| 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 | 46.6 | Very low | 38 | Very low | 240 Ų | 240 | 185.2 Ų | 185.2 | 100% | 1.182 | 84% | 0.839 | S | S | * | * | 0 | 45.8 | 0 | -161.3 | 175.5 | -101.6 | 0 | 0 | 109.1 | |||||
| 2 | E | 35.1 | Very low | 37.7 | Very low | 174 Ų | 174 | 180.2 Ų | 180.2 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | trans | -130.3 | 4.8 | -149.5 | -159.6 | 161.2 | -165.8 | 0 | 0 | 112.5 | ||||
| 3 | K | 33.3 | Very low | 37.2 | Very low | 203 Ų | 203 | 171 Ų | 171 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -109.2 | 24.1 | -175.4 | -65.1 | -168.4 | 172.7 | -171 | 0 | 113.8 | ||
| 4 | R | 42.5 | Very low | 37.2 | Very low | 216 Ų | 216 | 166.4 Ų | 166.4 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -123 | -2.6 | 179.4 | -147.2 | -179.8 | -169.1 | 174 | 4.5 | 114.4 | ||
| 5 | Y | 35.3 | Very low | 37.1 | Very low | 204 Ų | 204 | 168.5 Ų | 168.5 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -99.9 | -19.5 | -177.4 | -99.9 | -85.5 | 0 | 0 | 0 | 114.3 | ||
| 6 | E | 37.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 162.2 Ų | 162.2 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -79.1 | -22.3 | 178.7 | -63.7 | -175 | 132.3 | 0 | 0 | 113.4 | L8 | E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.36Å |
| 7 | E | 39.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 163.3 Ų | 163.3 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -9.6 | -169.3 | -154.1 | 172.7 | -163.9 | 0 | 0 | 114.3 | ||
| 8 | L | 39.1 | Very low | 37.6 | Very low | 162 Ų | 162 | 159.8 Ų | 159.8 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -4.7 | -178.1 | -108.5 | 79.2 | 0 | 0 | 0 | 115.5 | E6 | E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.36Å |
| 9 | V | 39.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 158.8 Ų | 158.8 | 68% | 0.679 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -97.2 | -14 | -170.6 | -171.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 10 | H | 40.5 | Very low | 37.3 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -120.8 | 81.1 | -173.4 | -79.5 | -65.7 | 0 | 0 | 0 | 114.6 | ||||
| 11 | Y | 28.8 | Very low | 37.1 | Very low | 229 Ų | 229 | 150.3 Ų | 150.3 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -156.9 | 103.4 | 141.2 | -140.1 | -100.6 | 0 | 0 | 0 | 113.2 | ||||
| 12 | S | 34.6 | Very low | 36.5 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -155.1 | 114.1 | 164.8 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | G | 31.3 | Very low | 36.6 | Very low | 61 Ų | 61 | 145.1 Ų | 145.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 71.1 | 156.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 14 | S | 37.1 | Very low | 36.6 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | cis | -174.5 | 165.8 | -17.2 | 37.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 15 | E | 35.5 | Very low | 36.9 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 73.7 | 137.9 | 176.3 | -42.6 | -172.6 | 120.9 | 0 | 0 | 115.7 | ||||
| 16 | G | 33.6 | Very low | 37.1 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | 171.5 | 144.1 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | M | 34.6 | Very low | 37.3 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | 72.6 | 160.2 | 159.5 | -59.2 | -72.4 | -86.5 | 0 | 0 | 118.9 | ||||
| 18 | P | 51.5 | Low | 37.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | -139.4 | 177.5 | -65.6 | 39.8 | -22.5 | 0 | 0 | 0 | 114 | |||||
| 19 | V | 36.2 | Very low | 37.3 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 158.1 | 125.9 | 137.2 | 157.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 20 | G | 32.8 | Very low | 37.8 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 52.4 | 126.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 21 | G | 33 | Very low | 38.2 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | 138.1 | 82.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 22 | Y | 34.4 | Very low | 38.8 | Very low | 229 Ų | 229 | 129 Ų | 129 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -145 | 130.5 | 163 | -35.2 | -83.1 | 0 | 0 | 0 | 107.1 | ||||
| 23 | G | 37.3 | Very low | 39.2 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -99.1 | 152 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 24 | D | 33.4 | Very low | 39.7 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -153.3 | 150.8 | 147.4 | -153.5 | -114.6 | 0 | 0 | 0 | 109.4 | V26 | D24-V26 PolarHBondContact O-N 3.41Š| ||
| 25 | D | 48.4 | Very low | 39.9 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -73.2 | 108.5 | -164.9 | -94.3 | -91.1 | 0 | 0 | 0 | 114.1 | ||||
| 26 | V | 40.4 | Very low | 40.5 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -123.2 | 103.3 | 160.7 | -80 | 0 | 0 | 0 | 0 | 111.9 | D24 A28 | D24-V26 PolarHBondContact O-N 3.41Å; V26-A28 PolarHBondContact O-N 2.75Å | ||
| 27 | R | 41.1 | Very low | 41.4 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -37.9 | 103.3 | 170.3 | -179.9 | 179.3 | -179.6 | 134.3 | -4.7 | 112.3 | L29 | R27-L29 PolarHBondContact O-N 2.97Å; R27-L29 VanDerWaalsContact O-N 3.13Å | ||
| 28 | A | 38.2 | Very low | 42.3 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 116.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V26 | V26-A28 PolarHBondContact O-N 2.75Š|
| 29 | L | 41.3 | Very low | 42.5 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.3 | 165.7 | -73.2 | 164.9 | 0 | 0 | 0 | 108.2 | R27 | R27-L29 PolarHBondContact O-N 2.97Å; R27-L29 VanDerWaalsContact O-N 3.13Å |
| 30 | P | 50.3 | Low | 43.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 143.5 | 173.7 | 27.3 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 31 | P | 49.3 | Very low | 44.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.6 | 175.5 | 25.1 | -33.8 | 0 | 0 | 0 | 109.7 | Q33 | P31-Q33 PolarHBondContact O-N 3.21Š|
| 32 | P | 40.8 | Very low | 46 | Very low | 135 Ų | 135 | 129 Ų | 129 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -63.3 | 106 | -176.4 | 25.3 | -33.5 | 0 | 0 | 0 | 109.9 | Y34 | P32-Y34 PolarHBondContact O-N 2.75Š| ||
| 33 | Q | 43.3 | Very low | 47.3 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -73 | 125.3 | 178.6 | -67.8 | -128.3 | 26.2 | 0 | 0 | 110.1 | P31 | P31-Q33 PolarHBondContact O-N 3.21Š| ||
| 34 | Y | 41 | Very low | 48.5 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | 49.3 | 82.6 | 158.3 | -74.9 | -91.5 | 0 | 0 | 0 | 116.8 | P32 | P32-Y34 PolarHBondContact O-N 2.75Š| ||
| 35 | G | 41.8 | Very low | 49.9 | Very low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | trans | -60.7 | 151.4 | 133.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A37 | G35-A37 PolarHBondContact O-N 3.23Å; G35-A37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | P | 48 | Very low | 50.9 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | trans | -60 | 124 | -179.1 | 23.6 | -30.7 | 0 | 0 | 0 | 109.2 | I38 | P36-I38 PolarHBondContact O-N 2.87Š| ||
| 37 | A | 52.6 | Low | 52.3 | Low | 75 Ų | 75 | 117 Ų | 117 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | trans | -56 | 115.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108 | G35 P39 | G35-A37 PolarHBondContact O-N 3.23Å; G35-A37 VanDerWaalsContact O-N 3.15Å; A37-P39 WeakPolarHBondContact O-CD 3.32Å; A37-P39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | I | 52.7 | Low | 53.6 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -55.1 | 122.6 | 168.4 | -65.5 | -179.1 | 0 | 0 | 0 | 105.2 | P36 D40 L42 | P36-I38 PolarHBondContact O-N 2.87Å; I38-D40 PolarHBondContact O-N 3.41Å; I38-L42 HydrophobicContact CG2-CB 3.91Å; I38-L42 HydrophobicContact CG2-CD1 4.44Å | ||
| 39 | P | 56.5 | Low | 55 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | trans | -46.4 | 127.6 | -176.2 | -30.2 | 32.6 | 0 | 0 | 0 | 110.4 | A37 S41 L42 K43 | A37-P39 WeakPolarHBondContact O-CD 3.32Å; A37-P39 VanDerWaalsContact O-N 3.14Å; P39-S41 CarbonylContact O-C 3.39Å; P39-S41 PolarHBondContact O-N 3.18Å; P39-L42 HydrophobicContact CG-CD1 4.37Å; P39-L42 PolarHBondContact O-N 3.02Å; P39-K43 PolarHBondContact O-N 2.87Å | ||
| 40 | D | 59.5 | Low | 56.3 | Low | 128 Ų | 128 | 105.2 Ų | 105.2 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -54.8 | -28.5 | -174.8 | -70.3 | -71.7 | 0 | 0 | 0 | 112.1 | I38 K43 H44 | I38-D40 PolarHBondContact O-N 3.41Å; D40-K43 PolarHBondContact O-N 2.96Å; D40-H44 WeakPolarHBondContact O-CB 3.4Å; D40-H44 PolarHBondContact O-N 3.15Å |
| 41 | S | 58.1 | Low | 57.2 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -52.7 | -53.1 | 166.7 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | P39 K43 H44 H45 | P39-S41 CarbonylContact O-C 3.39Å; P39-S41 PolarHBondContact O-N 3.18Å; S41-K43 VanDerWaalsContact C-N 3.32Å; S41-K43 PolarHBondContact O-N 3.3Å; S41-H44 PolarHBondContact O-N 3.45Å; S41-H45 PolarHBondContact O-N 3.34Å; S41-H45 PolarHBondContact O-ND1 3.02Å; S41-H45 PolarHBondContact OG-CE1 3.33Å; S41-H45 PolarHBondContact OG-ND1 3.27Å |
| 42 | L | 58.1 | Low | 58 | Low | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 179.3 | -74.5 | 179.2 | 0 | 0 | 0 | 112 | I38 P39 K46 | I38-L42 HydrophobicContact CG2-CB 3.91Å; I38-L42 HydrophobicContact CG2-CD1 4.44Å; P39-L42 HydrophobicContact CG-CD1 4.37Å; P39-L42 PolarHBondContact O-N 3.02Å; L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 PolarHBondContact O-N 3.04Å |
| 43 | K | 61.4 | Low | 59.3 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.7 | -165 | -177.9 | 177.3 | -169.2 | 0 | 110.6 | P39 D40 S41 K46 D47 | P39-K43 PolarHBondContact O-N 2.87Å; D40-K43 PolarHBondContact O-N 2.96Å; S41-K43 VanDerWaalsContact C-N 3.32Å; S41-K43 PolarHBondContact O-N 3.3Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 3.13Å; K43-D47 PolarHBondContact O-N 3.46Å |
| 44 | H | 61.7 | Low | 60.4 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 53% | 0.532 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.7 | -171.7 | 52 | 0 | 0 | 0 | 113.1 | D40 S41 K46 D47 Q48 | D40-H44 WeakPolarHBondContact O-CB 3.4Å; D40-H44 PolarHBondContact O-N 3.15Å; S41-H44 PolarHBondContact O-N 3.45Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.77Å; H44-D47 PolarHBondContact O-N 3.26Å; H44-Q48 PolarHBondContact CD2-NE2 3Å; H44-Q48 PolarHBondContact NE2-NE2 3.39Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 2.92Å |
| 45 | H | 64.4 | Low | 61.8 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 173.2 | -74.9 | 80.7 | 0 | 0 | 0 | 111.5 | S41 D47 Q48 I49 | S41-H45 PolarHBondContact O-N 3.34Å; S41-H45 PolarHBondContact O-ND1 3.02Å; S41-H45 PolarHBondContact OG-CE1 3.33Å; S41-H45 PolarHBondContact OG-ND1 3.27Å; H45-D47 VanDerWaalsContact C-N 3.35Å; H45-Q48 PolarHBondContact O-N 3.13Å; H45-I49 WeakPolarHBondContact O-CD1 3.32Å; H45-I49 VanDerWaalsContact O-CG1 3.27Å; H45-I49 WeakPolarHBondContact O-CG1 3.25Å; H45-I49 PolarHBondContact O-N 3.13Å |
| 46 | K | 68.4 | Low | 63.4 | Low | 102 Ų | 102 | 82 Ų | 82 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.2 | -161.6 | -159.2 | 66 | 149.9 | 0 | 111.4 | L42 K43 H44 I49 Y50 | L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 PolarHBondContact O-N 3.04Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 3.13Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.77Å; K46-I49 PolarHBondContact O-N 2.84Å; K46-Y50 HydrophobicContact CD-CD2 4.35Å; K46-Y50 HydrophobicContact CD-CE2 3.6Å; K46-Y50 HydrophobicContact CG-CD2 3.96Å; K46-Y50 HydrophobicContact CG-CE2 3.48Å; K46-Y50 VanDerWaalsContact CG-CE2 3.48Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 3.14Å |
| 47 | D | 69.3 | Low | 64.3 | Low | 78 Ų | 78 | 76.8 Ų | 76.8 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.6 | -32.4 | 178.2 | -61.4 | -22.4 | 0 | 0 | 0 | 111.7 | K43 H44 H45 G51 | K43-D47 PolarHBondContact O-N 3.46Å; H44-D47 PolarHBondContact O-N 3.26Å; H45-D47 VanDerWaalsContact C-N 3.35Å; D47-G51 PolarHBondContact O-N 3.06Å |
| 48 | Q | 68.6 | Low | 65.2 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 168.4 | -73.3 | 178.2 | 28.5 | 0 | 0 | 112.4 | H44 H45 H52 L107 | H44-Q48 PolarHBondContact CD2-NE2 3Å; H44-Q48 PolarHBondContact NE2-NE2 3.39Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 2.92Å; H45-Q48 PolarHBondContact O-N 3.13Å; Q48-H52 PolarHBondContact O-N 2.93Å; Q48-L107 HydrophobicContact CB-CD2 3.8Å |
| 49 | I | 67 | Low | 66.3 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 175.7 | -69.5 | 159.4 | 0 | 0 | 0 | 110.5 | H45 K46 H52 F55 L107 M111 | H45-I49 WeakPolarHBondContact O-CD1 3.32Å; H45-I49 VanDerWaalsContact O-CG1 3.27Å; H45-I49 WeakPolarHBondContact O-CG1 3.25Å; H45-I49 PolarHBondContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 2.84Å; I49-H52 WeakPolarHBondContact O-CB 3.45Å; I49-H52 PolarHBondContact O-N 3.35Å; I49-F55 HydrophobicContact CG2-CD2 4.15Å; I49-F55 WeakPolarHBondContact O-CB 3.32Å; I49-F55 WeakPolarHBondContact O-CD2 3.41Å; I49-L107 HydrophobicContact CG1-CD1 3.83Å; I49-M111 HydrophobicContact CG2-SD 4.25Å |
| 50 | Y | 69.5 | Low | 67 | Low | 126 Ų | 126 | 69.4 Ų | 69.4 | 49% | 0.494 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.8 | -31.6 | 178.1 | -71.6 | -51.3 | 0 | 0 | 0 | 113.5 | K46 H52 F55 | K46-Y50 HydrophobicContact CD-CD2 4.35Å; K46-Y50 HydrophobicContact CD-CE2 3.6Å; K46-Y50 HydrophobicContact CG-CD2 3.96Å; K46-Y50 HydrophobicContact CG-CE2 3.48Å; K46-Y50 VanDerWaalsContact CG-CE2 3.48Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 3.14Å; Y50-H52 VanDerWaalsContact C-N 3.25Å; Y50-H52 PolarHBondContact O-N 3.34Å; Y50-F55 HydrophobicContact CD1-CD1 4.35Å; Y50-F55 AromaticContact CD1-CD2 4Å; Y50-F55 HydrophobicContact CD1-CD2 4Å; Y50-F55 AromaticContact CD1-CE1 3.83Å; Y50-F55 HydrophobicContact CD1-CE1 3.83Å; Y50-F55 AromaticContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CE2 3.43Å; Y50-F55 VanDerWaalsContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CG 4.45Å; Y50-F55 AromaticContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CE1-CE1 4.32Å; Y50-F55 AromaticContact CE1-CE2 3.6Å; Y50-F55 HydrophobicContact CE1-CE2 3.6Å; Y50-F55 AromaticContact CE1-CZ 3.48Å; Y50-F55 HydrophobicContact CE1-CZ 3.48Å; Y50-F55 VanDerWaalsContact CE1-CZ 3.48Å |
| 51 | G | 68.3 | Low | 67.5 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D47 | D47-G51 PolarHBondContact O-N 3.06Š|
| 52 | H | 67.3 | Low | 68.2 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | trans | -74.7 | 137.7 | -174.6 | -152.9 | -93.6 | 0 | 0 | 0 | 111.8 | Q48 I49 Y50 L54 F55 D108 M111 | Q48-H52 PolarHBondContact O-N 2.93Å; I49-H52 WeakPolarHBondContact O-CB 3.45Å; I49-H52 PolarHBondContact O-N 3.35Å; Y50-H52 VanDerWaalsContact C-N 3.25Å; Y50-H52 PolarHBondContact O-N 3.34Å; H52-L54 WeakPolarHBondContact ND1-CB 3.42Å; H52-L54 PolarHBondContact ND1-N 2.88Å; H52-L54 PolarHBondContact O-N 3.49Å; H52-L54 VanDerWaalsContact O-N 3.1Å; H52-F55 HydrophobicContact CB-CB 4.28Å; H52-F55 WeakPolarHBondContact O-CB 3.48Å; H52-F55 PolarHBondContact O-N 3.34Å; H52-D108 IonicContact CE1-OD1 2.87Å; H52-D108 PolarHBondContact CE1-OD1 3.48Å; H52-D108 IonicContact NE2-OD1 3.7Å; H52-D108 PolarHBondContact NE2-OD1 2.92Å; H52-M111 HydrophobicContact CB-CE 4.06Å | ||
| 53 | P | 68.4 | Low | 68.9 | Low | 56 Ų | 56 | 66.2 Ų | 66.2 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | 176.7 | 30.6 | -41.8 | 0 | 0 | 0 | 113.3 | P56 I100 | P53-P56 WeakPolarHBondContact O-CD 3.27Å; P53-I100 WeakPolarHBondContact CG-O 3.37Å |
| 54 | L | 65.8 | Low | 69.1 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.8 | 175.7 | -51.2 | -178.3 | 0 | 0 | 0 | 113.2 | H52 L57 L58 F90 I94 M111 I112 I115 | H52-L54 WeakPolarHBondContact ND1-CB 3.42Å; H52-L54 PolarHBondContact ND1-N 2.88Å; H52-L54 PolarHBondContact O-N 3.49Å; H52-L54 VanDerWaalsContact O-N 3.1Å; L54-L57 PolarHBondContact O-N 3.22Å; L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 PolarHBondContact O-N 2.94Å; L54-F90 HydrophobicContact CD2-CE1 3.76Å; L54-F90 HydrophobicContact CD2-CZ 4.49Å; L54-I94 HydrophobicContact CD2-CD1 3.53Å; L54-I94 HydrophobicContact CD2-CG1 4.29Å; L54-M111 HydrophobicContact CB-CB 4.17Å; L54-M111 HydrophobicContact CB-CE 4.05Å; L54-M111 HydrophobicContact CD1-CB 3.8Å; L54-I112 HydrophobicContact CD1-CD1 4.48Å; L54-I112 HydrophobicContact CD1-CG1 3.78Å; L54-I115 HydrophobicContact CB-CD1 4.12Å |
| 55 | F | 70.9 | Confident | 69.3 | Low | 58 Ų | 58 | 57.6 Ų | 57.6 | 25% | 0.254 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 180 | -176.4 | -97.1 | 0 | 0 | 0 | 113.6 | I49 Y50 H52 L57 L58 A59 M111 | I49-F55 HydrophobicContact CG2-CD2 4.15Å; I49-F55 WeakPolarHBondContact O-CB 3.32Å; I49-F55 WeakPolarHBondContact O-CD2 3.41Å; Y50-F55 HydrophobicContact CD1-CD1 4.35Å; Y50-F55 AromaticContact CD1-CD2 4Å; Y50-F55 HydrophobicContact CD1-CD2 4Å; Y50-F55 AromaticContact CD1-CE1 3.83Å; Y50-F55 HydrophobicContact CD1-CE1 3.83Å; Y50-F55 AromaticContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CE2 3.43Å; Y50-F55 VanDerWaalsContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CG 4.45Å; Y50-F55 AromaticContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CE1-CE1 4.32Å; Y50-F55 AromaticContact CE1-CE2 3.6Å; Y50-F55 HydrophobicContact CE1-CE2 3.6Å; Y50-F55 AromaticContact CE1-CZ 3.48Å; Y50-F55 HydrophobicContact CE1-CZ 3.48Å; Y50-F55 VanDerWaalsContact CE1-CZ 3.48Å; H52-F55 HydrophobicContact CB-CB 4.28Å; H52-F55 WeakPolarHBondContact O-CB 3.48Å; H52-F55 PolarHBondContact O-N 3.34Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.88Å; F55-L58 PolarHBondContact O-N 3.25Å; F55-A59 HydrophobicContact CE1-CB 4.21Å; F55-A59 HydrophobicContact CZ-CB 4.25Å; F55-A59 WeakPolarHBondContact O-CB 3.27Å; F55-A59 PolarHBondContact O-N 2.91Å; F55-M111 HydrophobicContact CB-CE 4.28Å |
| 56 | P | 75.2 | Confident | 69.5 | Low | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 175.9 | -24.8 | 35.9 | 0 | 0 | 0 | 113 | P53 L60 | P53-P56 WeakPolarHBondContact O-CD 3.27Å; P56-L60 WeakPolarHBondContact O-CB 3.28Å; P56-L60 PolarHBondContact O-N 3.42Å |
