89 Ų | 89 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 178 | -68.4 | 169.6 | 0 | 0 | 0 | 112.2 | L865 L869 L877 L901 A925 I926 K931 N932 R933 | L865-L929 HydrophobicContact CD1-CD1 4.31Å; L865-L929 HydrophobicContact CD1-CD2 3.81Å; L865-L929 HydrophobicContact CD1-CG 3.86Å; L869-L929 HydrophobicContact CD1-CD2 3.58Å; L877-L929 HydrophobicContact CD2-CD1 3.86Å; L901-L929 HydrophobicContact CD2-CB 3.48Å; L901-L929 VanDerWaalsContact CD2-CB 3.48Å; L901-L929 HydrophobicContact CD2-CD1 3.78Å; L901-L929 HydrophobicContact CD2-CG 4.26Å; A925-L929 WeakPolarHBondContact O-CB 3.43Å; A925-L929 VanDerWaalsContact O-CG 3.31Å; A925-L929 WeakPolarHBondContact O-CG 3.39Å; A925-L929 PolarHBondContact O-N 3.27Å; I926-L929 PolarHBondContact O-N 3.38Å; L929-K931 PolarHBondContact O-N 3.4Å; L929-N932 PolarHBondContact O-N 2.89Å; L929-R933 PolarHBondContact O-N 3.45Å; L929-R933 VanDerWaalsContact O-N 3.12Å |
| 930 | N | 82 | Confident | 68.5 | Low | 46 Ų | 46 | 93.5 Ų | 93.5 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.4 | -6.1 | 175.5 | -74.6 | -25 | 0 | 0 | 0 | 114.4 | L901 I926 R934 | L901-N930 PolarHBondContact O-ND2 3.29Å; I926-N930 VanDerWaalsContact O-CB 3.31Å; I926-N930 WeakPolarHBondContact O-CB 3.36Å; I926-N930 PolarHBondContact O-N 2.93Å; I926-N930 PolarHBondContact O-ND2 2.9Å; N930-R934 PolarHBondContact O-NE 3.07Å; N930-R934 PolarHBondContact O-NH2 2.75Å; N930-R934 VanDerWaalsContact O-NH2 3.09Å |
| 931 | K | 79.4 | Confident | 65.7 | Low | 116 Ų | 116 | 96.8 Ų | 96.8 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -82.5 | -33.8 | 163.9 | -74.1 | 159.9 | -172.7 | 161.1 | 0 | 111.4 | S927 E928 L929 | S927-K931 VanDerWaalsContact O-CD 3.3Å; S927-K931 WeakPolarHBondContact O-CD 3.03Å; S927-K931 VanDerWaalsContact O-CG 3.27Å; S927-K931 WeakPolarHBondContact O-CG 3.41Å; S927-K931 PolarHBondContact O-N 3.33Å; S927-K931 PolarHBondContact OG-NZ 2.89Å; E928-K931 WeakPolarHBondContact O-CB 3.01Å; E928-K931 PolarHBondContact O-N 3.06Å; L929-K931 PolarHBondContact O-N 3.4Å |
| 932 | N | 62.7 | Low | 62.9 | Low | 56 Ų | 56 | 103.2 Ų | 103.2 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.3 | -36.7 | -179.3 | -77.2 | -13.1 | 0 | 0 | 0 | 113.5 | N866 E928 L929 R934 K935 | N866-N932 PolarHBondContact OD1-ND2 2.8Å; E928-N932 PolarHBondContact O-N 3.26Å; L929-N932 PolarHBondContact O-N 2.89Å; N932-R934 PolarHBondContact O-N 3.31Å; N932-R934 VanDerWaalsContact O-N 3.16Å; N932-K935 PolarHBondContact O-N 2.95Å |
| 933 | R | 62.8 | Low | 59.8 | Low | 149 Ų | 149 | 109 Ų | 109 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -54.6 | -33.3 | 172.8 | -97.6 | -170.5 | 173.2 | -80.3 | 5.3 | 112.9 | Q898 L929 K935 L936 | Q898-R933 VanDerWaalsContact OE1-CZ 3.32Å; L929-R933 PolarHBondContact O-N 3.45Å; L929-R933 VanDerWaalsContact O-N 3.12Å; R933-K935 VanDerWaalsContact C-N 3.3Å; R933-K935 PolarHBondContact O-N 3.41Å; R933-L936 PolarHBondContact O-N 2.66Å |
| 934 | R | 56.7 | Low | 56.8 | Low | 186 Ų | 186 | 111.7 Ų | 111.7 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -74.6 | -10.6 | 178.8 | -78.9 | 179.2 | -77.7 | 173.3 | -8.4 | 115 | N930 N932 | N930-R934 PolarHBondContact O-NE 3.07Å; N930-R934 PolarHBondContact O-NH2 2.75Å; N930-R934 VanDerWaalsContact O-NH2 3.09Å; N932-R934 PolarHBondContact O-N 3.31Å; N932-R934 VanDerWaalsContact O-N 3.16Å |
