| 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 | 44.1 | Very low | 39.1 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 100% | 1.207 | 79% | 0.79 | S | S | * | * | 0 | 112.2 | 0 | -173.1 | 162 | 77.8 | 0 | 0 | 106.4 | |||||
| 2 | E | 38.6 | Very low | 39 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | trans | -120.7 | 171.9 | 176.6 | -112.3 | -144.6 | 101.9 | 0 | 0 | 107.5 | T5 | E2-T5 PolarHBondContact OE1-OG1 2.82Š| ||
| 3 | P | 44.7 | Very low | 39.3 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -126.9 | 167.3 | 8.7 | 40.2 | -26.4 | 0 | 0 | 0 | 115.4 | ||||
| 4 | S | 30.2 | Very low | 39.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -156.3 | 76.9 | 139.9 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | T | 36.3 | Very low | 39.1 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -130.1 | 163.5 | 170.5 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | E2 | E2-T5 PolarHBondContact OE1-OG1 2.82Š| ||
| 6 | P | 50.2 | Low | 38.7 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -123.7 | -171.3 | -23.2 | 39.3 | -24.4 | 0 | 0 | 0 | 111.5 | ||||
| 7 | D | 30.1 | Very low | 38.7 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | -158.4 | 141.7 | 126 | -117.7 | -16.5 | 0 | 0 | 0 | 111.4 | |||||
| 8 | T | 37.2 | Very low | 38.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -157.3 | -176.8 | -173.9 | 65.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | P | 50.7 | Low | 38.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -118.9 | -173.9 | -40.6 | 36.2 | -22.3 | 0 | 0 | 0 | 110.8 | ||||
| 10 | K | 30.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -177.1 | 159.6 | 128.4 | -101.4 | 159 | -172.4 | 177.4 | 0 | 114 | |||||
| 11 | E | 37.7 | Very low | 38.5 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -93.1 | 167.4 | -173.2 | -63.4 | 144.6 | 103.6 | 0 | 0 | 113.7 | ||||
| 12 | S | 37.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 24.7 | 133.1 | 140.9 | -53.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 13 | P | 42.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | -143.2 | 167.7 | 78.5 | 39.9 | -25.3 | 0 | 0 | 0 | 117.4 | |||||
| 14 | I | 43.1 | Very low | 37.8 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -61 | 130.1 | 177.3 | -60.8 | 147.4 | 0 | 0 | 0 | 112.5 | ||||
| 15 | V | 32.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -140.4 | 121.2 | 142.9 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 16 | Q | 32.9 | Very low | 37.8 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -84 | 113.2 | 168.2 | 179.5 | 172.2 | -9.1 | 0 | 0 | 108 | V18 | Q16-V18 PolarHBondContact O-N 3.08Š| ||
| 17 | L | 37.8 | Very low | 37.2 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -69.7 | 129.2 | 167.5 | -76.4 | 89.3 | 0 | 0 | 0 | 108.7 | ||||
| 18 | V | 38.5 | Very low | 37.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 113.7 | 153.6 | 175.9 | 0 | 0 | 0 | 0 | 105.5 | Q16 | Q16-V18 PolarHBondContact O-N 3.08Š| ||
| 19 | Q | 35.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -90.9 | 108.7 | 176.8 | -169.2 | 153.1 | -3.9 | 0 | 0 | 108.2 | E21 | Q19-E21 HydrophobicContact CG-CB 4.46Å; Q19-E21 HydrophobicContact CG-CG 4Å; Q19-E21 PolarHBondContact NE2-OE1 3.45Å; Q19-E21 PolarHBondContact NE2-OE2 3Å; Q19-E21 VanDerWaalsContact NE2-OE2 3.12Å; Q19-E21 PolarHBondContact O-N 3.34Å | ||