| 57 | L | 67.7 | Low | 69.4 | Low | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 174.5 | 179.3 | 61.3 | 0 | 0 | 0 | 111.1 | L54 F55 A59 L60 V61 I87 F90 I115 | L54-L57 PolarHBondContact O-N 3.22Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.88Å; L57-A59 VanDerWaalsContact C-N 3.31Å; L57-A59 PolarHBondContact O-N 3.45Å; L57-L60 PolarHBondContact O-N 2.91Å; L57-V61 HydrophobicContact CD1-CG2 4.04Å; L57-V61 HydrophobicContact CG-CG2 4.25Å; L57-V61 WeakPolarHBondContact O-CB 3.2Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-I87 HydrophobicContact CD1-CG1 4.4Å; L57-F90 HydrophobicContact CB-CD1 4.01Å; L57-F90 HydrophobicContact CB-CE1 3.65Å; L57-F90 HydrophobicContact CB-CE2 4.45Å; L57-F90 HydrophobicContact CB-CG 4.5Å; L57-F90 HydrophobicContact CB-CZ 3.92Å; L57-F90 HydrophobicContact CD2-CB 4.37Å; L57-F90 HydrophobicContact CD2-CD1 3.32Å; L57-F90 HydrophobicContact CD2-CE1 3.72Å; L57-F90 HydrophobicContact CD2-CG 4.01Å; L57-F90 HydrophobicContact CG-CD1 4.18Å; L57-F90 HydrophobicContact CG-CE1 4.29Å; L57-I115 HydrophobicContact CB-CD1 4.45Å; L57-I115 HydrophobicContact CD2-CD1 4.01Å; L57-I115 HydrophobicContact CD2-CG2 4.12Å; L57-I115 HydrophobicContact CG-CD1 4.2Å |
| 58 | L | 70.7 | Confident | 68.9 | Low | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.7 | -178.1 | 63.4 | 0 | 0 | 0 | 111.7 | L54 F55 V61 F62 M111 A114 I115 L118 | L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.25Å; L58-V61 PolarHBondContact O-N 2.95Å; L58-F62 HydrophobicContact CD1-CD2 3.96Å; L58-F62 HydrophobicContact CD1-CE2 3.62Å; L58-F62 HydrophobicContact CD2-CE2 4.19Å; L58-F62 HydrophobicContact CG-CD2 3.86Å; L58-F62 HydrophobicContact CG-CE2 3.72Å; L58-F62 VanDerWaalsContact O-CD2 3.22Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.39Å; L58-M111 HydrophobicContact CB-CE 4.07Å; L58-M111 HydrophobicContact CD2-CE 3.54Å; L58-M111 HydrophobicContact CD2-SD 3.71Å; L58-M111 HydrophobicContact CG-CE 4.44Å; L58-A114 HydrophobicContact CD1-CB 4.13Å; L58-I115 HydrophobicContact CB-CD1 4.47Å; L58-I115 HydrophobicContact CB-CG1 4.27Å; L58-I115 HydrophobicContact CD1-CG1 3.98Å; L58-L118 HydrophobicContact CD1-CD1 3.59Å |
| 59 | A | 74.7 | Confident | 68.5 | Low | 37 Ų | 37 | 59 Ų | 59 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F55 L57 V61 F62 E63 | F55-A59 HydrophobicContact CE1-CB 4.21Å; F55-A59 HydrophobicContact CZ-CB 4.25Å; F55-A59 WeakPolarHBondContact O-CB 3.27Å; F55-A59 PolarHBondContact O-N 2.91Å; L57-A59 VanDerWaalsContact C-N 3.31Å; L57-A59 PolarHBondContact O-N 3.45Å; A59-V61 VanDerWaalsContact C-N 3.34Å; A59-V61 PolarHBondContact O-N 2.97Å; A59-F62 PolarHBondContact O-N 3.33Å; A59-E63 PolarHBondContact O-N 2.96Å |
| 60 | L | 71.4 | Confident | 67.9 | Low | 67 Ų | 67 | 59.8 Ų | 59.8 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 177.1 | -174.9 | 151.7 | 0 | 0 | 0 | 112.2 | P56 L57 K64 F83 | P56-L60 WeakPolarHBondContact O-CB 3.28Å; P56-L60 PolarHBondContact O-N 3.42Å; L57-L60 PolarHBondContact O-N 2.91Å; L60-K64 HydrophobicContact CD2-CD 4.05Å; L60-K64 PolarHBondContact O-N 2.88Å; L60-K64 VanDerWaalsContact O-N 3.08Å; L60-F83 HydrophobicContact CD2-CD2 4.22Å; L60-F83 HydrophobicContact CD2-CE2 4Å |
| 61 | V | 71.4 | Confident | 67.1 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 172.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | L57 L58 A59 K64 C65 F83 L118 | L57-V61 HydrophobicContact CD1-CG2 4.04Å; L57-V61 HydrophobicContact CG-CG2 4.25Å; L57-V61 WeakPolarHBondContact O-CB 3.2Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.84Å; L58-V61 PolarHBondContact O-N 2.95Å; A59-V61 VanDerWaalsContact C-N 3.34Å; A59-V61 PolarHBondContact O-N 2.97Å; V61-K64 PolarHBondContact O-N 3.17Å; V61-C65 PolarHBondContact O-N 3.2Å; V61-C65 PolarHBondContact O-SG 2.95Å; V61-F83 HydrophobicContact CG1-CZ 4.48Å; V61-F83 HydrophobicContact CG2-CE2 4.02Å; V61-F83 HydrophobicContact CG2-CZ 3.93Å; V61-L118 HydrophobicContact CG1-CB 3.48Å; V61-L118 VanDerWaalsContact CG1-CB 3.48Å; V61-L118 HydrophobicContact CG1-CD1 4.06Å; V61-L118 HydrophobicContact CG1-CG 4.39Å |
| 62 | F | 71.6 | Confident | 66.1 | Low | 111 Ų | 111 | 63.2 Ų | 63.2 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.5 | -88.7 | -62.3 | 0 | 0 | 0 | 112.9 | L58 A59 K64 C65 E66 L118 | L58-F62 HydrophobicContact CD1-CD2 3.96Å; L58-F62 HydrophobicContact CD1-CE2 3.62Å; L58-F62 HydrophobicContact CD2-CE2 4.19Å; L58-F62 HydrophobicContact CG-CD2 3.86Å; L58-F62 HydrophobicContact CG-CE2 3.72Å; L58-F62 VanDerWaalsContact O-CD2 3.22Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.39Å; A59-F62 PolarHBondContact O-N 3.33Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.3Å; F62-C65 WeakPolarHBondContact O-CB 3.45Å; F62-C65 PolarHBondContact O-N 3.46Å; F62-C65 VanDerWaalsContact O-N 3.15Å; F62-E66 PolarHBondContact O-N 3.32Å; F62-L118 HydrophobicContact CD1-CD1 4.21Å; F62-L118 HydrophobicContact CD1-CD2 4.32Å; F62-L118 HydrophobicContact CD2-CD1 4.18Å; F62-L118 HydrophobicContact CE1-CD1 3.86Å; F62-L118 HydrophobicContact CE1-CD2 3.86Å; F62-L118 HydrophobicContact CE2-CD1 3.83Å; F62-L118 HydrophobicContact CG-CD1 4.35Å; F62-L118 HydrophobicContact CZ-CD1 3.65Å; F62-L118 HydrophobicContact CZ-CD2 4.34Å |
| 63 | E | 73.9 | Confident | 65.1 | Low | 126 Ų | 126 | 70.2 Ų | 70.2 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -43.4 | 176.9 | -176 | 175.9 | -167.5 | 0 | 0 | 111.1 | A59 E66 L67 | A59-E63 PolarHBondContact O-N 2.96Å; E63-E66 PolarHBondContact O-N 2.98Å; E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.48Å |
| 64 | K | 65.8 | Low | 63.9 | Low | 38 Ų | 38 | 74.9 Ų | 74.9 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 174 | -78 | -179.8 | 170.9 | -71.1 | 0 | 113.3 | L60 V61 F62 A68 V77 F83 L122 | L60-K64 HydrophobicContact CD2-CD 4.05Å; L60-K64 PolarHBondContact O-N 2.88Å; L60-K64 VanDerWaalsContact O-N 3.08Å; V61-K64 PolarHBondContact O-N 3.17Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.3Å; K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 2.92Å; K64-V77 PolarHBondContact NZ-O 3.27Å; K64-F83 HydrophobicContact CD-CB 4.47Å; K64-F83 HydrophobicContact CD-CD2 3.37Å; K64-F83 HydrophobicContact CD-CE2 3.63Å; K64-F83 HydrophobicContact CD-CG 4.03Å; K64-F83 HydrophobicContact CD-CZ 4.48Å; K64-L122 HydrophobicContact CB-CD2 4.26Å |
| 65 | C | 65.9 | Low | 63.1 | Low | 14 Ų | 14 | 80.1 Ų | 80.1 | 10% | 0.095 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 171.2 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | V61 F62 A68 T69 L122 | V61-C65 PolarHBondContact O-N 3.2Å; V61-C65 PolarHBondContact O-SG 2.95Å; F62-C65 WeakPolarHBondContact O-CB 3.45Å; F62-C65 PolarHBondContact O-N 3.46Å; F62-C65 VanDerWaalsContact O-N 3.15Å; C65-A68 PolarHBondContact O-N 3.23Å; C65-T69 WeakPolarHBondContact O-CG2 3.14Å; C65-T69 PolarHBondContact O-N 3.25Å; C65-T69 VanDerWaalsContact O-N 3.12Å; C65-T69 PolarHBondContact O-OG1 3.36Å; C65-L122 HydrophobicContact CB-CD1 4.49Å |
| 66 | E | 67.9 | Low | 62 | Low | 132 Ų | 132 | 83.6 Ų | 83.6 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.4 | -51.2 | 176.9 | -172.6 | 172.1 | 175.9 | 0 | 0 | 110.6 | F62 E63 A68 T69 C70 | F62-E66 PolarHBondContact O-N 3.32Å; E63-E66 PolarHBondContact O-N 2.98Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.89Å; E66-T69 PolarHBondContact O-N 3.48Å; E66-T69 PolarHBondContact O-OG1 2.83Å; E66-C70 WeakPolarHBondContact O-CB 3.27Å; E66-C70 PolarHBondContact O-N 3.02Å |
| 67 | L | 66.5 | Low | 60.9 | Low | 105 Ų | 105 | 83.6 Ų | 83.6 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.2 | -39.4 | 176.7 | -69.6 | 170.8 | 0 | 0 | 0 | 113 | E63 T69 C70 | E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.48Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.4Å; L67-C70 PolarHBondContact O-N 3.04Å |
| 68 | A | 59.1 | Low | 59.9 | Low | 40 Ų | 40 | 85.5 Ų | 85.5 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.6 | -27.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K64 C65 E66 L122 | K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 2.92Å; C65-A68 PolarHBondContact O-N 3.23Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.89Å; A68-L122 HydrophobicContact CB-CD1 3.57Å |
| 69 | T | 60 | Low | 59 | Low | 83 Ų | 83 | 88.8 Ų | 88.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -86.1 | -27.2 | 175.3 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | C65 E66 L67 M71 L125 | C65-T69 WeakPolarHBondContact O-CG2 3.14Å; C65-T69 PolarHBondContact O-N 3.25Å; C65-T69 VanDerWaalsContact O-N 3.12Å; C65-T69 PolarHBondContact O-OG1 3.36Å; E66-T69 PolarHBondContact O-N 3.48Å; E66-T69 PolarHBondContact O-OG1 2.83Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.4Å; T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 VanDerWaalsContact O-N 3.15Å; T69-L125 HydrophobicContact CG2-CD1 4Å |
| 70 | C | 53.8 | Low | 58.1 | Low | 74 Ų | 74 | 89.4 Ų | 89.4 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -79.7 | 90.6 | 175.8 | -76.2 | 0 | 0 | 0 | 0 | 110.9 | E66 L67 A72 | E66-C70 WeakPolarHBondContact O-CB 3.27Å; E66-C70 PolarHBondContact O-N 3.02Å; L67-C70 PolarHBondContact O-N 3.04Å; C70-A72 VanDerWaalsContact C-N 3.28Å; C70-A72 PolarHBondContact O-N 2.89Å |
| 71 | M | 53 | Low | 57.3 | Low | 191 Ų | 191 | 93.6 Ų | 93.6 | 94% | 0.941 | 52% | 0.521 | S | S | * | . | trans | -63 | 75.6 | 176.3 | -65.9 | -178.9 | 62.5 | 0 | 0 | 113.5 | T69 | T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 VanDerWaalsContact O-N 3.15Å | ||
| 72 | A | 47.7 | Very low | 56.7 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -160.9 | 112.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C70 | C70-A72 VanDerWaalsContact C-N 3.28Å; C70-A72 PolarHBondContact O-N 2.89Å |
| 73 | N | 45.3 | Very low | 56.2 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 65.9 | 50.1 | 137 | -48 | -11.8 | 0 | 0 | 0 | 119.5 | ||
| 74 | H | 42.9 | Very low | 55.8 | Low | 154 Ų | 154 | 87.8 Ų | 87.8 | 71% | 0.713 | 51% | 0.505 | S | S | * | . | trans | -146.3 | 102.6 | 148.2 | -108 | -79.2 | 0 | 0 | 0 | 110.7 | D76 V77 | H74-D76 PolarHBondContact O-N 3.46Å; H74-V77 HydrophobicContact CB-CB 4.28Å; H74-V77 HydrophobicContact CB-CG2 3.81Å; H74-V77 WeakPolarHBondContact ND1-CG2 3.47Å | ||
| 75 | S | 49.1 | Very low | 56.1 | Low | 117 Ų | 117 | 91.4 Ų | 91.4 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | -177.3 | 34.9 | 0 | 0 | 0 | 0 | 115 | ||
| 76 | D | 48.6 | Very low | 56.2 | Low | 130 Ų | 130 | 94.4 Ų | 94.4 | 70% | 0.695 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | 13.4 | -160.5 | -56.4 | -86 | 0 | 0 | 0 | 114 | H74 | H74-D76 PolarHBondContact O-N 3.46Š|
| 77 | V | 52.1 | Low | 56.3 | Low | 82 Ų | 82 | 89.4 Ų | 89.4 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -111.2 | -5.4 | -171 | -177.7 | 0 | 0 | 0 | 0 | 113.9 | K64 H74 | K64-V77 PolarHBondContact NZ-O 3.27Å; H74-V77 HydrophobicContact CB-CB 4.28Å; H74-V77 HydrophobicContact CB-CG2 3.81Å; H74-V77 WeakPolarHBondContact ND1-CG2 3.47Å |
| 78 | C | 47.3 | Very low | 56.3 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | trans | -144.5 | 72.9 | 171.9 | -148.1 | 0 | 0 | 0 | 0 | 112.4 | S80 E126 | C78-S80 PolarHBondContact O-N 3.1Å; C78-E126 PolarHBondContact SG-OE1 3.1Å | ||
| 79 | S | 51.7 | Low | 56.7 | Low | 82 Ų | 82 | 86.9 Ų | 86.9 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | trans | -66 | 113.8 | 149.9 | -64 | 0 | 0 | 0 | 0 | 107.2 | E81 S82 | S79-E81 PolarHBondContact O-N 2.91Å; S79-S82 PolarHBondContact O-N 3.06Å | ||
| 80 | S | 54.2 | Low | 57 | Low | 50 Ų | 50 | 85.9 Ų | 85.9 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.4 | -23 | -176.7 | 54 | 0 | 0 | 0 | 0 | 113.2 | C78 N84 E126 | C78-S80 PolarHBondContact O-N 3.1Å; S80-N84 PolarHBondContact O-N 3.36Å; S80-N84 PolarHBondContact O-ND2 3.1Å; S80-E126 VanDerWaalsContact CB-OE2 3.23Å; S80-E126 WeakPolarHBondContact CB-OE2 3.26Å |
| 81 | E | 55.2 | Low | 57.4 | Low | 155 Ų | 155 | 84.1 Ų | 84.1 | 72% | 0.724 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -50.1 | 169.5 | -78.5 | 169.4 | 70.1 | 0 | 0 | 113.3 | S79 F83 N84 D85 | S79-E81 PolarHBondContact O-N 2.91Å; E81-F83 PolarHBondContact O-N 2.93Å; E81-N84 PolarHBondContact O-N 3.42Å; E81-D85 PolarHBondContact O-N 2.88Å |
| 82 | S | 58.3 | Low | 58 | Low | 69 Ų | 69 | 81.7 Ų | 81.7 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | S79 D85 D86 | S79-S82 PolarHBondContact O-N 3.06Å; S82-D85 PolarHBondContact O-N 3.07Å; S82-D86 VanDerWaalsContact O-CG 3.29Å; S82-D86 PolarHBondContact O-N 3.43Å |
| 83 | F | 61.1 | Low | 58.8 | Low | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.009 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -74.4 | -33.4 | 178 | 175 | -114.2 | 0 | 0 | 0 | 112.9 | L60 V61 K64 E81 D85 I87 L122 | L60-F83 HydrophobicContact CD2-CD2 4.22Å; L60-F83 HydrophobicContact CD2-CE2 4Å; V61-F83 HydrophobicContact CG1-CZ 4.48Å; V61-F83 HydrophobicContact CG2-CE2 4.02Å; V61-F83 HydrophobicContact CG2-CZ 3.93Å; K64-F83 HydrophobicContact CD-CB 4.47Å; K64-F83 HydrophobicContact CD-CD2 3.37Å; K64-F83 HydrophobicContact CD-CE2 3.63Å; K64-F83 HydrophobicContact CD-CG 4.03Å; K64-F83 HydrophobicContact CD-CZ 4.48Å; E81-F83 PolarHBondContact O-N 2.93Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-I87 HydrophobicContact CD1-CD1 3.88Å; F83-I87 HydrophobicContact CD2-CD1 4.22Å; F83-I87 HydrophobicContact CD2-CG1 4.47Å; F83-I87 HydrophobicContact CE1-CD1 3.43Å; F83-I87 VanDerWaalsContact CE1-CD1 3.43Å; F83-I87 HydrophobicContact CE2-CD1 3.83Å; F83-I87 HydrophobicContact CE2-CG1 4.22Å; F83-I87 HydrophobicContact CG-CD1 4.28Å; F83-I87 HydrophobicContact CZ-CD1 3.45Å; F83-I87 VanDerWaalsContact CZ-CD1 3.45Å; F83-I87 HydrophobicContact CZ-CG1 4.32Å; F83-I87 WeakPolarHBondContact O-CB 3.34Å; F83-I87 VanDerWaalsContact O-CG1 3.32Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 2.99Å; F83-L122 HydrophobicContact CD1-CD2 4Å; F83-L122 HydrophobicContact CE1-CD2 3.42Å; F83-L122 VanDerWaalsContact CE1-CD2 3.42Å; F83-L122 HydrophobicContact CZ-CD2 3.76Å |
| 84 | N | 66.2 | Low | 59.5 | Low | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 170.7 | -80.3 | -76.7 | 0 | 0 | 0 | 111.2 | S80 E81 A88 R119 | S80-N84 PolarHBondContact O-N 3.36Å; S80-N84 PolarHBondContact O-ND2 3.1Å; E81-N84 PolarHBondContact O-N 3.42Å; N84-A88 WeakPolarHBondContact O-CB 3.3Å; N84-A88 PolarHBondContact O-N 3.47Å; N84-R119 PolarHBondContact OD1-NH2 3.26Å |
| 85 | D | 71.2 | Confident | 60.3 | Low | 114 Ų | 114 | 78.7 Ų | 78.7 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 172.9 | -82.6 | -25.7 | 0 | 0 | 0 | 112.5 | E81 S82 F83 I87 A88 A89 | E81-D85 PolarHBondContact O-N 2.88Å; S82-D85 PolarHBondContact O-N 3.07Å; F83-D85 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 3.22Å; D85-A88 PolarHBondContact O-N 2.99Å; D85-A89 VanDerWaalsContact O-CB 3.25Å; D85-A89 WeakPolarHBondContact O-CB 3.32Å; D85-A89 PolarHBondContact O-N 3.23Å |
| 86 | D | 68.1 | Low | 60.8 | Low | 77 Ų | 77 | 77.3 Ų | 77.3 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 173.9 | -72.4 | -38.3 | 0 | 0 | 0 | 111.7 | S82 A89 F90 | S82-D86 VanDerWaalsContact O-CG 3.29Å; S82-D86 PolarHBondContact O-N 3.43Å; D86-A89 PolarHBondContact O-N 2.85Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.43Å |
| 87 | I | 70.3 | Confident | 60.8 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 174.6 | -71.3 | 167.8 | 0 | 0 | 0 | 110.9 | L57 F83 D85 F90 A91 R119 | L57-I87 HydrophobicContact CD1-CG1 4.4Å; F83-I87 HydrophobicContact CD1-CD1 3.88Å; F83-I87 HydrophobicContact CD2-CD1 4.22Å; F83-I87 HydrophobicContact CD2-CG1 4.47Å; F83-I87 HydrophobicContact CE1-CD1 3.43Å; F83-I87 VanDerWaalsContact CE1-CD1 3.43Å; F83-I87 HydrophobicContact CE2-CD1 3.83Å; F83-I87 HydrophobicContact CE2-CG1 4.22Å; F83-I87 HydrophobicContact CG-CD1 4.28Å; F83-I87 HydrophobicContact CZ-CD1 3.45Å; F83-I87 VanDerWaalsContact CZ-CD1 3.45Å; F83-I87 HydrophobicContact CZ-CG1 4.32Å; F83-I87 WeakPolarHBondContact O-CB 3.34Å; F83-I87 VanDerWaalsContact O-CG1 3.32Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 2.99Å; D85-I87 PolarHBondContact O-N 3.22Å; I87-F90 PolarHBondContact O-N 3.37Å; I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.21Å; I87-R119 HydrophobicContact CD1-CG 4.4Å |
| 88 | A | 67.2 | Low | 60.7 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.6 | -36.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N84 D85 K92 | N84-A88 WeakPolarHBondContact O-CB 3.3Å; N84-A88 PolarHBondContact O-N 3.47Å; D85-A88 PolarHBondContact O-N 2.99Å; A88-K92 WeakPolarHBondContact O-CB 3.43Å; A88-K92 WeakPolarHBondContact O-CD 3.47Å; A88-K92 WeakPolarHBondContact O-CG 3.2Å; A88-K92 PolarHBondContact O-N 2.93Å |
| 89 | A | 68.2 | Low | 61.1 | Low | 57 Ų | 57 | 84 Ų | 84 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D85 D86 K92 Q93 | D85-A89 VanDerWaalsContact O-CB 3.25Å; D85-A89 WeakPolarHBondContact O-CB 3.32Å; D85-A89 PolarHBondContact O-N 3.23Å; D86-A89 PolarHBondContact O-N 2.85Å; A89-K92 WeakPolarHBondContact O-CB 3.46Å; A89-K92 PolarHBondContact O-N 2.83Å; A89-Q93 PolarHBondContact O-N 2.84Å |
| 90 | F | 65.5 | Low | 61.1 | Low | 62 Ų | 62 | 86.9 Ų | 86.9 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.9 | -159.3 | -98.3 | 0 | 0 | 0 | 112.4 | L54 L57 D86 I87 K92 Q93 I94 | L54-F90 HydrophobicContact CD2-CE1 3.76Å; L54-F90 HydrophobicContact CD2-CZ 4.49Å; L57-F90 HydrophobicContact CB-CD1 4.01Å; L57-F90 HydrophobicContact CB-CE1 3.65Å; L57-F90 HydrophobicContact CB-CE2 4.45Å; L57-F90 HydrophobicContact CB-CG 4.5Å; L57-F90 HydrophobicContact CB-CZ 3.92Å; L57-F90 HydrophobicContact CD2-CB 4.37Å; L57-F90 HydrophobicContact CD2-CD1 3.32Å; L57-F90 HydrophobicContact CD2-CE1 3.72Å; L57-F90 HydrophobicContact CD2-CG 4.01Å; L57-F90 HydrophobicContact CG-CD1 4.18Å; L57-F90 HydrophobicContact CG-CE1 4.29Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.43Å; I87-F90 PolarHBondContact O-N 3.37Å; F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 2.92Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 2.94Å; F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.26Å; F90-I94 HydrophobicContact CE1-CD1 3.67Å; F90-I94 HydrophobicContact CE1-CG1 4.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 3.43Å |
| 91 | A | 62.9 | Low | 61.2 | Low | 37 Ų | 37 | 89.3 Ų | 89.3 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -29.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | I87 R95 | I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.21Å; A91-R95 WeakPolarHBondContact O-CD 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 2.89Å |