| 935 | K | 46.4 | Very low | 54 | Low | 166 Ų | 166 | 115.9 Ų | 115.9 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -90.3 | 5.7 | 174 | -68.4 | -173.6 | 172.6 | -176.3 | 0 | 113.9 | N932 R933 | N932-K935 PolarHBondContact O-N 2.95Å; R933-K935 VanDerWaalsContact C-N 3.3Å; R933-K935 PolarHBondContact O-N 3.41Å |
| 936 | L | 37.1 | Very low | 51.2 | Low | 148 Ų | 148 | 122.5 Ų | 122.5 | 78% | 0.775 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -103.3 | -2.4 | -176.3 | -139 | 78.3 | 0 | 0 | 0 | 114.3 | R933 | R933-L936 PolarHBondContact O-N 2.66Š|
| 937 | F | 32.2 | Very low | 48.3 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 88% | 0.877 | 64% | 0.642 | S | S | * | * | trans | -113.8 | 47.9 | -179.4 | -86 | -81.7 | 0 | 0 | 0 | 112 | ||||
| 938 | E | 29.9 | Very low | 45.5 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -125.8 | 121.6 | 166.7 | -169.3 | 173.4 | -177.8 | 0 | 0 | 107.6 | ||
| 939 | P | 29.8 | Very low | 42.8 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -75.9 | 133.4 | -168.9 | 28.7 | -34.1 | 0 | 0 | 0 | 111.9 | I941 | P939-I941 PolarHBondContact O-N 3.07Š| ||
| 940 | P | 33.2 | Very low | 40.4 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -77.5 | 115.6 | -176.5 | 30.2 | -34.4 | 0 | 0 | 0 | 112 | R942 | P940-R942 PolarHBondContact O-N 3.48Š| ||
| 941 | I | 30.1 | Very low | 38 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 114.8 | 170.9 | -58.4 | 175.5 | 0 | 0 | 0 | 109 | P939 | P939-I941 PolarHBondContact O-N 3.07Š| ||
| 942 | R | 31.4 | Very low | 35.7 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -88.3 | 138.8 | 167.1 | -71 | -179.2 | 174 | 173.1 | -2 | 109.7 | P940 | P940-R942 PolarHBondContact O-N 3.48Š| ||
| 943 | S | 27.7 | Very low | 34.2 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -104 | 115.4 | 169.2 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 944 | S | 28.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -153.3 | 104.5 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 945 | F | 29.5 | Very low | 31.5 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | 34.6 | 137.5 | 155.5 | -105.5 | -122.4 | 0 | 0 | 0 | 122.4 | ||||
| 946 | L | 30.2 | Very low | 30.7 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 73% | 0.728 | 83% | 0.827 | S | S | * | * | trans | 81.3 | 121.2 | 157 | -71.1 | 164.1 | 0 | 0 | 0 | 120.4 | ||||
| 947 | E | 29.2 | Very low | 30.3 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | 79.4 | 105.9 | 124.1 | -162.1 | 157.7 | -156.8 | 0 | 0 | 121.4 | |||||
| 948 | G | 28.6 | Very low | 30 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 93.3 | 148.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 949 | G | 28.7 | Very low | 29.9 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | 98.1 | 141.2 | 160 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 950 | A | 31.3 | Very low | 29.8 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -130.2 | 141.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 951 | S | 33 | Very low | 29.6 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 173.5 | 159.4 | 145.3 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 952 | G | 30.6 | Very low | 29.7 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -133.7 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 953 | R | 31.8 | Very low | 29.6 | Very low | 256 Ų | 256 | 142.2 Ų | 142.2 | 97% | 0.966 | 82% | 0.82 | S | S | * | * | trans | -147.7 | 139.8 | 165.1 | -104.8 | -174.9 | 176.3 | -150.4 | -1.5 | 111.1 | ||||