| 20 | E | 43 | Very low | 36.6 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -78.9 | 87.3 | 170.6 | -68.2 | -177.9 | 137.6 | 0 | 0 | 109.1 | ||||
| 21 | E | 33.6 | Very low | 36.6 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -142.2 | 146.5 | 169.7 | -73.1 | 173.2 | -172.9 | 0 | 0 | 108.1 | Q19 | Q19-E21 HydrophobicContact CG-CB 4.46Å; Q19-E21 HydrophobicContact CG-CG 4Å; Q19-E21 PolarHBondContact NE2-OE1 3.45Å; Q19-E21 PolarHBondContact NE2-OE2 3Å; Q19-E21 VanDerWaalsContact NE2-OE2 3.12Å; Q19-E21 PolarHBondContact O-N 3.34Å | ||
| 22 | E | 36.4 | Very low | 36.4 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | cis | -160.2 | 149.3 | -28.8 | -174.1 | 165 | -162.6 | 0 | 0 | 104.5 | E24 | E22-E24 PolarHBondContact O-N 3.41Š| ||
| 23 | E | 42.8 | Very low | 36.2 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 98.9 | -178.4 | -174.5 | -177.3 | 178.7 | 0 | 0 | 110.8 | ||||
| 24 | E | 33.8 | Very low | 35.6 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 152.2 | 171.9 | -156.3 | 170.1 | -143.2 | 0 | 0 | 115.3 | E22 | E22-E24 PolarHBondContact O-N 3.41Š| ||
| 25 | A | 35.8 | Very low | 35.2 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 151.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 26 | S | 30.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 139.8 | 172 | -39.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 27 | P | 38 | Very low | 35.2 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 136.1 | 166.4 | 31.7 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 28 | S | 32.9 | Very low | 35.5 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.2 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 29 | T | 34.6 | Very low | 35.3 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -123.9 | 128.1 | 165.5 | -62.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 30 | V | 36.9 | Very low | 35.2 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -95.5 | 134.4 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | T | 31.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -126.7 | 138.8 | 165 | -52.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | L | 32.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -95 | 157.9 | -172.6 | -125.8 | 162.3 | 0 | 0 | 0 | 111.4 | ||||
| 33 | L | 33.9 | Very low | 35 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -60.7 | 139.1 | -174.7 | -78 | 79.8 | 0 | 0 | 0 | 113.8 | ||||
| 34 | G | 29.4 | Very low | 35.1 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -105.8 | 153.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 35 | S | 35.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | trans | -103.3 | 142.7 | -168.4 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 36 | G | 31.4 | Very low | 35.4 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 113.8 | 127.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | E | 34.9 | Very low | 36.1 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | cis | -132.3 | 177.5 | -0.7 | -67.5 | -173.2 | 116.3 | 0 | 0 | 111.5 | ||||
| 38 | Q | 42.2 | Very low | 36.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -105.4 | 100.5 | -157 | 178.2 | 178.1 | -7.7 | 0 | 0 | 112.7 | D40 | Q38-D40 VanDerWaalsContact NE2-CG 3.3Å; Q38-D40 PolarHBondContact NE2-OD1 3.36Å; Q38-D40 PolarHBondContact NE2-OD2 3.28Å; Q38-D40 PolarHBondContact O-N 3.2Å | ||