| 92 | K | 64.6 | Low | 61.1 | Low | 140 Ų | 140 | 83.5 Ų | 83.5 | 61% | 0.609 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.9 | -45.3 | 169.3 | -75.8 | 165.7 | -175.5 | 171.3 | 0 | 110.8 | A88 A89 F90 I94 R95 S96 | A88-K92 WeakPolarHBondContact O-CB 3.43Å; A88-K92 WeakPolarHBondContact O-CD 3.47Å; A88-K92 WeakPolarHBondContact O-CG 3.2Å; A88-K92 PolarHBondContact O-N 2.93Å; A89-K92 WeakPolarHBondContact O-CB 3.46Å; A89-K92 PolarHBondContact O-N 2.83Å; F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 2.92Å; K92-I94 PolarHBondContact O-N 2.95Å; K92-R95 CarbonylContact O-C 3.6Å; K92-R95 WeakPolarHBondContact O-CA 3.49Å; K92-R95 WeakPolarHBondContact O-CB 3.41Å; K92-R95 PolarHBondContact O-N 3.27Å; K92-S96 PolarHBondContact O-N 2.91Å; K92-S96 PolarHBondContact O-OG 3.4Å; K92-S96 VanDerWaalsContact O-OG 3.1Å |
| 93 | Q | 64.8 | Low | 61.2 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.4 | -48.5 | 177.4 | -170.8 | 70.1 | 12 | 0 | 0 | 111.8 | A89 F90 R95 S96 E97 | A89-Q93 PolarHBondContact O-N 2.84Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 2.94Å; Q93-R95 PolarHBondContact O-N 3.05Å; Q93-S96 WeakPolarHBondContact CA-OG 3.46Å; Q93-S96 PolarHBondContact O-N 3.21Å; Q93-S96 PolarHBondContact O-OG 3.39Å; Q93-S96 VanDerWaalsContact O-OG 3.07Å; Q93-E97 PolarHBondContact NE2-OE1 2.97Å; Q93-E97 PolarHBondContact NE2-OE2 3.31Å; Q93-E97 PolarHBondContact O-N 2.88Å |
| 94 | I | 59.3 | Low | 61.4 | Low | 67 Ų | 67 | 89 Ų | 89 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -28.8 | 176 | -66 | 162.4 | 0 | 0 | 0 | 112.5 | L54 F90 K92 F101 | L54-I94 HydrophobicContact CD2-CD1 3.53Å; L54-I94 HydrophobicContact CD2-CG1 4.29Å; F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.26Å; F90-I94 HydrophobicContact CE1-CD1 3.67Å; F90-I94 HydrophobicContact CE1-CG1 4.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 3.43Å; K92-I94 PolarHBondContact O-N 2.95Å; I94-F101 HydrophobicContact CG2-CZ 4.44Å |
| 95 | R | 59.7 | Low | 61.3 | Low | 157 Ų | 157 | 90.9 Ų | 90.9 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -87.5 | -28.9 | 178.5 | -73.8 | 172.4 | 173.8 | 162.8 | -7.9 | 113.3 | A91 K92 Q93 | A91-R95 WeakPolarHBondContact O-CD 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 2.89Å; K92-R95 CarbonylContact O-C 3.6Å; K92-R95 WeakPolarHBondContact O-CA 3.49Å; K92-R95 WeakPolarHBondContact O-CB 3.41Å; K92-R95 PolarHBondContact O-N 3.27Å; Q93-R95 PolarHBondContact O-N 3.05Å |
| 96 | S | 60.4 | Low | 61.2 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -82.7 | -32 | 179.6 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | K92 Q93 | K92-S96 PolarHBondContact O-N 2.91Å; K92-S96 PolarHBondContact O-OG 3.4Å; K92-S96 VanDerWaalsContact O-OG 3.1Å; Q93-S96 WeakPolarHBondContact CA-OG 3.46Å; Q93-S96 PolarHBondContact O-N 3.21Å; Q93-S96 PolarHBondContact O-OG 3.39Å; Q93-S96 VanDerWaalsContact O-OG 3.07Å |
| 97 | E | 48.9 | Very low | 61.3 | Low | 119 Ų | 119 | 89.8 Ų | 89.8 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -97.6 | 118.7 | 177.4 | -67 | -177.3 | 156.3 | 0 | 0 | 110.6 | Q93 | Q93-E97 PolarHBondContact NE2-OE1 2.97Å; Q93-E97 PolarHBondContact NE2-OE2 3.31Å; Q93-E97 PolarHBondContact O-N 2.88Å |
| 98 | K | 50.4 | Low | 61.2 | Low | 201 Ų | 201 | 88.9 Ų | 88.9 | 87% | 0.874 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -60 | 145.2 | 173.6 | -87.1 | -179.9 | 176.4 | 174.4 | 0 | 110.3 | ||
| 99 | P | 55.7 | Low | 61.4 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 58% | 0.578 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 139.7 | -132.9 | 29.8 | -36.8 | 0 | 0 | 0 | 113.2 | F101 | P99-F101 VanDerWaalsContact C-N 3.29Å; P99-F101 HydrophobicContact CB-CB 4.17Å; P99-F101 HydrophobicContact CB-CD2 3.46Å; P99-F101 VanDerWaalsContact CB-CD2 3.46Å; P99-F101 HydrophobicContact CB-CE2 4.12Å; P99-F101 HydrophobicContact CB-CG 4.01Å; P99-F101 HydrophobicContact CG-CD2 4.18Å |
| 100 | I | 52 | Low | 61.7 | Low | 142 Ų | 142 | 93.6 Ų | 93.6 | 73% | 0.728 | 49% | 0.485 | S | S | * | . | trans | -100.4 | 36.5 | 153.1 | -28.9 | 177.2 | 0 | 0 | 0 | 109.7 | P53 S102 | P53-I100 WeakPolarHBondContact CG-O 3.37Å; I100-S102 PolarHBondContact O-N 2.85Å | ||
| 101 | F | 55.7 | Low | 61.9 | Low | 101 Ų | 101 | 91 Ų | 91 | 44% | 0.443 | 47% | 0.474 | S | S | . | . | trans | -47.3 | 137.3 | 156.8 | -76.9 | -47.8 | 0 | 0 | 0 | 107.5 | I94 P99 D108 I112 | I94-F101 HydrophobicContact CG2-CZ 4.44Å; P99-F101 VanDerWaalsContact C-N 3.29Å; P99-F101 HydrophobicContact CB-CB 4.17Å; P99-F101 HydrophobicContact CB-CD2 3.46Å; P99-F101 VanDerWaalsContact CB-CD2 3.46Å; P99-F101 HydrophobicContact CB-CE2 4.12Å; P99-F101 HydrophobicContact CB-CG 4.01Å; P99-F101 HydrophobicContact CG-CD2 4.18Å; F101-D108 VanDerWaalsContact CA-OD1 3.28Å; F101-D108 WeakPolarHBondContact CA-OD1 3.24Å; F101-D108 HydrophobicContact CD1-CB 3.7Å; F101-D108 VanDerWaalsContact CD1-CG 3.47Å; F101-D108 VanDerWaalsContact CD1-OD1 3.27Å; F101-D108 WeakPolarHBondContact CD1-OD1 3.36Å; F101-D108 HydrophobicContact CE1-CB 4.18Å; F101-D108 HydrophobicContact CG-CB 4.42Å; F101-I112 HydrophobicContact CE1-CD1 4.28Å | ||
| 102 | S | 53.6 | Low | 62.2 | Low | 33 Ų | 33 | 92 Ų | 92 | 23% | 0.231 | 47% | 0.474 | C | S | . | . | trans | -59.6 | 163.5 | -177.4 | 81.6 | 0 | 0 | 0 | 0 | 109.5 | I100 N104 D108 | I100-S102 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-N 3.42Å; S102-N104 PolarHBondContact OG-N 2.93Å; S102-N104 VanDerWaalsContact OG-N 3.13Å; S102-N104 PolarHBondContact OG-O 2.76Å; S102-D108 PolarHBondContact N-OD1 3.22Å; S102-D108 PolarHBondContact N-OD2 3.24Å; S102-D108 PolarHBondContact OG-OD2 3.15Å | ||
| 103 | S | 59.6 | Low | 62.4 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 97% | 0.965 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -60.8 | -3.1 | 172.8 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 104 | N | 64.4 | Low | 62.6 | Low | 49 Ų | 49 | 87.9 Ų | 87.9 | 26% | 0.262 | 46% | 0.463 | S | S | . | . | trans | -118.7 | 100 | 176.6 | -174.3 | -1.2 | 0 | 0 | 0 | 112.2 | S102 E106 L107 D108 | S102-N104 PolarHBondContact O-N 3.42Å; S102-N104 PolarHBondContact OG-N 2.93Å; S102-N104 VanDerWaalsContact OG-N 3.13Å; S102-N104 PolarHBondContact OG-O 2.76Å; N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 VanDerWaalsContact O-N 3.13Å; N104-E106 WeakPolarHBondContact OD1-CB 3.22Å; N104-E106 PolarHBondContact OD1-N 3.49Å; N104-L107 HydrophobicContact CB-CB 4.25Å; N104-L107 WeakPolarHBondContact O-CB 3.37Å; N104-L107 PolarHBondContact O-N 3.26Å; N104-D108 PolarHBondContact O-N 3.45Å | ||
| 105 | P | 65.5 | Low | 63.1 | Low | 84 Ų | 84 | 85.5 Ų | 85.5 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -18.8 | 178.9 | 27.6 | -35.5 | 0 | 0 | 0 | 113.9 | L107 D108 N109 | P105-L107 VanDerWaalsContact C-N 3.35Å; P105-D108 WeakPolarHBondContact CA-OD2 3.38Å; P105-N109 PolarHBondContact O-N 3.26Å; P105-N109 VanDerWaalsContact O-N 3.14Å; P105-N109 PolarHBondContact O-ND2 3.41Å |
| 106 | E | 69.6 | Low | 63.5 | Low | 154 Ų | 154 | 83.3 Ų | 83.3 | 72% | 0.72 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 174.9 | -56.5 | -176.4 | 148.6 | 0 | 0 | 111 | N104 L110 | N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 VanDerWaalsContact O-N 3.13Å; N104-E106 WeakPolarHBondContact OD1-CB 3.22Å; N104-E106 PolarHBondContact OD1-N 3.49Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.46Å |
| 107 | L | 69.2 | Low | 64.1 | Low | 15 Ų | 15 | 83.9 Ų | 83.9 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 176.8 | -177.4 | 60.4 | 0 | 0 | 0 | 111.1 | Q48 I49 N104 P105 N109 L110 M111 | Q48-L107 HydrophobicContact CB-CD2 3.8Å; I49-L107 HydrophobicContact CG1-CD1 3.83Å; N104-L107 HydrophobicContact CB-CB 4.25Å; N104-L107 WeakPolarHBondContact O-CB 3.37Å; N104-L107 PolarHBondContact O-N 3.26Å; P105-L107 VanDerWaalsContact C-N 3.35Å; L107-N109 VanDerWaalsContact C-N 3.34Å; L107-N109 PolarHBondContact O-N 2.95Å; L107-L110 PolarHBondContact O-N 3.08Å; L107-M111 HydrophobicContact CD1-CG 4.17Å; L107-M111 HydrophobicContact CG-CG 4.37Å; L107-M111 WeakPolarHBondContact O-CB 3.38Å; L107-M111 WeakPolarHBondContact O-CG 3.25Å; L107-M111 PolarHBondContact O-N 3.17Å |
| 108 | D | 67.8 | Low | 65.1 | Low | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.032 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 175.4 | -60 | -69 | 0 | 0 | 0 | 111.3 | H52 F101 S102 N104 P105 M111 I112 | H52-D108 IonicContact CE1-OD1 2.87Å; H52-D108 PolarHBondContact CE1-OD1 3.48Å; H52-D108 IonicContact NE2-OD1 3.7Å; H52-D108 PolarHBondContact NE2-OD1 2.92Å; F101-D108 VanDerWaalsContact CA-OD1 3.28Å; F101-D108 WeakPolarHBondContact CA-OD1 3.24Å; F101-D108 HydrophobicContact CD1-CB 3.7Å; F101-D108 VanDerWaalsContact CD1-CG 3.47Å; F101-D108 VanDerWaalsContact CD1-OD1 3.27Å; F101-D108 WeakPolarHBondContact CD1-OD1 3.36Å; F101-D108 HydrophobicContact CE1-CB 4.18Å; F101-D108 HydrophobicContact CG-CB 4.42Å; S102-D108 PolarHBondContact N-OD1 3.22Å; S102-D108 PolarHBondContact N-OD2 3.24Å; S102-D108 PolarHBondContact OG-OD2 3.15Å; N104-D108 PolarHBondContact O-N 3.45Å; P105-D108 WeakPolarHBondContact CA-OD2 3.38Å; D108-M111 PolarHBondContact O-N 2.98Å; D108-I112 WeakPolarHBondContact O-CB 3.46Å; D108-I112 WeakPolarHBondContact O-CD1 3.46Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.2Å; D108-I112 PolarHBondContact O-N 3Å |
| 109 | N | 72.2 | Confident | 65.8 | Low | 90 Ų | 90 | 74.8 Ų | 74.8 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.4 | -81.9 | -76.3 | 0 | 0 | 0 | 112.4 | P105 L107 I112 Q113 | P105-N109 PolarHBondContact O-N 3.26Å; P105-N109 VanDerWaalsContact O-N 3.14Å; P105-N109 PolarHBondContact O-ND2 3.41Å; L107-N109 VanDerWaalsContact C-N 3.34Å; L107-N109 PolarHBondContact O-N 2.95Å; N109-I112 PolarHBondContact O-N 3.17Å; N109-Q113 WeakPolarHBondContact O-CB 3.26Å; N109-Q113 VanDerWaalsContact O-CG 3.32Å; N109-Q113 WeakPolarHBondContact O-CG 3.32Å; N109-Q113 PolarHBondContact O-N 3.48Å |
| 110 | L | 73.8 | Confident | 66.6 | Low | 102 Ų | 102 | 77.6 Ų | 77.6 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.4 | -179.1 | 63.6 | 0 | 0 | 0 | 111.8 | E106 L107 Q113 A114 | E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.46Å; L107-L110 PolarHBondContact O-N 3.08Å; L110-Q113 PolarHBondContact O-N 3.34Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.28Å |
| 111 | M | 70.3 | Confident | 67.3 | Low | 7 Ų | 7 | 75.8 Ų | 75.8 | 3% | 0.034 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.6 | -68.9 | -70.4 | -71.2 | 0 | 0 | 111.5 | I49 H52 L54 F55 L58 L107 D108 A114 I115 | I49-M111 HydrophobicContact CG2-SD 4.25Å; H52-M111 HydrophobicContact CB-CE 4.06Å; L54-M111 HydrophobicContact CB-CB 4.17Å; L54-M111 HydrophobicContact CB-CE 4.05Å; L54-M111 HydrophobicContact CD1-CB 3.8Å; F55-M111 HydrophobicContact CB-CE 4.28Å; L58-M111 HydrophobicContact CB-CE 4.07Å; L58-M111 HydrophobicContact CD2-CE 3.54Å; L58-M111 HydrophobicContact CD2-SD 3.71Å; L58-M111 HydrophobicContact CG-CE 4.44Å; L107-M111 HydrophobicContact CD1-CG 4.17Å; L107-M111 HydrophobicContact CG-CG 4.37Å; L107-M111 WeakPolarHBondContact O-CB 3.38Å; L107-M111 WeakPolarHBondContact O-CG 3.25Å; L107-M111 PolarHBondContact O-N 3.17Å; D108-M111 PolarHBondContact O-N 2.98Å; M111-A114 PolarHBondContact O-N 3.42Å; M111-I115 WeakPolarHBondContact O-CD1 3.48Å; M111-I115 VanDerWaalsContact O-CG1 3.26Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 2.88Å |
| 112 | I | 69.1 | Low | 67.9 | Low | 58 Ų | 58 | 71.1 Ų | 71.1 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 173.9 | -71.4 | 161.2 | 0 | 0 | 0 | 111.1 | L54 F101 D108 N109 I115 Q116 | L54-I112 HydrophobicContact CD1-CD1 4.48Å; L54-I112 HydrophobicContact CD1-CG1 3.78Å; F101-I112 HydrophobicContact CE1-CD1 4.28Å; D108-I112 WeakPolarHBondContact O-CB 3.46Å; D108-I112 WeakPolarHBondContact O-CD1 3.46Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.2Å; D108-I112 PolarHBondContact O-N 3Å; N109-I112 PolarHBondContact O-N 3.17Å; I112-I115 PolarHBondContact O-N 3.31Å; I112-Q116 HydrophobicContact CG2-CG 4.46Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.34Å; I112-Q116 PolarHBondContact O-N 3.43Å |
| 113 | Q | 67.7 | Low | 68.4 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.5 | -73.3 | 177.7 | 21.2 | 0 | 0 | 112 | N109 L110 I115 Q116 V117 | N109-Q113 WeakPolarHBondContact O-CB 3.26Å; N109-Q113 VanDerWaalsContact O-CG 3.32Å; N109-Q113 WeakPolarHBondContact O-CG 3.32Å; N109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.34Å; Q113-I115 PolarHBondContact O-N 2.89Å; Q113-Q116 PolarHBondContact O-N 2.96Å; Q113-V117 WeakPolarHBondContact O-CB 3.4Å; Q113-V117 WeakPolarHBondContact O-CG2 3.17Å; Q113-V117 PolarHBondContact O-N 3.45Å |
| 114 | A | 70.8 | Confident | 68.9 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L58 L110 M111 Q116 V117 L118 | L58-A114 HydrophobicContact CD1-CB 4.13Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.28Å; M111-A114 PolarHBondContact O-N 3.42Å; A114-Q116 PolarHBondContact O-N 2.8Å; A114-V117 PolarHBondContact O-N 3.19Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 3.09Å |
| 115 | I | 68.1 | Low | 68.9 | Low | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.4 | -68.4 | 163.9 | 0 | 0 | 0 | 111.2 | L54 L57 L58 M111 I112 Q113 R119 | L54-I115 HydrophobicContact CB-CD1 4.12Å; L57-I115 HydrophobicContact CB-CD1 4.45Å; L57-I115 HydrophobicContact CD2-CD1 4.01Å; L57-I115 HydrophobicContact CD2-CG2 4.12Å; L57-I115 HydrophobicContact CG-CD1 4.2Å; L58-I115 HydrophobicContact CB-CD1 4.47Å; L58-I115 HydrophobicContact CB-CG1 4.27Å; L58-I115 HydrophobicContact CD1-CG1 3.98Å; M111-I115 WeakPolarHBondContact O-CD1 3.48Å; M111-I115 VanDerWaalsContact O-CG1 3.26Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 2.88Å; I112-I115 PolarHBondContact O-N 3.31Å; Q113-I115 PolarHBondContact O-N 2.89Å; I115-R119 VanDerWaalsContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 3.14Å |
| 116 | Q | 68 | Low | 68.8 | Low | 110 Ų | 110 | 66.8 Ų | 66.8 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177.8 | -73.9 | 172.9 | -4.6 | 0 | 0 | 112.9 | I112 Q113 A114 R119 F120 | I112-Q116 HydrophobicContact CG2-CG 4.46Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.34Å; I112-Q116 PolarHBondContact O-N 3.43Å; Q113-Q116 PolarHBondContact O-N 2.96Å; A114-Q116 PolarHBondContact O-N 2.8Å; Q116-R119 PolarHBondContact O-N 2.94Å; Q116-F120 PolarHBondContact O-N 3.49Å |
| 117 | V | 73.4 | Confident | 68.6 | Low | 102 Ų | 102 | 65.4 Ų | 65.4 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | Q113 A114 F120 H121 | Q113-V117 WeakPolarHBondContact O-CB 3.4Å; Q113-V117 WeakPolarHBondContact O-CG2 3.17Å; Q113-V117 PolarHBondContact O-N 3.45Å; A114-V117 PolarHBondContact O-N 3.19Å; V117-F120 PolarHBondContact O-N 3.07Å; V117-H121 WeakPolarHBondContact O-CB 3.32Å; V117-H121 PolarHBondContact O-N 3.27Å |
| 118 | L | 69.8 | Low | 68.2 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.3 | -68.8 | 167.2 | 0 | 0 | 0 | 111.8 | L58 V61 F62 A114 H121 L122 | L58-L118 HydrophobicContact CD1-CD1 3.59Å; V61-L118 HydrophobicContact CG1-CB 3.48Å; V61-L118 VanDerWaalsContact CG1-CB 3.48Å; V61-L118 HydrophobicContact CG1-CD1 4.06Å; V61-L118 HydrophobicContact CG1-CG 4.39Å; F62-L118 HydrophobicContact CD1-CD1 4.21Å; F62-L118 HydrophobicContact CD1-CD2 4.32Å; F62-L118 HydrophobicContact CD2-CD1 4.18Å; F62-L118 HydrophobicContact CE1-CD1 3.86Å; F62-L118 HydrophobicContact CE1-CD2 3.86Å; F62-L118 HydrophobicContact CE2-CD1 3.83Å; F62-L118 HydrophobicContact CG-CD1 4.35Å; F62-L118 HydrophobicContact CZ-CD1 3.65Å; F62-L118 HydrophobicContact CZ-CD2 4.34Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 3.09Å; L118-H121 PolarHBondContact O-N 2.61Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 2.8Å |
| 119 | R | 66.1 | Low | 68 | Low | 100 Ų | 100 | 74.5 Ų | 74.5 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 172.4 | -178.6 | -177.1 | -178.7 | -117.6 | 0.2 | 111.9 | N84 I87 I115 Q116 H121 L122 L123 | N84-R119 PolarHBondContact OD1-NH2 3.26Å; I87-R119 HydrophobicContact CD1-CG 4.4Å; I115-R119 VanDerWaalsContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 3.14Å; Q116-R119 PolarHBondContact O-N 2.94Å; R119-H121 VanDerWaalsContact C-N 3.32Å; R119-H121 PolarHBondContact O-N 2.81Å; R119-L122 PolarHBondContact O-N 2.92Å; R119-L123 HydrophobicContact CG-CD1 4.05Å; R119-L123 WeakPolarHBondContact O-CB 3.2Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.33Å |
| 120 | F | 71.4 | Confident | 67.4 | Low | 148 Ų | 148 | 75.7 Ų | 75.7 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 176.3 | -174.2 | -92 | 0 | 0 | 0 | 111.3 | Q116 V117 E124 | Q116-F120 PolarHBondContact O-N 3.49Å; V117-F120 PolarHBondContact O-N 3.07Å; F120-E124 VanDerWaalsContact O-CB 3.26Å; F120-E124 WeakPolarHBondContact O-CB 3.46Å; F120-E124 PolarHBondContact O-N 3.32Å |
| 121 | H | 68.1 | Low | 67 | Low | 105 Ų | 105 | 74.7 Ų | 74.7 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.4 | -160.7 | 66.7 | 0 | 0 | 0 | 112.5 | V117 L118 R119 E124 L125 | V117-H121 WeakPolarHBondContact O-CB 3.32Å; V117-H121 PolarHBondContact O-N 3.27Å; L118-H121 PolarHBondContact O-N 2.61Å; R119-H121 VanDerWaalsContact C-N 3.32Å; R119-H121 PolarHBondContact O-N 2.81Å; H121-E124 PolarHBondContact O-N 3.18Å; H121-L125 WeakPolarHBondContact O-CB 3.01Å; H121-L125 VanDerWaalsContact O-CG 3.26Å; H121-L125 WeakPolarHBondContact O-CG 3.33Å; H121-L125 PolarHBondContact O-N 3.41Å |
| 122 | L | 67.1 | Low | 66.6 | Low | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 177.6 | -169.7 | 70.5 | 0 | 0 | 0 | 111.6 | K64 C65 A68 F83 L118 R119 E124 L125 E126 | K64-L122 HydrophobicContact CB-CD2 4.26Å; C65-L122 HydrophobicContact CB-CD1 4.49Å; A68-L122 HydrophobicContact CB-CD1 3.57Å; F83-L122 HydrophobicContact CD1-CD2 4Å; F83-L122 HydrophobicContact CE1-CD2 3.42Å; F83-L122 VanDerWaalsContact CE1-CD2 3.42Å; F83-L122 HydrophobicContact CZ-CD2 3.76Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 2.8Å; R119-L122 PolarHBondContact O-N 2.92Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.49Å; L122-L125 PolarHBondContact O-N 2.92Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.36Å; L122-E126 PolarHBondContact O-N 3.41Å |