| 954 | L | 32.5 | Very low | 29.8 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -87.4 | 157.5 | 177 | -68.7 | 164.2 | 0 | 0 | 0 | 111.6 | ||||
| 955 | S | 29.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -161 | 119.8 | 140.1 | -88.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 956 | R | 28.7 | Very low | 30.3 | Very low | 223 Ų | 223 | 139 Ų | 139 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | 57.3 | 100.9 | 141.3 | -61.5 | -174.6 | 179 | -87.3 | -1.9 | 120.1 | ||||
| 957 | Q | 29 | Very low | 30.2 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -54.1 | 150.1 | 147.3 | -177.8 | 177.3 | 4.2 | 0 | 0 | 112.3 | ||||
| 958 | F | 26.4 | Very low | 30.3 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -139.5 | 145.9 | 167.3 | -120 | -86.6 | 0 | 0 | 0 | 111.3 | ||||
| 959 | H | 26.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 149 Ų | 149 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | trans | -101.8 | 158.3 | -177.6 | -150.5 | -91.7 | 0 | 0 | 0 | 110.1 | ||||
| 960 | A | 28.6 | Very low | 30.6 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | trans | -141.3 | 119.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 961 | E | 29.5 | Very low | 30.6 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 77% | 0.771 | 83% | 0.826 | S | S | * | * | trans | -134.4 | 145.5 | 168 | -86.5 | -148.8 | 111.1 | 0 | 0 | 111.9 | ||||
| 962 | V | 31.1 | Very low | 30.5 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | trans | 19.1 | 104.6 | 146.8 | -167.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 963 | A | 29.3 | Very low | 30.4 | Very low | 97 Ų | 97 | 161.1 Ų | 161.1 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | -168 | 139.9 | 127.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 964 | S | 33.3 | Very low | 30.4 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | cis | 104.8 | 106.1 | 18.8 | -67.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 965 | V | 34.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | 90 | 127.1 | 146.7 | 178.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 966 | S | 32.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 157.5 Ų | 157.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 72.5 | 109.9 | 150.1 | -176.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 967 | G | 29.2 | Very low | 30.4 | Very low | 63 Ų | 63 | 152.5 Ų | 152.5 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | 127.6 | 119.1 | 91 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 968 | R | 30.6 | Very low | 30.5 | Very low | 230 Ų | 230 | 150.1 Ų | 150.1 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | 60.8 | 140.5 | 158.7 | -50.6 | 178.4 | -175 | -112.8 | 3.5 | 117 | ||||
| 969 | W | 33.7 | Very low | 30.9 | Very low | 314 Ų | 314 | 146 Ų | 146 | 100% | 1.189 | 81% | 0.812 | S | S | * | * | cis | -111.8 | 0 | 3 | -78.9 | 66.1 | 0 | 0 | 0 | 111.3 |
Retrieved 969 of 969 residues in 587.8 ms
(Link to these results)