| 39 | E | 34.5 | Very low | 36.6 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 95% | 0.949 | 74% | 0.737 | S | S | * | * | trans | -89.9 | 92.6 | 162.6 | -70.8 | -161.7 | 142.8 | 0 | 0 | 109.8 | ||||
| 40 | D | 34.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 57% | 0.572 | 72% | 0.722 | S | S | * | * | trans | -73.7 | 136 | 179.8 | -92.1 | -19.5 | 0 | 0 | 0 | 113.3 | Q38 S42 | Q38-D40 VanDerWaalsContact NE2-CG 3.3Å; Q38-D40 PolarHBondContact NE2-OD1 3.36Å; Q38-D40 PolarHBondContact NE2-OD2 3.28Å; Q38-D40 PolarHBondContact O-N 3.2Å; D40-S42 WeakPolarHBondContact O-CB 3.2Å; D40-S42 PolarHBondContact O-N 3.02Å; D40-S42 PolarHBondContact O-OG 3.17Å | ||
| 41 | E | 46.2 | Very low | 37.4 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | trans | -53.3 | 99.7 | 167.1 | -174.7 | -174.7 | 160.1 | 0 | 0 | 111.4 | ||||
| 42 | S | 29.5 | Very low | 38.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -121 | 51.5 | -165.1 | 40.2 | 0 | 0 | 0 | 0 | 115.4 | D40 | D40-S42 WeakPolarHBondContact O-CB 3.2Å; D40-S42 PolarHBondContact O-N 3.02Å; D40-S42 PolarHBondContact O-OG 3.17Å | ||
| 43 | S | 33.3 | Very low | 38.5 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | 65.5 | 139.3 | 152 | -62.8 | 0 | 0 | 0 | 0 | 120.2 | W45 | S43-W45 PolarHBondContact O-N 3.28Š| ||
| 44 | P | 45.7 | Very low | 38.8 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 43.2 | 179.9 | 36.4 | -38.8 | 0 | 0 | 0 | 113.8 | ||
| 45 | W | 38.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 126 Ų | 126 | 58% | 0.576 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -40.1 | -174 | 77.1 | -80.5 | 0 | 0 | 0 | 113.2 | S43 E47 S48 E49 | S43-W45 PolarHBondContact O-N 3.28Å; W45-E47 VanDerWaalsContact C-N 3.3Å; W45-E47 PolarHBondContact O-N 2.96Å; W45-S48 PolarHBondContact O-N 3.4Å; W45-S48 VanDerWaalsContact O-N 3.13Å; W45-S48 PolarHBondContact O-OG 3.24Å; W45-E49 PolarHBondContact O-N 3.49Å |
| 46 | F | 37.5 | Very low | 39.4 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62 | -33.5 | -174.1 | -168.3 | -101.9 | 0 | 0 | 0 | 113.8 | S48 T50 | F46-S48 VanDerWaalsContact C-N 3.33Å; F46-S48 PolarHBondContact O-N 2.97Å; F46-T50 PolarHBondContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 3.18Å |
| 47 | E | 43.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.4 | -30.8 | 179.4 | -145.4 | 170.8 | -158.1 | 0 | 0 | 111.9 | W45 Q51 | W45-E47 VanDerWaalsContact C-N 3.3Å; W45-E47 PolarHBondContact O-N 2.96Å; E47-Q51 PolarHBondContact O-N 3Å |
| 48 | S | 41.1 | Very low | 40.1 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.8 | -41.4 | 179 | 75 | 0 | 0 | 0 | 0 | 112.9 | W45 F46 Q51 I52 | W45-S48 PolarHBondContact O-N 3.4Å; W45-S48 VanDerWaalsContact O-N 3.13Å; W45-S48 PolarHBondContact O-OG 3.24Å; F46-S48 VanDerWaalsContact C-N 3.33Å; F46-S48 PolarHBondContact O-N 2.97Å; S48-Q51 PolarHBondContact O-N 3.22Å; S48-I52 WeakPolarHBondContact O-CG1 3.38Å; S48-I52 PolarHBondContact O-N 2.9Å |
| 49 | E | 41.6 | Very low | 40.4 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 43% | 0.43 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.4 | -38.1 | -179.7 | -169.1 | 166.4 | -137.3 | 0 | 0 | 111.2 | W45 Q51 I52 F53 | W45-E49 PolarHBondContact O-N 3.49Å; E49-Q51 VanDerWaalsContact C-N 3.25Å; E49-Q51 PolarHBondContact O-N 3.18Å; E49-I52 PolarHBondContact O-N 2.92Å; E49-F53 HydrophobicContact CG-CD2 4.09Å; E49-F53 HydrophobicContact CG-CE2 3.93Å; E49-F53 WeakPolarHBondContact O-CD2 3.41Å; E49-F53 PolarHBondContact O-N 3.17Å |