| 123 | L | 64.8 | Low | 66.4 | Low | 60 Ų | 60 | 81.2 Ų | 81.2 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.8 | -71.6 | 171.2 | 0 | 0 | 0 | 112 | R119 L125 K127 | R119-L123 HydrophobicContact CG-CD1 4.05Å; R119-L123 WeakPolarHBondContact O-CB 3.2Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.33Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-K127 WeakPolarHBondContact O-CB 3.43Å; L123-K127 PolarHBondContact O-N 3.03Å |
| 124 | E | 70.6 | Confident | 66.5 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 33% | 0.332 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69 | -31.3 | 175.7 | -178.7 | 68.9 | -175.6 | 0 | 0 | 112.2 | F120 H121 L122 K128 | F120-E124 VanDerWaalsContact O-CB 3.26Å; F120-E124 WeakPolarHBondContact O-CB 3.46Å; F120-E124 PolarHBondContact O-N 3.32Å; H121-E124 PolarHBondContact O-N 3.18Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.49Å; E124-K128 HydrophobicContact CG-CD 4.48Å; E124-K128 VanDerWaalsContact CG-NZ 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.33Å; E124-K128 WeakPolarHBondContact O-CD 3.46Å; E124-K128 VanDerWaalsContact O-CG 3.24Å; E124-K128 WeakPolarHBondContact O-CG 3.15Å; E124-K128 PolarHBondContact O-N 2.95Å; E124-K128 VanDerWaalsContact O-N 3.1Å; E124-K128 WeakPolarHBondContact OE1-CE 3.44Å; E124-K128 IonicContact OE1-NZ 3.99Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å |
| 125 | L | 63.4 | Low | 66.6 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -73.7 | -52.1 | 173.4 | -75 | 169.9 | 0 | 0 | 0 | 111.7 | T69 H121 L122 L123 K127 K128 V129 | T69-L125 HydrophobicContact CG2-CD1 4Å; H121-L125 WeakPolarHBondContact O-CB 3.01Å; H121-L125 VanDerWaalsContact O-CG 3.26Å; H121-L125 WeakPolarHBondContact O-CG 3.33Å; H121-L125 PolarHBondContact O-N 3.41Å; L122-L125 PolarHBondContact O-N 2.92Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.39Å; L125-K128 PolarHBondContact O-N 2.8Å; L125-K128 VanDerWaalsContact O-N 3.17Å; L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 3.44Å |
| 126 | E | 63.1 | Low | 66.7 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 175.5 | -75.1 | -176.1 | 158.1 | 0 | 0 | 110.7 | C78 S80 L122 K128 V129 H130 | C78-E126 PolarHBondContact SG-OE1 3.1Å; S80-E126 VanDerWaalsContact CB-OE2 3.23Å; S80-E126 WeakPolarHBondContact CB-OE2 3.26Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.36Å; L122-E126 PolarHBondContact O-N 3.41Å; E126-K128 PolarHBondContact O-N 2.91Å; E126-V129 PolarHBondContact O-N 2.8Å; E126-H130 WeakPolarHBondContact O-CB 3.33Å; E126-H130 PolarHBondContact O-N 3.17Å |
| 127 | K | 65.3 | Low | 66.8 | Low | 126 Ų | 126 | 86.2 Ų | 86.2 | 55% | 0.548 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.6 | -176.5 | 173.9 | -180 | 180 | 0 | 112.1 | L123 L125 V129 H130 D131 | L123-K127 WeakPolarHBondContact O-CB 3.43Å; L123-K127 PolarHBondContact O-N 3.03Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.39Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 2.93Å; K127-H130 PolarHBondContact O-N 3.43Å; K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.4Å; K127-D131 PolarHBondContact O-N 2.86Å |
| 128 | K | 61.8 | Low | 67 | Low | 114 Ų | 114 | 88.1 Ų | 88.1 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -33.4 | 175.1 | -82.3 | 170.5 | -176.6 | 147.4 | 0 | 113.4 | E124 L125 E126 L132 | E124-K128 HydrophobicContact CG-CD 4.48Å; E124-K128 VanDerWaalsContact CG-NZ 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.33Å; E124-K128 WeakPolarHBondContact O-CD 3.46Å; E124-K128 VanDerWaalsContact O-CG 3.24Å; E124-K128 WeakPolarHBondContact O-CG 3.15Å; E124-K128 PolarHBondContact O-N 2.95Å; E124-K128 VanDerWaalsContact O-N 3.1Å; E124-K128 WeakPolarHBondContact OE1-CE 3.44Å; E124-K128 IonicContact OE1-NZ 3.99Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å; L125-K128 PolarHBondContact O-N 2.8Å; L125-K128 VanDerWaalsContact O-N 3.17Å; E126-K128 PolarHBondContact O-N 2.91Å; K128-L132 WeakPolarHBondContact O-CB 3.48Å; K128-L132 PolarHBondContact O-N 3.12Å |
| 129 | V | 62.7 | Low | 67.1 | Low | 97 Ų | 97 | 95 Ų | 95 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.6 | -44.1 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L125 E126 K127 L132 C133 | L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 3.44Å; E126-V129 PolarHBondContact O-N 2.8Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 2.93Å; V129-L132 PolarHBondContact O-N 2.91Å; V129-C133 WeakPolarHBondContact O-CB 3.29Å; V129-C133 PolarHBondContact O-N 3.5Å |
| 130 | H | 59.9 | Low | 67.7 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 53% | 0.532 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 177.3 | -160.4 | -69.6 | 0 | 0 | 0 | 111.9 | E126 K127 L132 C133 D134 | E126-H130 WeakPolarHBondContact O-CB 3.33Å; E126-H130 PolarHBondContact O-N 3.17Å; K127-H130 PolarHBondContact O-N 3.43Å; H130-L132 PolarHBondContact O-N 3.43Å; H130-C133 CarbonylContact O-C 3.52Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.2Å; H130-D134 IonicContact CE1-OD1 3.14Å; H130-D134 IonicContact CE1-OD2 3.42Å; H130-D134 PolarHBondContact CE1-OD2 3.27Å; H130-D134 IonicContact ND1-OD1 3.02Å; H130-D134 IonicContact ND1-OD2 2.61Å; H130-D134 PolarHBondContact ND1-OD2 3.15Å; H130-D134 WeakPolarHBondContact O-CB 3.48Å; H130-D134 PolarHBondContact O-N 3.49Å |
| 131 | D | 66.1 | Low | 68 | Low | 81 Ų | 81 | 94.1 Ų | 94.1 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.9 | -35.9 | 175.3 | -85.1 | -44 | 0 | 0 | 0 | 111.8 | K127 N135 | K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.4Å; K127-D131 PolarHBondContact O-N 2.86Å; D131-N135 VanDerWaalsContact O-CB 3.3Å; D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 3.42Å |
| 132 | L | 62.5 | Low | 68.4 | Low | 131 Ų | 131 | 93.2 Ų | 93.2 | 69% | 0.686 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.2 | -41.8 | 174.7 | -122.7 | 71.7 | 0 | 0 | 0 | 112.4 | K128 V129 H130 N135 F136 | K128-L132 WeakPolarHBondContact O-CB 3.48Å; K128-L132 PolarHBondContact O-N 3.12Å; V129-L132 PolarHBondContact O-N 2.91Å; H130-L132 PolarHBondContact O-N 3.43Å; L132-N135 PolarHBondContact O-N 3.24Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.91Å |
| 133 | C | 64.4 | Low | 68.4 | Low | 71 Ų | 71 | 96 Ų | 96 | 48% | 0.48 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 177 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | V129 H130 N135 F136 C137 | V129-C133 WeakPolarHBondContact O-CB 3.29Å; V129-C133 PolarHBondContact O-N 3.5Å; H130-C133 CarbonylContact O-C 3.52Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.2Å; C133-N135 PolarHBondContact O-N 3.46Å; C133-F136 CarbonylContact O-C 3.57Å; C133-F136 WeakPolarHBondContact O-CB 3.47Å; C133-F136 PolarHBondContact O-N 2.83Å; C133-F136 VanDerWaalsContact O-N 3.12Å; C133-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 PolarHBondContact O-N 3.25Å; C133-C137 PolarHBondContact O-SG 3.32Å; C133-C137 VanDerWaalsContact O-SG 3.38Å |
| 134 | D | 68.9 | Low | 68.8 | Low | 79 Ų | 79 | 96.7 Ų | 96.7 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 174.6 | -81.9 | -21.2 | 0 | 0 | 0 | 111.7 | H130 F136 C137 H138 | H130-D134 IonicContact CE1-OD1 3.14Å; H130-D134 IonicContact CE1-OD2 3.42Å; H130-D134 PolarHBondContact CE1-OD2 3.27Å; H130-D134 IonicContact ND1-OD1 3.02Å; H130-D134 IonicContact ND1-OD2 2.61Å; H130-D134 PolarHBondContact ND1-OD2 3.15Å; H130-D134 WeakPolarHBondContact O-CB 3.48Å; H130-D134 PolarHBondContact O-N 3.49Å; D134-F136 PolarHBondContact O-N 3.31Å; D134-C137 PolarHBondContact O-N 3.08Å; D134-H138 WeakPolarHBondContact O-CB 3.37Å; D134-H138 PolarHBondContact O-N 3.18Å |
| 135 | N | 74.1 | Confident | 68.5 | Low | 107 Ų | 107 | 101.5 Ų | 101.5 | 57% | 0.572 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 174.9 | -113.7 | -98.9 | 0 | 0 | 0 | 112.3 | D131 L132 C133 R139 | D131-N135 VanDerWaalsContact O-CB 3.3Å; D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 3.42Å; L132-N135 PolarHBondContact O-N 3.24Å; C133-N135 PolarHBondContact O-N 3.46Å; N135-R139 VanDerWaalsContact O-CB 3.29Å; N135-R139 WeakPolarHBondContact O-CB 3.47Å; N135-R139 VanDerWaalsContact O-CG 3.3Å; N135-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 PolarHBondContact O-N 3.44Å; N135-R139 VanDerWaalsContact O-N 3.12Å |
| 136 | F | 69.2 | Low | 68.6 | Low | 142 Ų | 142 | 102.6 Ų | 102.6 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.6 | -51.5 | 177.3 | -175.5 | -97.5 | 0 | 0 | 0 | 111.1 | L132 C133 D134 R139 Y140 | L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.91Å; C133-F136 CarbonylContact O-C 3.57Å; C133-F136 WeakPolarHBondContact O-CB 3.47Å; C133-F136 PolarHBondContact O-N 2.83Å; C133-F136 VanDerWaalsContact O-N 3.12Å; D134-F136 PolarHBondContact O-N 3.31Å; F136-R139 PolarHBondContact O-N 3.05Å; F136-Y140 WeakPolarHBondContact O-CB 3.26Å; F136-Y140 PolarHBondContact O-N 3.34Å |
| 137 | C | 71.1 | Confident | 68.3 | Low | 50 Ų | 50 | 108.3 Ų | 108.3 | 34% | 0.338 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 177 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | C133 D134 R139 Y140 I141 | C133-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 PolarHBondContact O-N 3.25Å; C133-C137 PolarHBondContact O-SG 3.32Å; C133-C137 VanDerWaalsContact O-SG 3.38Å; D134-C137 PolarHBondContact O-N 3.08Å; C137-R139 PolarHBondContact O-N 3.12Å; C137-Y140 PolarHBondContact O-N 3.4Å; C137-Y140 VanDerWaalsContact O-N 3.15Å; C137-I141 WeakPolarHBondContact O-CB 3.43Å; C137-I141 WeakPolarHBondContact O-CD1 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.42Å; C137-I141 PolarHBondContact O-N 3.15Å |
| 138 | H | 75.8 | Confident | 67.6 | Low | 141 Ų | 141 | 108.7 Ų | 108.7 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.6 | -46.4 | 179.3 | -144 | 108.6 | 0 | 0 | 0 | 110.9 | D134 Y140 T142 | D134-H138 WeakPolarHBondContact O-CB 3.37Å; D134-H138 PolarHBondContact O-N 3.18Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 2.95Å; H138-T142 WeakPolarHBondContact O-CB 3.39Å; H138-T142 PolarHBondContact O-N 3.45Å; H138-T142 PolarHBondContact O-OG1 2.91Å |
| 139 | R | 73.8 | Confident | 66.9 | Low | 173 Ų | 173 | 107.7 Ų | 107.7 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -36.8 | 174.1 | -78.6 | -177.4 | 58.5 | -178.6 | -5.4 | 113.1 | N135 F136 C137 C143 | N135-R139 VanDerWaalsContact O-CB 3.29Å; N135-R139 WeakPolarHBondContact O-CB 3.47Å; N135-R139 VanDerWaalsContact O-CG 3.3Å; N135-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 PolarHBondContact O-N 3.44Å; N135-R139 VanDerWaalsContact O-N 3.12Å; F136-R139 PolarHBondContact O-N 3.05Å; C137-R139 PolarHBondContact O-N 3.12Å; R139-C143 WeakPolarHBondContact O-CB 3.4Å; R139-C143 PolarHBondContact O-N 2.86Å |
| 140 | Y | 77.2 | Confident | 66.7 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -47.5 | 179.7 | -173.4 | -111.1 | 0 | 0 | 0 | 110.8 | F136 C137 H138 C143 L144 | F136-Y140 WeakPolarHBondContact O-CB 3.26Å; F136-Y140 PolarHBondContact O-N 3.34Å; C137-Y140 PolarHBondContact O-N 3.4Å; C137-Y140 VanDerWaalsContact O-N 3.15Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 2.95Å; Y140-C143 CarbonylContact O-C 3.09Å; Y140-C143 PolarHBondContact O-N 2.87Å; Y140-L144 HydrophobicContact CD1-CD1 3.71Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CG 4.42Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.48Å |
| 141 | I | 78 | Confident | 66.1 | Low | 89 Ų | 89 | 110.4 Ų | 110.4 | 46% | 0.456 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -45.3 | 174.5 | -66.8 | 162.8 | 0 | 0 | 0 | 111 | C137 C143 L144 K145 | C137-I141 WeakPolarHBondContact O-CB 3.43Å; C137-I141 WeakPolarHBondContact O-CD1 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.42Å; C137-I141 PolarHBondContact O-N 3.15Å; I141-C143 VanDerWaalsContact C-N 3.32Å; I141-C143 PolarHBondContact O-N 3.08Å; I141-L144 PolarHBondContact O-N 2.7Å; I141-K145 HydrophobicContact CG2-CD 4.28Å; I141-K145 WeakPolarHBondContact O-CB 3.13Å; I141-K145 PolarHBondContact O-N 2.91Å |
| 142 | T | 77.7 | Confident | 65.5 | Low | 87 Ų | 87 | 114 Ų | 114 | 53% | 0.534 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.4 | -40.3 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | H138 G146 | H138-T142 WeakPolarHBondContact O-CB 3.39Å; H138-T142 PolarHBondContact O-N 3.45Å; H138-T142 PolarHBondContact O-OG1 2.91Å; T142-G146 PolarHBondContact O-N 3.12Å |
| 143 | C | 65.7 | Low | 65.1 | Low | 59 Ų | 59 | 113.9 Ų | 113.9 | 40% | 0.399 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.8 | -30.3 | 179 | -164.3 | 0 | 0 | 0 | 0 | 112.8 | R139 Y140 I141 K147 | R139-C143 WeakPolarHBondContact O-CB 3.4Å; R139-C143 PolarHBondContact O-N 2.86Å; Y140-C143 CarbonylContact O-C 3.09Å; Y140-C143 PolarHBondContact O-N 2.87Å; I141-C143 VanDerWaalsContact C-N 3.32Å; I141-C143 PolarHBondContact O-N 3.08Å; C143-K147 WeakPolarHBondContact O-CB 3.46Å; C143-K147 WeakPolarHBondContact O-CD 3.32Å; C143-K147 VanDerWaalsContact O-CG 3.23Å; C143-K147 WeakPolarHBondContact O-CG 3.03Å; C143-K147 PolarHBondContact SG-NZ 3.39Å |
| 144 | L | 73.9 | Confident | 64.5 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 40% | 0.398 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.4 | -50 | 171.3 | -82.1 | 166.6 | 0 | 0 | 0 | 111.5 | Y140 I141 G146 K147 M148 | Y140-L144 HydrophobicContact CD1-CD1 3.71Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CG 4.42Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.48Å; I141-L144 PolarHBondContact O-N 2.7Å; L144-G146 PolarHBondContact O-N 3Å; L144-K147 PolarHBondContact O-N 3.31Å; L144-M148 WeakPolarHBondContact O-CG 3.46Å; L144-M148 PolarHBondContact O-N 2.89Å |
| 145 | K | 64.2 | Low | 63.5 | Low | 172 Ų | 172 | 122 Ų | 122 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.1 | -32.6 | 176.3 | -82.7 | -174.6 | 165.6 | -177.2 | 0 | 112.9 | I141 | I141-K145 HydrophobicContact CG2-CD 4.28Å; I141-K145 WeakPolarHBondContact O-CB 3.13Å; I141-K145 PolarHBondContact O-N 2.91Å |
| 146 | G | 64.5 | Low | 62.5 | Low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 2.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T142 L144 | T142-G146 PolarHBondContact O-N 3.12Å; L144-G146 PolarHBondContact O-N 3Å |
| 147 | K | 57.1 | Low | 61.3 | Low | 157 Ų | 157 | 131.1 Ų | 131.1 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | -16.5 | -177.2 | -75.7 | 179.5 | -178.4 | 170.5 | 0 | 115 | C143 L144 P149 | C143-K147 WeakPolarHBondContact O-CB 3.46Å; C143-K147 WeakPolarHBondContact O-CD 3.32Å; C143-K147 VanDerWaalsContact O-CG 3.23Å; C143-K147 WeakPolarHBondContact O-CG 3.03Å; C143-K147 PolarHBondContact SG-NZ 3.39Å; L144-K147 PolarHBondContact O-N 3.31Å; K147-P149 WeakPolarHBondContact O-CD 3.26Å |
| 148 | M | 50.9 | Low | 59.9 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -75.7 | 120.2 | 168.5 | -68.2 | -66 | -72.6 | 0 | 0 | 108.8 | L144 T150 | L144-M148 WeakPolarHBondContact O-CG 3.46Å; L144-M148 PolarHBondContact O-N 2.89Å; M148-T150 PolarHBondContact O-N 3.4Å |
| 149 | P | 47.3 | Very low | 58.1 | Low | 93 Ų | 93 | 135.3 Ų | 135.3 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | trans | -63.9 | 128.2 | 171.4 | -17.6 | 31.6 | 0 | 0 | 0 | 109.6 | K147 D151 | K147-P149 WeakPolarHBondContact O-CD 3.26Å; P149-D151 PolarHBondContact O-N 2.97Å | ||
| 150 | T | 58.7 | Low | 56.4 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -70 | -13.9 | 177.4 | -11.2 | 0 | 0 | 0 | 0 | 113 | M148 L152 | M148-T150 PolarHBondContact O-N 3.4Å; T150-L152 PolarHBondContact O-N 3.06Å |
| 151 | D | 48.2 | Very low | 54.4 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 17.6 | -173.7 | -76.3 | -66.5 | 0 | 0 | 0 | 116.3 | P149 | P149-D151 PolarHBondContact O-N 2.97Š|
| 152 | L | 52.4 | Low | 52.6 | Low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 8.9 | 177.7 | -72.8 | 175.5 | 0 | 0 | 0 | 114.5 | T150 | T150-L152 PolarHBondContact O-N 3.06Š|
| 153 | V | 55 | Low | 50.6 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -131.8 | 4.5 | -178.3 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 154 | L | 51.4 | Low | 49.3 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -132.7 | 60.6 | 179.1 | -69.1 | 177.5 | 0 | 0 | 0 | 112.9 | ||||
| 155 | D | 47.8 | Very low | 47.6 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -134.2 | 61.8 | 159.5 | -149.3 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 156 | E | 52.3 | Low | 46.8 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -144.9 | 77.4 | 155.6 | -81.3 | -148.9 | 107 | 0 | 0 | 108.8 | ||||
| 157 | R | 44.3 | Very low | 45.6 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -149.6 | 74.8 | 169.7 | -169 | 179.7 | 142.8 | 146.5 | -6.5 | 113.1 | ||||
| 158 | E | 40.8 | Very low | 44.4 | Very low | 206 Ų | 206 | 151.4 Ų | 151.4 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -152.4 | 116.5 | 140.5 | -146.7 | 169.8 | 148.4 | 0 | 0 | 112.4 | ||||
| 159 | G | 37.9 | Very low | 43.9 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 147.4 | 114.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 160 | G | 38.9 | Very low | 43.1 | Very low | 74 Ų | 74 | 146.9 Ų | 146.9 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -66.8 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 161 | S | 35 | Very low | 42 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | cis | -163.3 | 158.6 | 42.7 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 162 | K | 40.2 | Very low | 41.2 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | -28.6 | 125.2 | 161.9 | 178.1 | -175.4 | -177.5 | 177.8 | 0 | 116.8 | ||||
| 163 | S | 36 | Very low | 40.3 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -160.9 | 130.6 | 141 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 164 | D | 38 | Very low | 39.4 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -53.2 | 146 | 167.3 | -68 | -129.6 | 0 | 0 | 0 | 114 | ||||
| 165 | M | 39.5 | Very low | 38.6 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -157.7 | 129.1 | 145.7 | -168.7 | 74 | 172.7 | 0 | 0 | 107.8 | ||||
| 166 | E | 46.8 | Very low | 38.2 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -86.1 | 164.2 | -179 | -67.4 | -159.1 | 114.1 | 0 | 0 | 113.7 | ||||
| 167 | D | 39.3 | Very low | 37.4 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 70 | 102.8 | 151.1 | -156.6 | 15.4 | 0 | 0 | 0 | 119.7 | ||||
| 168 | F | 31 | Very low | 37 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | trans | -153.9 | 106.9 | 130.6 | -141.5 | -96.8 | 0 | 0 | 0 | 111.4 | ||||
| 169 | G | 41 | Very low | 36.7 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 125.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 170 | G | 29.6 | Very low | 36.7 | Very low | 65 Ų | 65 | 134.8 Ų | 134.8 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | -166.9 | 114.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 171 | S | 35.8 | Very low | 36.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 134.4 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 172 | C | 31.3 | Very low | 36.3 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 92% | 0.919 | 80% | 0.798 | S | S | * | * | trans | -104.4 | 68.6 | 168.5 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 173 | T | 34.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -89.1 | 147.3 | 157.7 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 174 | S | 35.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | 86.5 | 114.6 | -178.6 | -162.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 175 | L | 35.7 | Very low | 36 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -143.3 | 61.8 | 159.4 | -164.7 | 79.7 | 0 | 0 | 0 | 108.8 | ||||
| 176 | S | 38.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -111.9 | -16.1 | -170.3 | -52.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 177 | E | 35.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -115 | 3.2 | -159.6 | -79.8 | 173.6 | 88.4 | 0 | 0 | 116.9 | ||
| 178 | Q | 35.3 | Very low | 35 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -99.1 | 12.5 | -170.3 | -145.3 | 167.3 | 55.9 | 0 | 0 | 116.3 | ||
| 179 | N | 35.6 | Very low | 34.9 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -106.4 | 18.9 | -173.3 | -161.3 | 37.7 | 0 | 0 | 0 | 115.6 | ||
| 180 | A | 37.6 | Very low | 34.3 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -112.3 | 18.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 181 | S | 32.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -127 | 11.1 | -166.8 | -162.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 182 | W | 34 | Very low | 34.2 | Very low | 239 Ų | 239 | 146.6 Ų | 146.6 | 91% | 0.905 | 81% | 0.811 | S | S | * | * | trans | -107.7 | 20.7 | -176.3 | -66.5 | 116.3 | 0 | 0 | 0 | 115.8 | ||||
| 183 | L | 40.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -116.5 | 80.2 | 176.8 | -94.8 | 163.3 | 0 | 0 | 0 | 112.2 | ||||
| 184 | R | 31.5 | Very low | 34.6 | Very low | 239 Ų | 239 | 147.6 Ų | 147.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -160.6 | 112.7 | 154.4 | -93.6 | -141.5 | -167.5 | -148.9 | 8.4 | 112.4 | ||||
| 185 | E | 36.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -77 | 155.2 | 146 | -66.5 | -89.8 | 101.3 | 0 | 0 | 107.5 | ||||
| 186 | P | 41.3 | Very low | 34.1 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 81% | 0.811 | S | S | * | * | -154.3 | 165.3 | 68.4 | 41.4 | -20.5 | 0 | 0 | 0 | 119.4 | |||||
| 187 | D | 28.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 52.2 | 137.9 | 144.9 | -78.6 | -72.7 | 0 | 0 | 0 | 126.3 | ||||
| 188 | E | 33 | Very low | 34.1 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 43.2 | 119.9 | 146.8 | -64 | -173.2 | 120.3 | 0 | 0 | 122.8 | ||||
| 189 | C | 29 | Very low | 33.8 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 92% | 0.919 | 81% | 0.807 | S | S | * | * | -170.5 | 152.8 | 105.1 | -165.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 190 | A | 30.1 | Very low | 33.6 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | -101.3 | 148.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 191 | T | 29.9 | Very low | 33.2 | Very low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -159.5 | 125.5 | 136.2 | -7.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 192 | T | 31.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -81.3 | 171 | 161.1 | 46.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 193 | P | 43.9 | Very low | 33.8 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | cis | -158.9 | 171.1 | 38.4 | 46.1 | -23.5 | 0 | 0 | 0 | 122.8 | ||||
| 194 | L | 30.8 | Very low | 33.3 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 75.9 | 123.3 | 141.9 | -115.4 | 63.7 | 0 | 0 | 0 | 122.7 | ||||
| 195 | G | 28.1 | Very low | 33.4 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 178.6 | 56.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 196 | T | 33.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -111.3 | 168.5 | 171 | 10.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 197 | P | 44.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -134.6 | -179.3 | 17.8 | 40.5 | -21.9 | 0 | 0 | 0 | 115.9 | ||||
| 198 | G | 29.6 | Very low | 33.2 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -171.8 | 1.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 199 | T | 29.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 57.7 | 133.4 | 155.6 | -164.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 200 | C | 30.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 60.8 | 137.7 | 144.1 | 69.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 201 | G | 29.3 | Very low | 34.4 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 147.7 | 83.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 202 | L | 30.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -92.1 | 177.2 | 158.9 | -80.5 | 164.1 | 0 | 0 | 0 | 109.5 | ||||
| 203 | P | 48.8 | Very low | 35 | Very low | 105 Ų | 105 | 123 Ų | 123 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -138 | -165.9 | -39.1 | 35.8 | -15.8 | 0 | 0 | 0 | 113.4 | ||||
| 204 | S | 29.8 | Very low | 34.9 | Very low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 97.4 | 125.6 | 141.3 | -71 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 205 | H | 33.2 | Very low | 35.3 | Very low | 176 Ų | 176 | 117.9 Ų | 117.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 50.2 | 127 | 136.8 | -68.6 | -115.6 | 0 | 0 | 0 | 121.4 | ||||
| 206 | S | 30.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -168.6 | 149 | 124.9 | -83.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 207 | T | 34.2 | Very low | 36.1 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -38.5 | 155.7 | 168 | -2.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 208 | G | 36.2 | Very low | 36.2 | Very low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | -99.8 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 209 | D | 33.6 | Very low | 36.8 | Very low | 176 Ų | 176 | 124.9 Ų | 124.9 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | trans | -156.2 | 171.7 | 169.3 | -101.4 | -47.8 | 0 | 0 | 0 | 111.3 | ||||
| 210 | N | 43.8 | Very low | 37.3 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -139.2 | 131.1 | -162.1 | -178 | 11.6 | 0 | 0 | 0 | 110.7 | ||||
| 211 | C | 40.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 168.2 | 160.7 | 144.6 | 60.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 212 | S | 40.6 | Very low | 38.7 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -32 | 164.6 | 169 | -37 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 213 | D | 34.4 | Very low | 39.1 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | cis | -165.9 | 177.3 | 33.4 | -143.1 | 20.4 | 0 | 0 | 0 | 108.3 | ||||
| 214 | A | 40.3 | Very low | 39 | Very low | 85 Ų | 85 | 119.7 Ų | 119.7 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -157.5 | -179.6 | -1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 215 | G | 40.7 | Very low | 40 | Very low | 81 Ų | 81 | 121.1 Ų | 121.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 166.6 | 79.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 216 | D | 39.1 | Very low | 39.9 | Very low | 152 Ų | 152 | 118.3 Ų | 118.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 151.9 | 168.9 | -179.6 | 49 | 0 | 0 | 0 | 111.8 | ||||
| 217 | G | 38.1 | Very low | 40.8 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 178.4 | 75.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 218 | L | 46.8 | Very low | 41 | Very low | 158 Ų | 158 | 114.8 Ų | 114.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -82 | 134.6 | 173.2 | -56.1 | 169.2 | 0 | 0 | 0 | 111.3 | ||||
| 219 | D | 43.2 | Very low | 41.5 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -158.3 | 154.9 | 132.7 | -164.9 | -138.6 | 0 | 0 | 0 | 111.4 | ||||
| 220 | G | 39.3 | Very low | 42 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | -121.5 | 135.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 221 | G | 42.4 | Very low | 42.2 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 58.5 | 116 | 131.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 222 | V | 47 | Very low | 42.6 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -132.3 | 142.5 | 143.6 | -73.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 223 | A | 39.6 | Very low | 43.2 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 224 | S | 46.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | cis | -167.3 | -168.2 | 41.7 | -131.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 225 | P | 50.2 | Low | 44.4 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -97.8 | 161.8 | -133.1 | 41.2 | -37.4 | 0 | 0 | 0 | 115.4 | ||||
| 226 | S | 31.9 | Very low | 45 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -136.6 | 131 | 151.5 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | G228 | S226-G228 PolarHBondContact O-N 2.87Š| ||
| 227 | T | 49.4 | Very low | 45.8 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -68.7 | 118.8 | 174.2 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | G | 37.7 | Very low | 46.2 | Very low | 52 Ų | 52 | 125.6 Ų | 125.6 | 54% | 0.536 | 71% | 0.712 | S | S | . | * | trans | -145.7 | 76.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S226 E230 | S226-G228 PolarHBondContact O-N 2.87Å; G228-E230 PolarHBondContact O-N 3.07Å | ||
| 229 | E | 46.5 | Very low | 46.3 | Very low | 194 Ų | 194 | 122.3 Ų | 122.3 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | trans | -74.9 | 72.4 | 175.7 | 49.2 | -166.4 | 103.5 | 0 | 0 | 110.2 | ||||
| 230 | E | 43.8 | Very low | 46.7 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -118.6 | 98.5 | -170.2 | -67.1 | -177.6 | -143.4 | 0 | 0 | 112.4 | G228 | G228-E230 PolarHBondContact O-N 3.07Š| ||
| 231 | D | 48.1 | Very low | 47 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 51% | 0.513 | 69% | 0.692 | S | S | . | * | trans | 55.9 | 81.1 | 148.6 | -157.4 | 45.2 | 0 | 0 | 0 | 119.8 | S233 | D231-S233 PolarHBondContact O-N 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.12Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.95Å | ||
| 232 | E | 48.9 | Very low | 47.3 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -9.2 | 159.8 | -77.5 | -141.2 | 101.9 | 0 | 0 | 113.6 | D234 | E232-D234 VanDerWaalsContact C-N 3.33Å; E232-D234 PolarHBondContact O-N 3Å |
| 233 | S | 53.2 | Low | 47.6 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 49% | 0.49 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -67.3 | -25.8 | -175.2 | -33.7 | 0 | 0 | 0 | 0 | 114.6 | D231 | D231-S233 PolarHBondContact O-N 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.12Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.95Å |
| 234 | D | 49.6 | Very low | 48.5 | Very low | 46 Ų | 46 | 132.9 Ų | 132.9 | 25% | 0.246 | 69% | 0.687 | C | S | . | * | H | α-helix | trans | -81.8 | -20.5 | -172 | -161.2 | -107.5 | 0 | 0 | 0 | 114 | E232 D236 R237 R238 | E232-D234 VanDerWaalsContact C-N 3.33Å; E232-D234 PolarHBondContact O-N 3Å; D234-D236 PolarHBondContact O-N 3.07Å; D234-R237 WeakPolarHBondContact O-CB 3.27Å; D234-R237 PolarHBondContact O-N 3.19Å; D234-R238 PolarHBondContact O-N 2.61Å; D234-R238 IonicContact OD1-CZ 3.15Å; D234-R238 IonicContact OD1-NE 2.77Å; D234-R238 PolarHBondContact OD1-NE 3.17Å; D234-R238 IonicContact OD1-NH2 2.69Å; D234-R238 PolarHBondContact OD1-NH2 2.81Å |
| 235 | R | 50.7 | Low | 49.7 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 179.4 | -71.4 | -178.1 | 174.9 | 177.1 | -0.8 | 112.1 | R237 R238 N239 | R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.2Å; R235-R238 PolarHBondContact O-N 2.91Å; R235-N239 PolarHBondContact O-N 3.48Å |
| 236 | D | 54.3 | Low | 51.2 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.6 | -35.4 | 174.6 | -88 | -57.8 | 0 | 0 | 0 | 112.8 | D234 R238 N239 N240 | D234-D236 PolarHBondContact O-N 3.07Å; D236-R238 PolarHBondContact O-N 2.88Å; D236-N239 PolarHBondContact O-N 3.26Å; D236-N240 PolarHBondContact O-N 3.41Å |
| 237 | R | 54.4 | Low | 53.8 | Low | 166 Ų | 166 | 129.7 Ų | 129.7 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64 | -20.6 | 176 | -64.8 | 179.8 | 174.4 | -177 | -0.2 | 113.1 | D234 R235 K241 | D234-R237 WeakPolarHBondContact O-CB 3.27Å; D234-R237 PolarHBondContact O-N 3.19Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.2Å; R237-K241 PolarHBondContact O-NZ 2.8Å |
| 238 | R | 48.1 | Very low | 55.3 | Low | 176 Ų | 176 | 131.9 Ų | 131.9 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -89.8 | -33.5 | 177 | -60.9 | -179.6 | -159.3 | -170.2 | 8.2 | 112.6 | D234 R235 D236 N240 | D234-R238 PolarHBondContact O-N 2.61Å; D234-R238 IonicContact OD1-CZ 3.15Å; D234-R238 IonicContact OD1-NE 2.77Å; D234-R238 PolarHBondContact OD1-NE 3.17Å; D234-R238 IonicContact OD1-NH2 2.69Å; D234-R238 PolarHBondContact OD1-NH2 2.81Å; R235-R238 PolarHBondContact O-N 2.91Å; D236-R238 PolarHBondContact O-N 2.88Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 3.42Å |
| 239 | N | 48.3 | Very low | 57.6 | Low | 89 Ų | 89 | 134.6 Ų | 134.6 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.8 | -26.9 | -179.8 | -160.5 | 25.6 | 0 | 0 | 0 | 113.2 | R235 D236 K241 K242 | R235-N239 PolarHBondContact O-N 3.48Å; D236-N239 PolarHBondContact O-N 3.26Å; N239-K241 PolarHBondContact O-N 3.17Å; N239-K242 PolarHBondContact O-N 2.77Å; N239-K242 PolarHBondContact OD1-NZ 3.3Å |
| 240 | N | 51 | Low | 59.5 | Low | 142 Ų | 142 | 125.5 Ų | 125.5 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 1.5 | 178.5 | -93.1 | 4.5 | 0 | 0 | 0 | 116.3 | D236 R238 | D236-N240 PolarHBondContact O-N 3.41Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 3.42Å |
| 241 | K | 45.6 | Very low | 61.6 | Low | 161 Ų | 161 | 118 Ų | 118 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -5.2 | 175.4 | -79.4 | 89.4 | 178 | -174.4 | 0 | 114.5 | R237 N239 R243 | R237-K241 PolarHBondContact O-NZ 2.8Å; N239-K241 PolarHBondContact O-N 3.17Å; K241-R243 PolarHBondContact O-N 3.31Å |
| 242 | K | 49.7 | Very low | 63.6 | Low | 159 Ų | 159 | 118 Ų | 118 | 69% | 0.691 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -75.4 | 119.1 | 172.3 | -67.7 | 168.3 | -175.5 | 156.8 | 0 | 109.1 | N239 G244 | N239-K242 PolarHBondContact O-N 2.77Å; N239-K242 PolarHBondContact OD1-NZ 3.3Å; K242-G244 PolarHBondContact O-N 3.27Å |
| 243 | R | 53.2 | Low | 65.5 | Low | 233 Ų | 233 | 113 Ų | 113 | 88% | 0.879 | 55% | 0.552 | S | S | * | * | trans | -18 | 112 | -176.3 | -78.7 | -179 | 175.1 | 168.1 | -1 | 113.6 | K241 I245 | K241-R243 PolarHBondContact O-N 3.31Å; R243-I245 PolarHBondContact O-N 3Å | ||
| 244 | G | 58.3 | Low | 67.2 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 81% | 0.814 | 53% | 0.529 | S | S | * | . | trans | -53.5 | 92.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K242 | K242-G244 PolarHBondContact O-N 3.27Š| ||
| 245 | I | 71.9 | Confident | 69 | Low | 155 Ų | 155 | 113 Ų | 113 | 80% | 0.795 | 54% | 0.538 | S | S | * | . | trans | -104.9 | 118.1 | 167 | -66.6 | 166.2 | 0 | 0 | 0 | 105.9 | R243 | R243-I245 PolarHBondContact O-N 3Š| ||
| 246 | F | 81.3 | Confident | 70.8 | Confident | 54 Ų | 54 | 106.4 Ų | 106.4 | 24% | 0.237 | 52% | 0.523 | C | S | . | . | trans | -63.7 | 152.1 | 177.7 | -62.4 | -67.2 | 0 | 0 | 0 | 111.3 | T251 M254 L281 Q285 W289 | F246-T251 PolarHBondContact O-OG1 3.16Å; F246-M254 HydrophobicContact CD2-CE 4.46Å; F246-L281 HydrophobicContact CB-CD1 4.33Å; F246-L281 HydrophobicContact CD1-CD1 3.61Å; F246-L281 HydrophobicContact CD1-CD2 3.56Å; F246-L281 HydrophobicContact CD1-CG 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.99Å; F246-L281 HydrophobicContact CE1-CD2 4.01Å; F246-L281 HydrophobicContact CG-CD1 3.94Å; F246-Q285 HydrophobicContact CE1-CB 3.84Å; F246-Q285 HydrophobicContact CE1-CG 3.94Å; F246-Q285 HydrophobicContact CZ-CB 3.92Å; F246-Q285 HydrophobicContact CZ-CG 4.2Å; F246-W289 AromaticContact CD2-CD1 3.66Å; F246-W289 HydrophobicContact CE2-CB 4.29Å; F246-W289 AromaticContact CE2-CD1 3.8Å; F246-W289 HydrophobicContact CE2-CG 4.46Å | ||
| 247 | P | 85.6 | Confident | 72.5 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | trans | -49.6 | 144.8 | 174.2 | -28.2 | 35.5 | 0 | 0 | 0 | 112.3 | V249 A250 T251 | P247-V249 VanDerWaalsContact C-N 3.26Å; P247-V249 PolarHBondContact O-N 3.36Å; P247-A250 HydrophobicContact CB-CB 4.27Å; P247-A250 PolarHBondContact O-N 2.97Å; P247-T251 PolarHBondContact O-N 3.07Å; P247-T251 PolarHBondContact O-OG1 3.22Å | ||
| 248 | K | 80.3 | Confident | 74 | Confident | 177 Ų | 177 | 94.2 Ų | 94.2 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.1 | -39.8 | -178.5 | -69.4 | -178.5 | -179.7 | 176.6 | 0 | 111.9 | T251 N252 | K248-T251 PolarHBondContact O-N 3.08Å; K248-N252 WeakPolarHBondContact O-CB 3.38Å; K248-N252 PolarHBondContact O-N 2.94Å; K248-N252 PolarHBondContact O-ND2 3.42Å; K248-N252 PolarHBondContact O-OD1 2.86Å |
| 249 | V | 86.2 | Confident | 75.6 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.5 | -54.2 | 177 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | P247 T251 N252 I253 | P247-V249 VanDerWaalsContact C-N 3.26Å; P247-V249 PolarHBondContact O-N 3.36Å; V249-T251 VanDerWaalsContact C-N 3.31Å; V249-T251 PolarHBondContact O-N 3.35Å; V249-N252 PolarHBondContact O-N 3.5Å; V249-N252 VanDerWaalsContact O-N 3.1Å; V249-I253 HydrophobicContact CG1-CD1 4.17Å; V249-I253 WeakPolarHBondContact O-CG1 3.23Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.08Å |