| 50 | T | 46.6 | Very low | 40.6 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 47% | 0.466 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -60.5 | -34.2 | 175 | -54.4 | 0 | 0 | 0 | 0 | 112 | F46 C54 | F46-T50 PolarHBondContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 3.18Å; T50-C54 PolarHBondContact O-SG 3.05Å |
| 51 | Q | 41.3 | Very low | 40.7 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.1 | -30.5 | 179.5 | -167.5 | 166.4 | 81.9 | 0 | 0 | 113.1 | E47 S48 E49 | E47-Q51 PolarHBondContact O-N 3Å; S48-Q51 PolarHBondContact O-N 3.22Å; E49-Q51 VanDerWaalsContact C-N 3.25Å; E49-Q51 PolarHBondContact O-N 3.18Å |
| 52 | I | 48.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.7 | -53.6 | 177 | -68.4 | 167.3 | 0 | 0 | 0 | 110.3 | S48 E49 C54 S55 | S48-I52 WeakPolarHBondContact O-CG1 3.38Å; S48-I52 PolarHBondContact O-N 2.9Å; E49-I52 PolarHBondContact O-N 2.92Å; I52-C54 VanDerWaalsContact C-N 3.28Å; I52-C54 PolarHBondContact O-N 2.83Å; I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 PolarHBondContact O-OG 3.13Å |
| 53 | F | 39.5 | Very low | 41.2 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -22.1 | -176.6 | -78.4 | -73.3 | 0 | 0 | 0 | 114.9 | E49 | E49-F53 HydrophobicContact CG-CD2 4.09Å; E49-F53 HydrophobicContact CG-CE2 3.93Å; E49-F53 WeakPolarHBondContact O-CD2 3.41Å; E49-F53 PolarHBondContact O-N 3.17Å |
| 54 | C | 40 | Very low | 41.8 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.8 | -12.3 | 178.1 | -71.7 | 0 | 0 | 0 | 0 | 114.5 | T50 I52 | T50-C54 PolarHBondContact O-SG 3.05Å; I52-C54 VanDerWaalsContact C-N 3.28Å; I52-C54 PolarHBondContact O-N 2.83Å |
| 55 | S | 37 | Very low | 42.2 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -76.8 | -34.4 | -171.6 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | I52 | I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 PolarHBondContact O-OG 3.13Å |
| 56 | E | 41.2 | Very low | 43 | Very low | 178 Ų | 178 | 117.3 Ų | 117.3 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -79.7 | -12.9 | 177.5 | -67.1 | -159.8 | 131.6 | 0 | 0 | 113.9 | T58 | E56-T58 VanDerWaalsContact C-N 3.3Å; E56-T58 PolarHBondContact O-N 3.38Å |
| 57 | L | 40.8 | Very low | 44.1 | Very low | 98 Ų | 98 | 114 Ų | 114 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -88.9 | 21.7 | -168.8 | -138.1 | 77.7 | 0 | 0 | 0 | 115.4 | T59 I60 | L57-T59 PolarHBondContact O-N 2.89Å; L57-I60 HydrophobicContact CD1-CD1 4.49Å; L57-I60 HydrophobicContact CD2-CB 4.25Å; L57-I60 HydrophobicContact CG-CB 4.15Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-I60 VanDerWaalsContact O-N 3.08Å | ||
| 58 | T | 39.8 | Very low | 45.3 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 80% | 0.798 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 15 | -178.3 | 41.8 | 0 | 0 | 0 | 0 | 115.6 | E56 | E56-T58 VanDerWaalsContact C-N 3.3Å; E56-T58 PolarHBondContact O-N 3.38Å |
| 59 | T | 48.6 | Very low | 46.7 | Very low | 132 Ų | 132 | 114.3 Ų | 114.3 | 81% | 0.81 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 5.2 | 172 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | L57 | L57-T59 PolarHBondContact O-N 2.89Š|