| 250 | A | 87.6 | Confident | 77.3 | Confident | 3 Ų | 3 | 93.9 Ų | 93.9 | 3% | 0.025 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -55.5 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P247 N252 I253 M254 T279 L281 | P247-A250 HydrophobicContact CB-CB 4.27Å; P247-A250 PolarHBondContact O-N 2.97Å; A250-N252 VanDerWaalsContact C-N 3.34Å; A250-N252 PolarHBondContact O-N 2.75Å; A250-I253 PolarHBondContact O-N 3.27Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.13Å; A250-M254 VanDerWaalsContact O-N 3.16Å; A250-T279 HydrophobicContact CB-CG2 4.17Å; A250-L281 HydrophobicContact CB-CD1 4.04Å; A250-L281 HydrophobicContact CB-CG 4.25Å |
| 251 | T | 88.2 | Confident | 78.8 | Confident | 19 Ų | 19 | 89.8 Ų | 89.8 | 12% | 0.117 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 178.3 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | F246 P247 K248 V249 R255 W289 | F246-T251 PolarHBondContact O-OG1 3.16Å; P247-T251 PolarHBondContact O-N 3.07Å; P247-T251 PolarHBondContact O-OG1 3.22Å; K248-T251 PolarHBondContact O-N 3.08Å; V249-T251 VanDerWaalsContact C-N 3.31Å; V249-T251 PolarHBondContact O-N 3.35Å; T251-R255 HydrophobicContact CG2-CG 4.44Å; T251-R255 WeakPolarHBondContact O-CB 3.44Å; T251-R255 WeakPolarHBondContact O-CG 3.38Å; T251-R255 PolarHBondContact O-N 3.43Å; T251-W289 HydrophobicContact CG2-CZ2 4.3Å |
| 252 | N | 89.6 | Confident | 80.4 | Confident | 95 Ų | 95 | 85 Ų | 85 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 178.4 | -73.2 | -7.9 | 0 | 0 | 0 | 111.9 | K248 V249 A250 R255 A256 | K248-N252 WeakPolarHBondContact O-CB 3.38Å; K248-N252 PolarHBondContact O-N 2.94Å; K248-N252 PolarHBondContact O-ND2 3.42Å; K248-N252 PolarHBondContact O-OD1 2.86Å; V249-N252 PolarHBondContact O-N 3.5Å; V249-N252 VanDerWaalsContact O-N 3.1Å; A250-N252 VanDerWaalsContact C-N 3.34Å; A250-N252 PolarHBondContact O-N 2.75Å; N252-R255 PolarHBondContact O-N 3.04Å; N252-A256 WeakPolarHBondContact O-CB 3.34Å; N252-A256 PolarHBondContact O-N 3.09Å |
| 253 | I | 88.2 | Confident | 81.5 | Confident | 51 Ų | 51 | 82 Ų | 82 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 175.4 | -65.2 | 164.6 | 0 | 0 | 0 | 110.2 | V249 A250 R255 A256 W257 L275 D278 T279 | V249-I253 HydrophobicContact CG1-CD1 4.17Å; V249-I253 WeakPolarHBondContact O-CG1 3.23Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.08Å; A250-I253 PolarHBondContact O-N 3.27Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 3.33Å; I253-A256 PolarHBondContact O-N 3.44Å; I253-W257 PolarHBondContact O-N 3.42Å; I253-W257 VanDerWaalsContact O-N 3.12Å; I253-L275 HydrophobicContact CG2-CD2 3.99Å; I253-D278 HydrophobicContact CD1-CB 4.42Å; I253-D278 WeakPolarHBondContact CD1-O 3.42Å; I253-D278 HydrophobicContact CG2-CB 4.13Å; I253-T279 HydrophobicContact CB-CG2 3.99Å; I253-T279 HydrophobicContact CD1-CG2 4.36Å; I253-T279 HydrophobicContact CG2-CG2 3.93Å |
| 254 | M | 90 | Very high | 82.5 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | 178.3 | -63.2 | -174.3 | -73 | 0 | 0 | 112.7 | F246 A250 L258 T279 L281 V286 W289 F290 | F246-M254 HydrophobicContact CD2-CE 4.46Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.13Å; A250-M254 VanDerWaalsContact O-N 3.16Å; M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.23Å; M254-L258 VanDerWaalsContact O-N 3.07Å; M254-T279 HydrophobicContact CG-CG2 3.91Å; M254-L281 HydrophobicContact CE-CD1 3.59Å; M254-L281 HydrophobicContact SD-CD1 4.1Å; M254-V286 HydrophobicContact SD-CG2 4.39Å; M254-W289 HydrophobicContact CB-CD2 3.94Å; M254-W289 HydrophobicContact CB-CE3 3.63Å; M254-W289 HydrophobicContact CB-CH2 3.71Å; M254-W289 HydrophobicContact CB-CZ2 3.99Å; M254-W289 HydrophobicContact CB-CZ3 3.52Å; M254-W289 HydrophobicContact CE-CB 4.25Å; M254-W289 HydrophobicContact CE-CD2 3.83Å; M254-W289 HydrophobicContact CE-CG 3.63Å; M254-W289 HydrophobicContact CG-CD2 4.48Å; M254-W289 HydrophobicContact CG-CE3 4.34Å; M254-W289 HydrophobicContact SD-CB 3.93Å; M254-W289 HydrophobicContact SD-CD2 3.75Å; M254-W289 HydrophobicContact SD-CE3 4Å; M254-W289 HydrophobicContact SD-CG 3.72Å; M254-F290 HydrophobicContact CB-CE2 4.21Å; M254-F290 HydrophobicContact CB-CZ 4.14Å; M254-F290 HydrophobicContact CG-CE2 4.2Å; M254-F290 HydrophobicContact SD-CE2 4.49Å |
| 255 | R | 86.1 | Confident | 83.6 | Confident | 118 Ų | 118 | 74.2 Ų | 74.2 | 45% | 0.445 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 172.9 | -78.5 | 174.8 | 176.9 | -174.8 | -2 | 112.7 | T251 N252 I253 W257 L258 F259 W289 | T251-R255 HydrophobicContact CG2-CG 4.44Å; T251-R255 WeakPolarHBondContact O-CB 3.44Å; T251-R255 WeakPolarHBondContact O-CG 3.38Å; T251-R255 PolarHBondContact O-N 3.43Å; N252-R255 PolarHBondContact O-N 3.04Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 3.33Å; R255-W257 VanDerWaalsContact C-N 3.32Å; R255-W257 PolarHBondContact O-N 3.09Å; R255-L258 PolarHBondContact O-N 3.28Å; R255-F259 HydrophobicContact CB-CD2 4.29Å; R255-F259 HydrophobicContact CB-CE2 4.09Å; R255-F259 WeakPolarHBondContact O-CD2 3.07Å; R255-F259 PolarHBondContact O-N 2.98Å; R255-W289 HydrophobicContact CB-CH2 4.5Å; R255-W289 HydrophobicContact CG-CH2 3.82Å; R255-W289 HydrophobicContact CG-CZ2 3.79Å |
| 256 | A | 89.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 74 Ų | 74 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N252 I253 L258 F259 Q260 | N252-A256 WeakPolarHBondContact O-CB 3.34Å; N252-A256 PolarHBondContact O-N 3.09Å; I253-A256 PolarHBondContact O-N 3.44Å; A256-L258 PolarHBondContact O-N 3.25Å; A256-F259 PolarHBondContact O-N 2.88Å; A256-Q260 VanDerWaalsContact O-CG 3.32Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.6Å; A256-Q260 VanDerWaalsContact O-N 3.15Å |
| 257 | W | 89.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 72 Ų | 72 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.3 | -170.3 | 96.7 | 0 | 0 | 0 | 112 | I253 R255 F259 Q260 H261 P267 L275 F290 | I253-W257 PolarHBondContact O-N 3.42Å; I253-W257 VanDerWaalsContact O-N 3.12Å; R255-W257 VanDerWaalsContact C-N 3.32Å; R255-W257 PolarHBondContact O-N 3.09Å; W257-F259 PolarHBondContact O-N 3.06Å; W257-Q260 PolarHBondContact O-N 3.4Å; W257-H261 AromaticContact CD1-CE1 3.92Å; W257-H261 AromaticContact CD2-ND1 3.6Å; W257-H261 AromaticContact CE2-CE1 3.62Å; W257-H261 AromaticContact CE2-CG 3.83Å; W257-H261 AromaticContact CE2-ND1 3.41Å; W257-H261 HydrophobicContact CE3-CB 4.18Å; W257-H261 AromaticContact CG-ND1 3.96Å; W257-H261 HydrophobicContact CH2-CB 3.66Å; W257-H261 AromaticContact CH2-CG 3.72Å; W257-H261 HydrophobicContact CZ2-CB 4.09Å; W257-H261 AromaticContact CZ2-CD2 3.79Å; W257-H261 AromaticContact CZ2-CE1 3.95Å; W257-H261 AromaticContact CZ2-CG 3.59Å; W257-H261 AromaticContact CZ2-ND1 3.69Å; W257-H261 HydrophobicContact CZ3-CB 3.73Å; W257-H261 AromaticContact NE1-CE1 3.48Å; W257-H261 PolarHBondContact NE1-CE1 3.43Å; W257-H261 AromaticContact NE1-ND1 3.7Å; W257-H261 PolarHBondContact O-N 3.02Å; W257-H261 VanDerWaalsContact O-N 3.08Å; W257-H261 PolarHBondContact O-ND1 3Å; W257-P267 VanDerWaalsContact CH2-CA 3.43Å; W257-P267 HydrophobicContact CH2-CB 3.55Å; W257-P267 HydrophobicContact CH2-CG 4.11Å; W257-P267 HydrophobicContact CZ2-CB 3.65Å; W257-P267 HydrophobicContact CZ3-CB 4.03Å; W257-P267 HydrophobicContact CZ3-CG 4.18Å; W257-L275 HydrophobicContact CB-CD1 4.48Å; W257-L275 HydrophobicContact CB-CD2 4.06Å; W257-L275 HydrophobicContact CD2-CD1 4.13Å; W257-L275 HydrophobicContact CG-CD1 3.97Å; W257-L275 HydrophobicContact CG-CD2 4.23Å; W257-F290 HydrophobicContact CD2-CE1 4.43Å; W257-F290 HydrophobicContact CD2-CZ 4.31Å; W257-F290 HydrophobicContact CE3-CD1 4.39Å; W257-F290 AromaticContact CE3-CE1 3.42Å; W257-F290 HydrophobicContact CE3-CE1 3.42Å; W257-F290 VanDerWaalsContact CE3-CE1 3.42Å; W257-F290 AromaticContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CZ3-CD1 4.38Å; W257-F290 AromaticContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CZ 4.41Å |
| 258 | L | 87.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 179.9 | -177.3 | 65.9 | 0 | 0 | 0 | 112.7 | M254 R255 A256 H261 L262 P265 W289 F290 A293 I297 V298 | M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.23Å; M254-L258 VanDerWaalsContact O-N 3.07Å; R255-L258 PolarHBondContact O-N 3.28Å; A256-L258 PolarHBondContact O-N 3.25Å; L258-H261 CarbonylContact O-C 3.6Å; L258-H261 PolarHBondContact O-N 2.87Å; L258-L262 PolarHBondContact O-N 3.5Å; L258-P265 HydrophobicContact CD1-CB 3.73Å; L258-W289 HydrophobicContact CB-CZ3 4.43Å; L258-W289 HydrophobicContact CD2-CH2 4.06Å; L258-W289 HydrophobicContact CD2-CZ3 4.16Å; L258-F290 HydrophobicContact CB-CE1 4.1Å; L258-F290 HydrophobicContact CD1-CD1 4.28Å; L258-F290 HydrophobicContact CD1-CE1 4.2Å; L258-A293 HydrophobicContact CD2-CB 3.78Å; L258-I297 HydrophobicContact CD2-CD1 4.07Å; L258-V298 HydrophobicContact CD1-CG2 4.22Å |
| 259 | F | 81.6 | Confident | 85 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.6 | -32.4 | 178.6 | -72.2 | -57 | 0 | 0 | 0 | 112.8 | R255 A256 W257 H261 L262 | R255-F259 HydrophobicContact CB-CD2 4.29Å; R255-F259 HydrophobicContact CB-CE2 4.09Å; R255-F259 WeakPolarHBondContact O-CD2 3.07Å; R255-F259 PolarHBondContact O-N 2.98Å; A256-F259 PolarHBondContact O-N 2.88Å; W257-F259 PolarHBondContact O-N 3.06Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å |
| 260 | Q | 83.9 | Confident | 85 | Confident | 146 Ų | 146 | 69.1 Ų | 69.1 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.8 | -31.1 | 172.4 | -69.9 | 167.5 | 1.1 | 0 | 0 | 112.4 | A256 W257 | A256-Q260 VanDerWaalsContact O-CG 3.32Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.6Å; A256-Q260 VanDerWaalsContact O-N 3.15Å; W257-Q260 PolarHBondContact O-N 3.4Å |
| 261 | H | 83 | Confident | 85.1 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 35.6 | -175.6 | -58.7 | 81.5 | 0 | 0 | 0 | 112.7 | W257 L258 F259 S263 H264 P265 | W257-H261 AromaticContact CD1-CE1 3.92Å; W257-H261 AromaticContact CD2-ND1 3.6Å; W257-H261 AromaticContact CE2-CE1 3.62Å; W257-H261 AromaticContact CE2-CG 3.83Å; W257-H261 AromaticContact CE2-ND1 3.41Å; W257-H261 HydrophobicContact CE3-CB 4.18Å; W257-H261 AromaticContact CG-ND1 3.96Å; W257-H261 HydrophobicContact CH2-CB 3.66Å; W257-H261 AromaticContact CH2-CG 3.72Å; W257-H261 HydrophobicContact CZ2-CB 4.09Å; W257-H261 AromaticContact CZ2-CD2 3.79Å; W257-H261 AromaticContact CZ2-CE1 3.95Å; W257-H261 AromaticContact CZ2-CG 3.59Å; W257-H261 AromaticContact CZ2-ND1 3.69Å; W257-H261 HydrophobicContact CZ3-CB 3.73Å; W257-H261 AromaticContact NE1-CE1 3.48Å; W257-H261 PolarHBondContact NE1-CE1 3.43Å; W257-H261 AromaticContact NE1-ND1 3.7Å; W257-H261 PolarHBondContact O-N 3.02Å; W257-H261 VanDerWaalsContact O-N 3.08Å; W257-H261 PolarHBondContact O-ND1 3Å; L258-H261 CarbonylContact O-C 3.6Å; L258-H261 PolarHBondContact O-N 2.87Å; F259-H261 VanDerWaalsContact C-N 3.32Å; H261-S263 PolarHBondContact O-N 3.37Å; H261-H264 CarbonylContact O-C 3.59Å; H261-H264 PolarHBondContact O-N 2.92Å; H261-P265 WeakPolarHBondContact O-CA 3.32Å |
| 262 | L | 78.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -57.8 | -33.1 | -179.6 | -85.3 | 166.9 | 0 | 0 | 0 | 113.9 | L258 F259 V298 M301 | L258-L262 PolarHBondContact O-N 3.5Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å; L262-V298 HydrophobicContact CD2-CG2 4.23Å; L262-M301 HydrophobicContact CD2-CE 4.48Å; L262-M301 HydrophobicContact CD2-SD 4.37Å |
| 263 | S | 71.3 | Confident | 85.3 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -70.3 | -38.5 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | H261 | H261-S263 PolarHBondContact O-N 3.37Š|
| 264 | H | 74.3 | Confident | 85.4 | Confident | 142 Ų | 142 | 74.2 Ų | 74.2 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | trans | -134.1 | 75.4 | 179.3 | -64.5 | -69.3 | 0 | 0 | 0 | 111 | H261 Y266 | H261-H264 CarbonylContact O-C 3.59Å; H261-H264 PolarHBondContact O-N 2.92Å; H264-Y266 PolarHBondContact O-N 2.79Å | ||
| 265 | P | 82 | Confident | 85.5 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | trans | -78.2 | 56 | -178 | 35.2 | -41.2 | 0 | 0 | 0 | 111.9 | L258 H261 R294 V298 | L258-P265 HydrophobicContact CD1-CB 3.73Å; H261-P265 WeakPolarHBondContact O-CA 3.32Å; P265-R294 HydrophobicContact CB-CG 4.37Å; P265-R294 HydrophobicContact CG-CG 3.86Å; P265-R294 PolarHBondContact O-NH1 2.92Å; P265-V298 HydrophobicContact CB-CG2 4.25Å; P265-V298 HydrophobicContact CG-CG1 4.19Å; P265-V298 HydrophobicContact CG-CG2 4.25Å | ||
| 266 | Y | 84.7 | Confident | 85.8 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | trans | -133.1 | 82.4 | -178.9 | -69 | -100.2 | 0 | 0 | 0 | 107.7 | H264 S268 R294 | H264-Y266 PolarHBondContact O-N 2.79Å; Y266-S268 PolarHBondContact O-N 2.92Å; Y266-R294 VanDerWaalsContact CD1-NH1 3.34Å; Y266-R294 PolarHBondContact OH-NH2 3.07Å | ||
| 267 | P | 86.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | trans | -60.3 | 135.9 | 177.2 | 23.4 | -31.5 | 0 | 0 | 0 | 109.7 | W257 Q271 K272 L275 F290 | W257-P267 VanDerWaalsContact CH2-CA 3.43Å; W257-P267 HydrophobicContact CH2-CB 3.55Å; W257-P267 HydrophobicContact CH2-CG 4.11Å; W257-P267 HydrophobicContact CZ2-CB 3.65Å; W257-P267 HydrophobicContact CZ3-CB 4.03Å; W257-P267 HydrophobicContact CZ3-CG 4.18Å; P267-Q271 HydrophobicContact CB-CB 3.98Å; P267-K272 HydrophobicContact CB-CG 4.08Å; P267-K272 HydrophobicContact CG-CG 4.02Å; P267-K272 WeakPolarHBondContact O-CE 3.44Å; P267-L275 HydrophobicContact CB-CD1 4.49Å; P267-F290 HydrophobicContact CG-CD1 4.27Å; P267-F290 HydrophobicContact CG-CD2 4.19Å; P267-F290 HydrophobicContact CG-CG 4.07Å | ||
| 268 | S | 88.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | trans | -62.9 | 165.2 | 171.7 | 70.8 | 0 | 0 | 0 | 0 | 110.9 | Y266 E270 Q271 K272 | Y266-S268 PolarHBondContact O-N 2.92Å; S268-E270 PolarHBondContact O-N 2.96Å; S268-Q271 PolarHBondContact O-N 2.87Å; S268-Q271 WeakPolarHBondContact OG-CG 3.37Å; S268-Q271 PolarHBondContact OG-N 3.45Å; S268-Q271 PolarHBondContact OG-OE1 3.34Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.31Å | ||
| 269 | E | 88.1 | Confident | 86 | Confident | 135 Ų | 135 | 77.4 Ų | 77.4 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | 178.8 | -161.1 | -171.7 | 127.4 | 0 | 0 | 112.4 | K272 K273 | E269-K272 WeakPolarHBondContact O-CB 3.17Å; E269-K272 PolarHBondContact O-N 3.24Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 VanDerWaalsContact O-N 3.07Å; E269-K273 WeakPolarHBondContact OE1-CE 3.48Å; E269-K273 IonicContact OE1-NZ 3.17Å; E269-K273 PolarHBondContact OE1-NZ 3.47Å; E269-K273 VanDerWaalsContact OE1-NZ 3.14Å |
| 270 | E | 88.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 75.4 Ų | 75.4 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 177.5 | -158.6 | 53.5 | -139 | 0 | 0 | 112.2 | S268 K272 K273 Q274 | S268-E270 PolarHBondContact O-N 2.96Å; E270-K272 VanDerWaalsContact C-N 3.26Å; E270-K272 PolarHBondContact O-N 2.78Å; E270-K273 WeakPolarHBondContact O-CB 3.42Å; E270-K273 PolarHBondContact O-N 3.1Å; E270-K273 VanDerWaalsContact O-N 3.09Å; E270-K273 IonicContact OE2-NZ 2.97Å; E270-K273 PolarHBondContact OE2-NZ 3.38Å; E270-Q274 PolarHBondContact O-N 2.92Å |
| 271 | Q | 88.6 | Confident | 86.6 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 173.4 | -71.3 | 169.1 | -34.5 | 0 | 0 | 111.8 | P267 S268 Q274 L275 | P267-Q271 HydrophobicContact CB-CB 3.98Å; S268-Q271 PolarHBondContact O-N 2.87Å; S268-Q271 WeakPolarHBondContact OG-CG 3.37Å; S268-Q271 PolarHBondContact OG-N 3.45Å; S268-Q271 PolarHBondContact OG-OE1 3.34Å; Q271-Q274 PolarHBondContact O-N 3.47Å; Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 WeakPolarHBondContact O-CD1 3.4Å; Q271-L275 WeakPolarHBondContact O-CG 3.27Å; Q271-L275 PolarHBondContact O-N 3.26Å |
| 272 | K | 91.2 | Very high | 87 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67 | -36.7 | 173.2 | -66.6 | 168.7 | -175.3 | -172.7 | 0 | 112.4 | P267 S268 E269 E270 S276 N287 | P267-K272 HydrophobicContact CB-CG 4.08Å; P267-K272 HydrophobicContact CG-CG 4.02Å; P267-K272 WeakPolarHBondContact O-CE 3.44Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.31Å; E269-K272 WeakPolarHBondContact O-CB 3.17Å; E269-K272 PolarHBondContact O-N 3.24Å; E270-K272 VanDerWaalsContact C-N 3.26Å; E270-K272 PolarHBondContact O-N 2.78Å; K272-S276 VanDerWaalsContact O-CB 3.27Å; K272-S276 WeakPolarHBondContact O-CB 3.44Å; K272-S276 PolarHBondContact O-N 3.23Å; K272-N287 VanDerWaalsContact CD-OD1 3.27Å; K272-N287 WeakPolarHBondContact CD-OD1 3.29Å; K272-N287 WeakPolarHBondContact CE-OD1 3.42Å; K272-N287 PolarHBondContact NZ-OD1 3.44Å |
| 273 | K | 90.7 | Very high | 87.4 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 173.7 | -70.2 | 170.7 | -166.9 | 158.4 | 0 | 110.9 | E269 E270 S276 Q277 I283 | E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 VanDerWaalsContact O-N 3.07Å; E269-K273 WeakPolarHBondContact OE1-CE 3.48Å; E269-K273 IonicContact OE1-NZ 3.17Å; E269-K273 PolarHBondContact OE1-NZ 3.47Å; E269-K273 VanDerWaalsContact OE1-NZ 3.14Å; E270-K273 WeakPolarHBondContact O-CB 3.42Å; E270-K273 PolarHBondContact O-N 3.1Å; E270-K273 VanDerWaalsContact O-N 3.09Å; E270-K273 IonicContact OE2-NZ 2.97Å; E270-K273 PolarHBondContact OE2-NZ 3.38Å; K273-S276 WeakPolarHBondContact O-CB 3.35Å; K273-S276 PolarHBondContact O-N 3.4Å; K273-Q277 WeakPolarHBondContact O-CG 3.34Å; K273-Q277 PolarHBondContact O-N 3.09Å; K273-I283 HydrophobicContact CG-CD1 4.01Å |
| 274 | Q | 90.9 | Very high | 88.3 | Confident | 87 Ų | 87 | 72 Ų | 72 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 175.8 | -169.3 | 62.1 | 56.1 | 0 | 0 | 111.5 | E270 Q271 S276 Q277 D278 | E270-Q274 PolarHBondContact O-N 2.92Å; Q271-Q274 PolarHBondContact O-N 3.47Å; Q274-S276 PolarHBondContact O-N 3.04Å; Q274-Q277 WeakPolarHBondContact O-CB 3.22Å; Q274-Q277 PolarHBondContact O-N 3.05Å; Q274-Q277 VanDerWaalsContact O-N 3.07Å; Q274-D278 PolarHBondContact NE2-OD1 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å |
| 275 | L | 91.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -30.4 | 177.5 | -71.1 | 163.8 | 0 | 0 | 0 | 112.5 | I253 W257 P267 Q271 T279 V286 F290 | I253-L275 HydrophobicContact CG2-CD2 3.99Å; W257-L275 HydrophobicContact CB-CD1 4.48Å; W257-L275 HydrophobicContact CB-CD2 4.06Å; W257-L275 HydrophobicContact CD2-CD1 4.13Å; W257-L275 HydrophobicContact CG-CD1 3.97Å; W257-L275 HydrophobicContact CG-CD2 4.23Å; P267-L275 HydrophobicContact CB-CD1 4.49Å; Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 WeakPolarHBondContact O-CD1 3.4Å; Q271-L275 WeakPolarHBondContact O-CG 3.27Å; Q271-L275 PolarHBondContact O-N 3.26Å; L275-T279 VanDerWaalsContact O-CB 3.26Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 WeakPolarHBondContact O-CG2 3.3Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 VanDerWaalsContact O-N 3.17Å; L275-T279 PolarHBondContact O-OG1 2.81Å; L275-V286 HydrophobicContact CB-CG1 4.03Å; L275-F290 HydrophobicContact CD1-CE2 3.75Å; L275-F290 HydrophobicContact CD1-CZ 3.88Å |
| 276 | S | 92.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | K272 K273 Q274 G280 L281 I283 | K272-S276 VanDerWaalsContact O-CB 3.27Å; K272-S276 WeakPolarHBondContact O-CB 3.44Å; K272-S276 PolarHBondContact O-N 3.23Å; K273-S276 WeakPolarHBondContact O-CB 3.35Å; K273-S276 PolarHBondContact O-N 3.4Å; Q274-S276 PolarHBondContact O-N 3.04Å; S276-G280 PolarHBondContact O-N 3.21Å; S276-G280 VanDerWaalsContact O-N 3.09Å; S276-L281 WeakPolarHBondContact CA-O 3.46Å; S276-L281 WeakPolarHBondContact CB-O 3.45Å; S276-L281 PolarHBondContact O-N 3.25Å; S276-L281 PolarHBondContact OG-O 2.97Å; S276-I283 PolarHBondContact OG-N 3.2Å |
| 277 | Q | 91.7 | Very high | 89.4 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64 | -50.8 | 174.9 | -66 | 171.4 | 28.4 | 0 | 0 | 111.6 | K273 Q274 T279 G280 | K273-Q277 WeakPolarHBondContact O-CG 3.34Å; K273-Q277 PolarHBondContact O-N 3.09Å; Q274-Q277 WeakPolarHBondContact O-CB 3.22Å; Q274-Q277 PolarHBondContact O-N 3.05Å; Q274-Q277 VanDerWaalsContact O-N 3.07Å; Q277-T279 VanDerWaalsContact C-N 3.27Å; Q277-T279 PolarHBondContact O-N 3.39Å; Q277-G280 PolarHBondContact O-N 3.45Å |
| 278 | D | 89.9 | Confident | 89.5 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -28.5 | -176 | -61.5 | -15 | 0 | 0 | 0 | 113.2 | I253 Q274 | I253-D278 HydrophobicContact CD1-CB 4.42Å; I253-D278 WeakPolarHBondContact CD1-O 3.42Å; I253-D278 HydrophobicContact CG2-CB 4.13Å; Q274-D278 PolarHBondContact NE2-OD1 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å |
| 279 | T | 89.2 | Confident | 89.6 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -100.1 | -12.8 | -176.5 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | A250 I253 M254 L275 Q277 L281 | A250-T279 HydrophobicContact CB-CG2 4.17Å; I253-T279 HydrophobicContact CB-CG2 3.99Å; I253-T279 HydrophobicContact CD1-CG2 4.36Å; I253-T279 HydrophobicContact CG2-CG2 3.93Å; M254-T279 HydrophobicContact CG-CG2 3.91Å; L275-T279 VanDerWaalsContact O-CB 3.26Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 WeakPolarHBondContact O-CG2 3.3Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 VanDerWaalsContact O-N 3.17Å; L275-T279 PolarHBondContact O-OG1 2.81Å; Q277-T279 VanDerWaalsContact C-N 3.27Å; Q277-T279 PolarHBondContact O-N 3.39Å; T279-L281 PolarHBondContact O-N 3.29Å; T279-L281 WeakPolarHBondContact OG1-CB 3.47Å; T279-L281 PolarHBondContact OG1-N 3.12Å |
| 280 | G | 88.7 | Confident | 89.7 | Confident | 71 Ų | 71 | 59 Ų | 59 | 73% | 0.732 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 12.6 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | S276 Q277 | S276-G280 PolarHBondContact O-N 3.21Å; S276-G280 VanDerWaalsContact O-N 3.09Å; Q277-G280 PolarHBondContact O-N 3.45Å |
| 281 | L | 89.6 | Confident | 89.6 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | trans | -94.1 | 151.9 | 178.4 | -59.7 | -179.1 | 0 | 0 | 0 | 110.5 | F246 A250 M254 S276 T279 Q285 V286 | F246-L281 HydrophobicContact CB-CD1 4.33Å; F246-L281 HydrophobicContact CD1-CD1 3.61Å; F246-L281 HydrophobicContact CD1-CD2 3.56Å; F246-L281 HydrophobicContact CD1-CG 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.99Å; F246-L281 HydrophobicContact CE1-CD2 4.01Å; F246-L281 HydrophobicContact CG-CD1 3.94Å; A250-L281 HydrophobicContact CB-CD1 4.04Å; A250-L281 HydrophobicContact CB-CG 4.25Å; M254-L281 HydrophobicContact CE-CD1 3.59Å; M254-L281 HydrophobicContact SD-CD1 4.1Å; S276-L281 WeakPolarHBondContact CA-O 3.46Å; S276-L281 WeakPolarHBondContact CB-O 3.45Å; S276-L281 PolarHBondContact O-N 3.25Å; S276-L281 PolarHBondContact OG-O 2.97Å; T279-L281 PolarHBondContact O-N 3.29Å; T279-L281 WeakPolarHBondContact OG1-CB 3.47Å; T279-L281 PolarHBondContact OG1-N 3.12Å; L281-Q285 HydrophobicContact CB-CB 4.12Å; L281-V286 HydrophobicContact CB-CG2 3.99Å | ||
| 282 | T | 90.8 | Very high | 89.5 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | trans | -67 | 150.6 | 174.2 | 70.7 | 0 | 0 | 0 | 0 | 111 | L284 Q285 V286 | T282-L284 PolarHBondContact O-N 3.12Å; T282-Q285 WeakPolarHBondContact O-CA 3.25Å; T282-Q285 WeakPolarHBondContact O-CB 3.41Å; T282-Q285 PolarHBondContact O-N 3.49Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.31Å; T282-Q285 PolarHBondContact OG1-N 2.76Å; T282-Q285 PolarHBondContact OG1-OE1 3.38Å; T282-V286 PolarHBondContact O-N 3.49Å | ||
| 283 | I | 88 | Confident | 89.3 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.1 | -34.2 | 175.5 | -62.1 | 172.9 | 0 | 0 | 0 | 111.2 | K273 S276 N287 | K273-I283 HydrophobicContact CG-CD1 4.01Å; S276-I283 PolarHBondContact OG-N 3.2Å; I283-N287 WeakPolarHBondContact O-CB 3.45Å; I283-N287 PolarHBondContact O-N 3.29Å; I283-N287 PolarHBondContact O-ND2 3.44Å |
| 284 | L | 88.8 | Confident | 89.1 | Confident | 120 Ų | 120 | 55 Ų | 55 | 63% | 0.628 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 175 | -176.7 | 60.4 | 0 | 0 | 0 | 112.8 | T282 N287 N288 | T282-L284 PolarHBondContact O-N 3.12Å; L284-N287 PolarHBondContact O-N 2.99Å; L284-N288 WeakPolarHBondContact CD1-ND2 3.47Å; L284-N288 WeakPolarHBondContact O-CB 3.48Å; L284-N288 PolarHBondContact O-N 3.15Å; L284-N288 PolarHBondContact O-ND2 3.33Å |
| 285 | Q | 87.7 | Confident | 88.7 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 175 | -74.6 | 168.2 | -30.7 | 0 | 0 | 111.4 | F246 L281 T282 N288 W289 | F246-Q285 HydrophobicContact CE1-CB 3.84Å; F246-Q285 HydrophobicContact CE1-CG 3.94Å; F246-Q285 HydrophobicContact CZ-CB 3.92Å; F246-Q285 HydrophobicContact CZ-CG 4.2Å; L281-Q285 HydrophobicContact CB-CB 4.12Å; T282-Q285 WeakPolarHBondContact O-CA 3.25Å; T282-Q285 WeakPolarHBondContact O-CB 3.41Å; T282-Q285 PolarHBondContact O-N 3.49Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.31Å; T282-Q285 PolarHBondContact OG1-N 2.76Å; T282-Q285 PolarHBondContact OG1-OE1 3.38Å; Q285-N288 PolarHBondContact O-N 2.81Å; Q285-W289 WeakPolarHBondContact O-CB 3.39Å; Q285-W289 PolarHBondContact O-N 2.79Å |
| 286 | V | 88.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | M254 L275 L281 T282 N288 W289 F290 | M254-V286 HydrophobicContact SD-CG2 4.39Å; L275-V286 HydrophobicContact CB-CG1 4.03Å; L281-V286 HydrophobicContact CB-CG2 3.99Å; T282-V286 PolarHBondContact O-N 3.49Å; V286-N288 PolarHBondContact O-N 3.46Å; V286-W289 WeakPolarHBondContact O-CB 3.37Å; V286-W289 PolarHBondContact O-N 2.91Å; V286-F290 HydrophobicContact CG1-CD2 3.78Å; V286-F290 HydrophobicContact CG1-CE2 3.82Å; V286-F290 WeakPolarHBondContact O-CD2 3.2Å; V286-F290 PolarHBondContact O-N 3.44Å |
| 287 | N | 88 | Confident | 87.5 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.2 | -50.3 | 175.6 | -86 | -57.9 | 0 | 0 | 0 | 112.6 | K272 I283 L284 W289 F290 I291 | K272-N287 VanDerWaalsContact CD-OD1 3.27Å; K272-N287 WeakPolarHBondContact CD-OD1 3.29Å; K272-N287 WeakPolarHBondContact CE-OD1 3.42Å; K272-N287 PolarHBondContact NZ-OD1 3.44Å; I283-N287 WeakPolarHBondContact O-CB 3.45Å; I283-N287 PolarHBondContact O-N 3.29Å; I283-N287 PolarHBondContact O-ND2 3.44Å; L284-N287 PolarHBondContact O-N 2.99Å; N287-W289 VanDerWaalsContact C-N 3.3Å; N287-W289 PolarHBondContact O-N 2.81Å; N287-F290 PolarHBondContact O-N 3.26Å; N287-I291 VanDerWaalsContact O-CG1 3.31Å; N287-I291 WeakPolarHBondContact O-CG1 3.3Å; N287-I291 PolarHBondContact O-N 3.43Å |
| 288 | N | 88.1 | Confident | 86.7 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 179.2 | -81.1 | -72.8 | 0 | 0 | 0 | 112.1 | L284 Q285 V286 N292 | L284-N288 WeakPolarHBondContact CD1-ND2 3.47Å; L284-N288 WeakPolarHBondContact O-CB 3.48Å; L284-N288 PolarHBondContact O-N 3.15Å; L284-N288 PolarHBondContact O-ND2 3.33Å; Q285-N288 PolarHBondContact O-N 2.81Å; V286-N288 PolarHBondContact O-N 3.46Å; N288-N292 WeakPolarHBondContact O-CB 3.4Å; N288-N292 PolarHBondContact O-N 3.36Å; N288-N292 VanDerWaalsContact O-N 3.09Å |
| 289 | W | 90.9 | Very high | 85.7 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 175.4 | -170.6 | 94.4 | 0 | 0 | 0 | 111.5 | F246 T251 M254 R255 L258 Q285 V286 N287 I291 N292 A293 | F246-W289 AromaticContact CD2-CD1 3.66Å; F246-W289 HydrophobicContact CE2-CB 4.29Å; F246-W289 AromaticContact CE2-CD1 3.8Å; F246-W289 HydrophobicContact CE2-CG 4.46Å; T251-W289 HydrophobicContact CG2-CZ2 4.3Å; M254-W289 HydrophobicContact CB-CD2 3.94Å; M254-W289 HydrophobicContact CB-CE3 3.63Å; M254-W289 HydrophobicContact CB-CH2 3.71Å; M254-W289 HydrophobicContact CB-CZ2 3.99Å; M254-W289 HydrophobicContact CB-CZ3 3.52Å; M254-W289 HydrophobicContact CE-CB 4.25Å; M254-W289 HydrophobicContact CE-CD2 3.83Å; M254-W289 HydrophobicContact CE-CG 3.63Å; M254-W289 HydrophobicContact CG-CD2 4.48Å; M254-W289 HydrophobicContact CG-CE3 4.34Å; M254-W289 HydrophobicContact SD-CB 3.93Å; M254-W289 HydrophobicContact SD-CD2 3.75Å; M254-W289 HydrophobicContact SD-CE3 4Å; M254-W289 HydrophobicContact SD-CG 3.72Å; R255-W289 HydrophobicContact CB-CH2 4.5Å; R255-W289 HydrophobicContact CG-CH2 3.82Å; R255-W289 HydrophobicContact CG-CZ2 3.79Å; L258-W289 HydrophobicContact CB-CZ3 4.43Å; L258-W289 HydrophobicContact CD2-CH2 4.06Å; L258-W289 HydrophobicContact CD2-CZ3 4.16Å; Q285-W289 WeakPolarHBondContact O-CB 3.39Å; Q285-W289 PolarHBondContact O-N 2.79Å; V286-W289 WeakPolarHBondContact O-CB 3.37Å; V286-W289 PolarHBondContact O-N 2.91Å; N287-W289 VanDerWaalsContact C-N 3.3Å; N287-W289 PolarHBondContact O-N 2.81Å; W289-I291 PolarHBondContact O-N 2.9Å; W289-N292 PolarHBondContact O-N 2.83Å; W289-A293 HydrophobicContact CD2-CB 4.3Å; W289-A293 HydrophobicContact CE3-CB 3.92Å; W289-A293 HydrophobicContact CH2-CB 3.9Å; W289-A293 HydrophobicContact CZ2-CB 4.29Å; W289-A293 HydrophobicContact CZ3-CB 3.7Å; W289-A293 VanDerWaalsContact O-CB 3.25Å; W289-A293 WeakPolarHBondContact O-CB 3.36Å; W289-A293 PolarHBondContact O-N 2.56Å |
| 290 | F | 91 | Very high | 84.8 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 179.6 | -86.3 | -74.9 | 0 | 0 | 0 | 113.4 | M254 W257 L258 P267 L275 V286 N287 N292 R294 | M254-F290 HydrophobicContact CB-CE2 4.21Å; M254-F290 HydrophobicContact CB-CZ 4.14Å; M254-F290 HydrophobicContact CG-CE2 4.2Å; M254-F290 HydrophobicContact SD-CE2 4.49Å; W257-F290 HydrophobicContact CD2-CE1 4.43Å; W257-F290 HydrophobicContact CD2-CZ 4.31Å; W257-F290 HydrophobicContact CE3-CD1 4.39Å; W257-F290 AromaticContact CE3-CE1 3.42Å; W257-F290 HydrophobicContact CE3-CE1 3.42Å; W257-F290 VanDerWaalsContact CE3-CE1 3.42Å; W257-F290 AromaticContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CZ3-CD1 4.38Å; W257-F290 AromaticContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CZ 4.41Å; L258-F290 HydrophobicContact CB-CE1 4.1Å; L258-F290 HydrophobicContact CD1-CD1 4.28Å; L258-F290 HydrophobicContact CD1-CE1 4.2Å; P267-F290 HydrophobicContact CG-CD1 4.27Å; P267-F290 HydrophobicContact CG-CD2 4.19Å; P267-F290 HydrophobicContact CG-CG 4.07Å; L275-F290 HydrophobicContact CD1-CE2 3.75Å; L275-F290 HydrophobicContact CD1-CZ 3.88Å; V286-F290 HydrophobicContact CG1-CD2 3.78Å; V286-F290 HydrophobicContact CG1-CE2 3.82Å; V286-F290 WeakPolarHBondContact O-CD2 3.2Å; V286-F290 PolarHBondContact O-N 3.44Å; N287-F290 PolarHBondContact O-N 3.26Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.17Å; F290-R294 WeakPolarHBondContact O-CB 3.2Å; F290-R294 PolarHBondContact O-N 3.05Å |
| 291 | I | 85.9 | Confident | 83.7 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.4 | -66.6 | 164.1 | 0 | 0 | 0 | 110.6 | N287 W289 R295 | N287-I291 VanDerWaalsContact O-CG1 3.31Å; N287-I291 WeakPolarHBondContact O-CG1 3.3Å; N287-I291 PolarHBondContact O-N 3.43Å; W289-I291 PolarHBondContact O-N 2.9Å; I291-R295 WeakPolarHBondContact O-CG 3.38Å; I291-R295 PolarHBondContact O-N 3.43Å |
| 292 | N | 86.6 | Confident | 82.6 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 179.3 | -162.1 | -86.2 | 0 | 0 | 0 | 112 | N288 W289 F290 R295 R296 | N288-N292 WeakPolarHBondContact O-CB 3.4Å; N288-N292 PolarHBondContact O-N 3.36Å; N288-N292 VanDerWaalsContact O-N 3.09Å; W289-N292 PolarHBondContact O-N 2.83Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.17Å; N292-R295 PolarHBondContact O-N 3.48Å; N292-R296 WeakPolarHBondContact O-CB 3.46Å; N292-R296 PolarHBondContact O-N 3.03Å; N292-R296 WeakPolarHBondContact OD1-CD 3.22Å |
| 293 | A | 86.3 | Confident | 81.4 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L258 W289 R295 R296 I297 | L258-A293 HydrophobicContact CD2-CB 3.78Å; W289-A293 HydrophobicContact CD2-CB 4.3Å; W289-A293 HydrophobicContact CE3-CB 3.92Å; W289-A293 HydrophobicContact CH2-CB 3.9Å; W289-A293 HydrophobicContact CZ2-CB 4.29Å; W289-A293 HydrophobicContact CZ3-CB 3.7Å; W289-A293 VanDerWaalsContact O-CB 3.25Å; W289-A293 WeakPolarHBondContact O-CB 3.36Å; W289-A293 PolarHBondContact O-N 2.56Å; A293-R295 PolarHBondContact O-N 2.97Å; A293-R296 PolarHBondContact O-N 3.44Å; A293-I297 HydrophobicContact CB-CD1 4.37Å; A293-I297 VanDerWaalsContact O-CB 3.32Å; A293-I297 WeakPolarHBondContact O-CB 3.01Å; A293-I297 PolarHBondContact O-N 3.18Å |
| 294 | R | 86.4 | Confident | 80.3 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -60 | -44.8 | 175.8 | -173.5 | 172.2 | 71.2 | -138.1 | 9.8 | 112.1 | P265 Y266 F290 V298 Q299 | P265-R294 HydrophobicContact CB-CG 4.37Å; P265-R294 HydrophobicContact CG-CG 3.86Å; P265-R294 PolarHBondContact O-NH1 2.92Å; Y266-R294 VanDerWaalsContact CD1-NH1 3.34Å; Y266-R294 PolarHBondContact OH-NH2 3.07Å; F290-R294 WeakPolarHBondContact O-CB 3.2Å; F290-R294 PolarHBondContact O-N 3.05Å; R294-V298 HydrophobicContact CG-CB 4.14Å; R294-V298 HydrophobicContact CG-CG2 4.36Å; R294-V298 WeakPolarHBondContact O-CB 3.41Å; R294-V298 PolarHBondContact O-N 2.84Å; R294-V298 VanDerWaalsContact O-N 3.09Å; R294-Q299 PolarHBondContact O-N 3.31Å |
| 295 | R | 82.1 | Confident | 78.9 | Confident | 174 Ų | 174 | 72.1 Ų | 72.1 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -66.9 | -33.3 | 177.9 | -71.3 | 178.9 | 179.5 | 174.8 | 0.5 | 113.3 | I291 N292 A293 | I291-R295 WeakPolarHBondContact O-CG 3.38Å; I291-R295 PolarHBondContact O-N 3.43Å; N292-R295 PolarHBondContact O-N 3.48Å; A293-R295 PolarHBondContact O-N 2.97Å |
| 296 | R | 81.4 | Confident | 77.5 | Confident | 189 Ų | 189 | 74.4 Ų | 74.4 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | I | π-helix | trans | -92.7 | -25.3 | -175.9 | -74.9 | -173 | 167.1 | 179.7 | -10.6 | 115.6 | N292 A293 | N292-R296 WeakPolarHBondContact O-CB 3.46Å; N292-R296 PolarHBondContact O-N 3.03Å; N292-R296 WeakPolarHBondContact OD1-CD 3.22Å; A293-R296 PolarHBondContact O-N 3.44Å |
| 297 | I | 77.9 | Confident | 75.8 | Confident | 54 Ų | 54 | 85 Ų | 85 | 28% | 0.277 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -112.8 | -52.2 | -174 | -55.6 | 174.5 | 0 | 0 | 0 | 109.7 | L258 A293 M301 | L258-I297 HydrophobicContact CD2-CD1 4.07Å; A293-I297 HydrophobicContact CB-CD1 4.37Å; A293-I297 VanDerWaalsContact O-CB 3.32Å; A293-I297 WeakPolarHBondContact O-CB 3.01Å; A293-I297 PolarHBondContact O-N 3.18Å; I297-M301 HydrophobicContact CG2-SD 4.38Å; I297-M301 WeakPolarHBondContact O-CG 3.47Å |
| 298 | V | 75.3 | Confident | 74.3 | Confident | 5 Ų | 5 | 87.3 Ų | 87.3 | 3% | 0.03 | 42% | 0.421 | C | S | . | . | I | π-helix | trans | -79.5 | -43.5 | -171.2 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | L258 L262 P265 R294 M301 I302 | L258-V298 HydrophobicContact CD1-CG2 4.22Å; L262-V298 HydrophobicContact CD2-CG2 4.23Å; P265-V298 HydrophobicContact CB-CG2 4.25Å; P265-V298 HydrophobicContact CG-CG1 4.19Å; P265-V298 HydrophobicContact CG-CG2 4.25Å; R294-V298 HydrophobicContact CG-CB 4.14Å; R294-V298 HydrophobicContact CG-CG2 4.36Å; R294-V298 WeakPolarHBondContact O-CB 3.41Å; R294-V298 PolarHBondContact O-N 2.84Å; R294-V298 VanDerWaalsContact O-N 3.09Å; V298-M301 WeakPolarHBondContact O-CB 3.19Å; V298-M301 PolarHBondContact O-N 2.85Å; V298-M301 VanDerWaalsContact O-N 3.13Å; V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.1Å; V298-I302 WeakPolarHBondContact O-CG1 3.36Å; V298-I302 PolarHBondContact O-N 3.31Å |
| 299 | Q | 67.6 | Low | 72.4 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 179.6 | -82.6 | -149 | -55.4 | 0 | 0 | 114 | R294 M301 I302 D303 | R294-Q299 PolarHBondContact O-N 3.31Å; Q299-M301 PolarHBondContact O-N 3.26Å; Q299-I302 PolarHBondContact O-N 3.29Å; Q299-I302 VanDerWaalsContact O-N 3.12Å; Q299-D303 PolarHBondContact O-N 2.77Å |
| 300 | P | 70.3 | Confident | 70.2 | Confident | 57 Ų | 57 | 93.8 Ų | 93.8 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -33.4 | 173.8 | -27.7 | 36.9 | 0 | 0 | 0 | 113.8 | Q304 | P300-Q304 VanDerWaalsContact O-CB 3.26Å; P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 WeakPolarHBondContact O-CG 3.48Å; P300-Q304 PolarHBondContact O-N 3.41Å |
| 301 | M | 65.1 | Low | 68 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -41.1 | 174.9 | -68.4 | 176.5 | 66.6 | 0 | 0 | 112.3 | L262 I297 V298 Q299 S305 | L262-M301 HydrophobicContact CD2-CE 4.48Å; L262-M301 HydrophobicContact CD2-SD 4.37Å; I297-M301 HydrophobicContact CG2-SD 4.38Å; I297-M301 WeakPolarHBondContact O-CG 3.47Å; V298-M301 WeakPolarHBondContact O-CB 3.19Å; V298-M301 PolarHBondContact O-N 2.85Å; V298-M301 VanDerWaalsContact O-N 3.13Å; Q299-M301 PolarHBondContact O-N 3.26Å; M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.42Å; M301-S305 PolarHBondContact O-OG 3.21Å |
| 302 | I | 67 | Low | 65.6 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 175.9 | -67.9 | 173.7 | 0 | 0 | 0 | 110.1 | V298 Q299 Q304 S305 N306 | V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.1Å; V298-I302 WeakPolarHBondContact O-CG1 3.36Å; V298-I302 PolarHBondContact O-N 3.31Å; Q299-I302 PolarHBondContact O-N 3.29Å; Q299-I302 VanDerWaalsContact O-N 3.12Å; I302-Q304 VanDerWaalsContact C-N 3.32Å; I302-Q304 PolarHBondContact O-N 3.36Å; I302-S305 PolarHBondContact O-N 3.31Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 2.96Å; I302-N306 WeakPolarHBondContact O-CB 3.38Å; I302-N306 PolarHBondContact O-N 2.69Å |
| 303 | D | 66.1 | Low | 64.1 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | -178.6 | -68 | -12.7 | 0 | 0 | 0 | 112 | Q299 R307 | Q299-D303 PolarHBondContact O-N 2.77Å; D303-R307 WeakPolarHBondContact O-CB 3.23Å; D303-R307 PolarHBondContact O-N 2.93Å |
| 304 | Q | 64.2 | Low | 61.8 | Low | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.1 | -44.5 | 170.2 | -77.2 | 174.5 | 3.5 | 0 | 0 | 111.7 | P300 I302 N306 R307 S308 | P300-Q304 VanDerWaalsContact O-CB 3.26Å; P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 WeakPolarHBondContact O-CG 3.48Å; P300-Q304 PolarHBondContact O-N 3.41Å; I302-Q304 VanDerWaalsContact C-N 3.32Å; I302-Q304 PolarHBondContact O-N 3.36Å; Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 3.49Å; Q304-R307 PolarHBondContact O-N 3.25Å; Q304-S308 PolarHBondContact O-N 3.35Å; Q304-S308 PolarHBondContact O-OG 3.17Å |
| 305 | S | 59.4 | Low | 59.6 | Low | 68 Ų | 68 | 110.3 Ų | 110.3 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -39.8 | 177.8 | 76.6 | 0 | 0 | 0 | 0 | 112 | M301 I302 S308 G309 | M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.42Å; M301-S305 PolarHBondContact O-OG 3.21Å; I302-S305 PolarHBondContact O-N 3.31Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 2.96Å; S305-S308 WeakPolarHBondContact CA-OG 3.42Å; S305-S308 PolarHBondContact O-N 2.78Å; S305-S308 PolarHBondContact O-OG 2.92Å; S305-G309 PolarHBondContact O-N 2.92Å |
| 306 | N | 57.9 | Low | 58.4 | Low | 123 Ų | 123 | 108.2 Ų | 108.2 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -35.3 | -179.9 | -138.2 | 27.4 | 0 | 0 | 0 | 111.6 | I302 Q304 G309 | I302-N306 WeakPolarHBondContact O-CB 3.38Å; I302-N306 PolarHBondContact O-N 2.69Å; Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 3.49Å; N306-G309 PolarHBondContact O-N 3.41Å |
| 307 | R | 54.6 | Low | 56.4 | Low | 222 Ų | 222 | 108.5 Ų | 108.5 | 84% | 0.838 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.6 | -37.4 | 169.9 | -94.4 | -177.7 | 167.5 | -108.4 | 0.4 | 113 | D303 Q304 G309 | D303-R307 WeakPolarHBondContact O-CB 3.23Å; D303-R307 PolarHBondContact O-N 2.93Å; Q304-R307 PolarHBondContact O-N 3.25Å; R307-G309 VanDerWaalsContact C-N 3.32Å |
| 308 | S | 55.3 | Low | 54.6 | Low | 90 Ų | 90 | 109.5 Ų | 109.5 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.8 | -20.4 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | Q304 S305 | Q304-S308 PolarHBondContact O-N 3.35Å; Q304-S308 PolarHBondContact O-OG 3.17Å; S305-S308 WeakPolarHBondContact CA-OG 3.42Å; S305-S308 PolarHBondContact O-N 2.78Å; S305-S308 PolarHBondContact O-OG 2.92Å |
| 309 | G | 49.4 | Very low | 53 | Low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.4 | -22.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S305 N306 R307 G311 | S305-G309 PolarHBondContact O-N 2.92Å; N306-G309 PolarHBondContact O-N 3.41Å; R307-G309 VanDerWaalsContact C-N 3.32Å; G309-G311 VanDerWaalsContact C-N 3.26Å; G309-G311 PolarHBondContact O-N 3.38Å |
| 310 | Q | 44.1 | Very low | 51.9 | Low | 182 Ų | 182 | 113.9 Ų | 113.9 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -92 | 49 | 173.1 | -75.1 | -116.8 | 6.7 | 0 | 0 | 111.6 | ||
| 311 | G | 44.4 | Very low | 50.6 | Low | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | trans | -121.4 | 46.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G309 | G309-G311 VanDerWaalsContact C-N 3.26Å; G309-G311 PolarHBondContact O-N 3.38Å | ||
| 312 | G | 36.6 | Very low | 49.2 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -77.6 | 141.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 313 | P | 54.9 | Low | 47.8 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -87.2 | 118.3 | -166.4 | 32.6 | -34.7 | 0 | 0 | 0 | 114.2 | ||||
| 314 | Y | 38.5 | Very low | 46.4 | Very low | 222 Ų | 222 | 125.5 Ų | 125.5 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | -151.2 | 97.7 | 156.2 | -149.6 | -102.9 | 0 | 0 | 0 | 108.5 | ||||
| 315 | S | 38.9 | Very low | 45.4 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | 72.7 | 118.3 | 95.4 | -156.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 316 | P | 56.8 | Low | 44.8 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -96.6 | 94.5 | -169.7 | 36.5 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 317 | E | 39.6 | Very low | 44.1 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 142.2 | 164.6 | -150.6 | -176.2 | 150.1 | 0 | 0 | 112.9 | ||||
| 318 | G | 39.7 | Very low | 43.2 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 90.5 | 60.7 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 319 | A | 42.3 | Very low | 42.4 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 49.2 | 156 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 320 | A | 44.4 | Very low | 41.9 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 121.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 321 | L | 43.6 | Very low | 41.6 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | 177.1 | 126.1 | 143.8 | -99.6 | 167.9 | 0 | 0 | 0 | 112 | ||||
| 322 | G | 35.2 | Very low | 41.5 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 78.5 | 115.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 323 | G | 37.5 | Very low | 41.4 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | 117.3 | 85.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 324 | Y | 37.3 | Very low | 40.6 | Very low | 234 Ų | 234 | 129.6 Ų | 129.6 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -150.4 | 143.3 | 145.5 | 63.1 | -88.6 | 0 | 0 | 0 | 108.4 | ||||
| 325 | G | 42.6 | Very low | 40.3 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 157.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 326 | L | 47 | Very low | 40.1 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 149.7 | 145.3 | -115.2 | 154.5 | 0 | 0 | 0 | 109.4 | ||||
| 327 | D | 42.6 | Very low | 38.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -109.5 | 166 | -155 | 37.2 | -82.4 | 0 | 0 | 0 | 113.6 | ||||
| 328 | G | 36.3 | Very low | 38.5 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 167.8 | 82.5 | 173 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 329 | Q | 39.2 | Very low | 38.5 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 53.6 | 132.5 | 138.9 | -119.8 | 50.9 | 11.6 | 0 | 0 | 121 | ||||
| 330 | A | 38.8 | Very low | 38.7 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | cis | -165.8 | 136.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 331 | H | 37.1 | Very low | 38.2 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 39.6 | 116.9 | 124.6 | -164.3 | -110.7 | 0 | 0 | 0 | 122.7 | |||||
| 332 | L | 43.3 | Very low | 37.9 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | -171.5 | 143.2 | 112.3 | -100.5 | 168.2 | 0 | 0 | 0 | 112 | |||||
| 333 | G | 34.6 | Very low | 37.7 | Very low | 58 Ų | 58 | 131.2 Ų | 131.2 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | trans | -86.5 | -167.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 334 | L | 37.6 | Very low | 37.6 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | cis | -172.8 | 154.1 | 46 | -130 | 75.8 | 0 | 0 | 0 | 111.9 | ||||
| 335 | R | 31.6 | Very low | 37.5 | Very low | 210 Ų | 210 | 128 Ų | 128 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | 76.4 | 113.6 | 147.4 | -55.2 | -85.8 | 106.8 | 149.2 | -2.3 | 122.9 | ||||
| 336 | T | 35.1 | Very low | 36.8 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | 1.3 | 142.3 | 133.4 | -177.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 337 | T | 32.1 | Very low | 36.1 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -160.7 | 121.4 | 135.3 | 21 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 338 | G | 30 | Very low | 35.4 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | 57.9 | 114.3 | 128.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 339 | L | 39.7 | Very low | 35.5 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -75.1 | 161.4 | 143.7 | -75.8 | 167.3 | 0 | 0 | 0 | 110.5 | ||||
| 340 | P | 46.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -139.3 | 160.7 | 101.8 | 36.7 | -23.9 | 0 | 0 | 0 | 113.7 | |||||
| 341 | G | 34.5 | Very low | 36 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -125.6 | -168.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 342 | M | 37.5 | Very low | 35.8 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -168 | 159.9 | 157.1 | 55.7 | 179.1 | 66.4 | 0 | 0 | 114.3 | ||||
| 343 | S | 31.2 | Very low | 35.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 91.4 | 108.4 | 154.2 | -56.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 344 | S | 34.9 | Very low | 35.3 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -94 | 157.7 | 168.6 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 345 | L | 35.5 | Very low | 35 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | 174.9 | 147.3 | 112.5 | -91.8 | 173.4 | 0 | 0 | 0 | 114.2 | |||||
| 346 | Q | 28.6 | Very low | 35.4 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 52.9 | 125.4 | 153.7 | -83.1 | 146.8 | -46.6 | 0 | 0 | 120.7 | ||||
| 347 | G | 32.2 | Very low | 36.2 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -121.5 | 178.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 348 | E | 26.9 | Very low | 36.2 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -148.6 | 131.2 | 168.3 | -106 | 169.2 | 103.8 | 0 | 0 | 109.4 | ||||
| 349 | Y | 39.1 | Very low | 37.3 | Very low | 220 Ų | 220 | 134 Ų | 134 | 86% | 0.863 | 81% | 0.805 | S | S | * | * | trans | -89 | 159.4 | 155.5 | -72.8 | -88.4 | 0 | 0 | 0 | 107.5 | ||||
| 350 | P | 50.6 | Low | 36.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -140.2 | 154.7 | 96.3 | 31.9 | -16.4 | 0 | 0 | 0 | 114.3 | |||||
| 351 | A | 37.4 | Very low | 36.2 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -96.3 | 149.8 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 352 | A | 31.9 | Very low | 36.2 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 167.6 | 132.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | L | 31.8 | Very low | 35.9 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | 166.8 | 105.8 | 109.3 | -88.1 | 172.2 | 0 | 0 | 0 | 113.1 | |||||
| 354 | L | 36.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 17.7 | 121.8 | 132.7 | -158.1 | 79.6 | 0 | 0 | 0 | 120.1 | ||||
| 355 | S | 30.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | 179.4 | 137.6 | 125.4 | -83.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 356 | Q | 40.5 | Very low | 36.2 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -132.8 | 144.2 | 150.7 | -101.4 | -154.6 | 81.9 | 0 | 0 | 105.9 | ||||
| 357 | P | 50.9 | Low | 37.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | -147.8 | -177.9 | 82.5 | 34.2 | -12.6 | 0 | 0 | 0 | 115.4 | |||||
| 358 | G | 33.6 | Very low | 37.7 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -80.3 | -145.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 359 | P | 51.3 | Low | 39.5 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | cis | -138.7 | 173 | -1.2 | 42.7 | -25.8 | 0 | 0 | 0 | 116.5 | ||||
| 360 | G | 30.8 | Very low | 39.6 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 74.7 | 128.5 | 143 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 361 | T | 34.4 | Very low | 39.8 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 98% | 0.975 | 78% | 0.776 | S | S | * | * | 174.5 | 169.4 | 114.6 | 32.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 362 | S | 32.7 | Very low | 40 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -129.9 | 155.8 | -163.9 | 175.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 363 | L | 31.8 | Very low | 40.9 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 142.2 | 108.2 | 140.3 | -95.2 | 92.1 | 0 | 0 | 0 | 115 | ||||
| 364 | H | 36.6 | Very low | 41.1 | Very low | 180 Ų | 180 | 128 Ų | 128 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | 174.6 | 109.8 | 129.2 | -108.4 | 54.3 | 0 | 0 | 0 | 107.1 | |||||
| 365 | S | 29.6 | Very low | 41.2 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 75.6 | 106.9 | 53.9 | -143.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 366 | Y | 41.3 | Very low | 41.6 | Very low | 222 Ų | 222 | 129.7 Ų | 129.7 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | -60.7 | 163.7 | 174.7 | -89.5 | -89.8 | 0 | 0 | 0 | 113.3 | ||||
| 367 | P | 51.6 | Low | 41.5 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | -146.7 | 160.5 | 83.8 | 37 | -17.5 | 0 | 0 | 0 | 117.2 | |||||
| 368 | G | 40.5 | Very low | 40.9 | Very low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -82.4 | -128 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 369 | P | 65 | Low | 41.6 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -123.4 | -157.1 | -28.3 | 40 | -24.1 | 0 | 0 | 0 | 110 | ||||
| 370 | H | 41.5 | Very low | 41.7 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | 161 | 158.1 | 133.5 | -83.9 | -53.6 | 0 | 0 | 0 | 114.5 | ||||
| 371 | P | 55.2 | Low | 42.5 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | trans | -141.4 | 177.6 | -134.3 | 46.3 | -29.6 | 0 | 0 | 0 | 118.1 | ||||
| 372 | H | 40.6 | Very low | 42.5 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 59 | 166 | 141.8 | -85.5 | -50.1 | 0 | 0 | 0 | 119.9 | ||||
| 373 | P | 51.9 | Low | 42.9 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | cis | -135.7 | 176 | 26.3 | 41.6 | -22.3 | 0 | 0 | 0 | 118.3 | ||||
| 374 | A | 36.5 | Very low | 43.1 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | -101.5 | 158.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 375 | M | 37.2 | Very low | 43.5 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -167.4 | 137 | 168.8 | -88.5 | -53.7 | 97.1 | 0 | 0 | 105.6 | ||||
| 376 | L | 39.5 | Very low | 44.3 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -149.5 | 156.6 | 11.4 | -92 | 148.3 | 0 | 0 | 0 | 110.5 | ||||
| 377 | L | 39.2 | Very low | 44.1 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -74.2 | 151.3 | 159.4 | -86.9 | 71.9 | 0 | 0 | 0 | 110.6 | ||||
| 378 | H | 38.4 | Very low | 43.5 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | trans | -158.5 | 148.5 | 136.1 | -96.8 | 91.3 | 0 | 0 | 0 | 110.8 | ||||
| 379 | P | 47.1 | Very low | 43.6 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -94.8 | -179.7 | -175.2 | 40.6 | -37.6 | 0 | 0 | 0 | 113.6 | ||||
| 380 | P | 53.3 | Low | 42.5 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -101.3 | 174 | -153.1 | 40.5 | -38 | 0 | 0 | 0 | 115.8 | ||||
| 381 | P | 48.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -105.4 | 120 | 158.9 | 34.6 | -24.5 | 0 | 0 | 0 | 113.3 | ||||
| 382 | H | 35.7 | Very low | 41.9 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | 25 | 131.1 | 150.2 | -72 | -89.2 | 0 | 0 | 0 | 123.4 | ||||
| 383 | A | 40.1 | Very low | 42 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -62.8 | 158.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 384 | H | 35.3 | Very low | 41.4 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -168.8 | 160 | 138.2 | -99.1 | -59.3 | 0 | 0 | 0 | 109.1 | ||||
| 385 | P | 45.4 | Very low | 41.4 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -100.5 | 179.3 | -95.8 | 38.8 | -30 | 0 | 0 | 0 | 114.7 | |||||
| 386 | A | 46.9 | Very low | 42 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 139.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 387 | E | 37.8 | Very low | 42.1 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -115.6 | 147.4 | 151.5 | -75.9 | -158.2 | 104.8 | 0 | 0 | 109.7 | L389 | E387-L389 PolarHBondContact O-N 3.03Š| ||
| 388 | P | 38.6 | Very low | 42.2 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -80 | 110.9 | -173.4 | 30.9 | -33.8 | 0 | 0 | 0 | 112.4 | I390 | P388-I390 HydrophobicContact CB-CD1 4.24Å; P388-I390 HydrophobicContact CB-CG1 4.16Å; P388-I390 PolarHBondContact O-N 3.3Å | ||
| 389 | L | 41.5 | Very low | 42 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 64.3 | 168 | -79.4 | 171.1 | 0 | 0 | 0 | 112 | E387 | E387-L389 PolarHBondContact O-N 3.03Š| ||
| 390 | I | 42.8 | Very low | 41.8 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -112.3 | 47.4 | 173.4 | -45.4 | 176.7 | 0 | 0 | 0 | 109.2 | P388 | P388-I390 HydrophobicContact CB-CD1 4.24Å; P388-I390 HydrophobicContact CB-CG1 4.16Å; P388-I390 PolarHBondContact O-N 3.3Å | ||
| 391 | A | 42.1 | Very low | 41.2 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -142.5 | 11.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 392 | Q | 42 | Very low | 40.8 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -130.5 | 8.8 | 179.7 | -70.7 | -171.3 | -32.4 | 0 | 0 | 114.5 | ||
| 393 | G | 43.5 | Very low | 41.1 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -92 | 117.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 394 | L | 39.5 | Very low | 41.2 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 62% | 0.618 | 80% | 0.795 | S | S | * | * | trans | 84.2 | 56.8 | 172.2 | -52.3 | 156.7 | 0 | 0 | 0 | 115.7 | I396 | L394-I396 HydrophobicContact CB-CD1 4.29Å; L394-I396 HydrophobicContact CB-CG1 4.18Å; L394-I396 HydrophobicContact CD2-CD1 4.42Å | ||
| 395 | D | 35.2 | Very low | 41.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -69.7 | 121.1 | 144.9 | -157.3 | -66 | 0 | 0 | 0 | 107.9 | ||||
| 396 | I | 49.2 | Very low | 41.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 61% | 0.605 | 79% | 0.791 | S | S | * | * | trans | -122.8 | 75.1 | -176 | -52.6 | 177.6 | 0 | 0 | 0 | 108 | L394 | L394-I396 HydrophobicContact CB-CD1 4.29Å; L394-I396 HydrophobicContact CB-CG1 4.18Å; L394-I396 HydrophobicContact CD2-CD1 4.42Å | ||
| 397 | H | 42.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -147.5 | 120.7 | 161.2 | -118.4 | -90.1 | 0 | 0 | 0 | 111.8 | ||||
| 398 | A | 41.9 | Very low | 41.1 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 33.1 | 108.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 399 | H | 34.3 | Very low | 41.3 | Very low | 260 Ų | 260 | 142.3 Ų | 142.3 | 100% | 1.204 | 79% | 0.791 | S | S | * | * | -159.6 | 0 | 107.2 | -124.7 | -63.5 | 0 | 0 | 0 | 114.7 |
Retrieved 399 of 399 residues in 597.4 ms
(Link to these results)