| 60 | I | 38.7 | Very low | 48.4 | Very low | 89 Ų | 89 | 113.3 Ų | 113.3 | 46% | 0.456 | 62% | 0.624 | S | S | . | * | trans | -129.7 | 105.1 | 175.1 | -52.1 | -179.6 | 0 | 0 | 0 | 109.9 | L57 | L57-I60 HydrophobicContact CD1-CD1 4.49Å; L57-I60 HydrophobicContact CD2-CB 4.25Å; L57-I60 HydrophobicContact CG-CB 4.15Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-I60 VanDerWaalsContact O-N 3.08Å | ||
| 61 | C | 35.5 | Very low | 49.8 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | trans | -64.1 | 156.7 | 174 | -60.9 | 0 | 0 | 0 | 0 | 112 | I63 | C61-I63 PolarHBondContact O-N 3.18Š| ||
| 62 | C | 44.5 | Very low | 51.5 | Low | 140 Ų | 140 | 116.8 Ų | 116.8 | 95% | 0.946 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -71.2 | 56.4 | 178.9 | -59 | 0 | 0 | 0 | 0 | 114.4 | ||
| 63 | I | 42.2 | Very low | 53 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | trans | -132.5 | 105.9 | 157.1 | -56 | 177.7 | 0 | 0 | 0 | 105.7 | C61 S65 | C61-I63 PolarHBondContact O-N 3.18Å; I63-S65 PolarHBondContact O-N 2.84Å | ||
| 64 | S | 45.2 | Very low | 54.7 | Low | 124 Ų | 124 | 114.1 Ų | 114.1 | 87% | 0.867 | 62% | 0.615 | S | S | * | * | trans | -67.5 | 86.4 | 173 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | F66 | S64-F66 PolarHBondContact O-N 2.93Š| ||
| 65 | S | 55.4 | Low | 56.4 | Low | 38 Ų | 38 | 112.3 Ų | 112.3 | 27% | 0.266 | 60% | 0.604 | S | S | . | * | trans | -61.3 | 135.3 | -158.9 | 75 | 0 | 0 | 0 | 0 | 112.5 | I63 S67 E68 Y69 | I63-S65 PolarHBondContact O-N 2.84Å; S65-S67 VanDerWaalsContact CB-OG 3.29Å; S65-S67 WeakPolarHBondContact CB-OG 3.3Å; S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-OG 3.39Å; S65-E68 PolarHBondContact O-N 2.81Å; S65-E68 PolarHBondContact OG-N 3.19Å; S65-Y69 PolarHBondContact O-N 3.35Å | ||
| 66 | F | 55.5 | Low | 58.6 | Low | 156 Ų | 156 | 112.4 Ų | 112.4 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52.5 | -30.1 | 173.1 | 175.8 | -106.9 | 0 | 0 | 0 | 112 | S64 E68 Y69 I70 | S64-F66 PolarHBondContact O-N 2.93Å; F66-E68 PolarHBondContact O-N 3.47Å; F66-Y69 PolarHBondContact O-N 3.36Å; F66-I70 HydrophobicContact CD1-CG1 4.05Å; F66-I70 HydrophobicContact CD2-CG1 4.31Å; F66-I70 HydrophobicContact CE1-CD1 4.23Å; F66-I70 HydrophobicContact CE1-CG1 3.71Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 3.99Å; F66-I70 HydrophobicContact CG-CG1 4.35Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 3.68Å; F66-I70 WeakPolarHBondContact O-CB 3.45Å; F66-I70 VanDerWaalsContact O-CG1 3.28Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.06Å |
| 67 | S | 60.6 | Low | 60.4 | Low | 78 Ų | 78 | 112.8 Ų | 112.8 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.9 | -37.5 | 171.5 | 31.4 | 0 | 0 | 0 | 0 | 114.4 | S65 Y71 | S65-S67 VanDerWaalsContact CB-OG 3.29Å; S65-S67 WeakPolarHBondContact CB-OG 3.3Å; S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-OG 3.39Å; S67-Y71 WeakPolarHBondContact O-CB 3.37Å; S67-Y71 PolarHBondContact O-N 3.32Å |
| 68 | E | 69.1 | Low | 62.3 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 44% | 0.444 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70 | -42 | 175.5 | -75.6 | -154.3 | 171.5 | 0 | 0 | 112.3 | S65 F66 I70 Y71 K72 | S65-E68 PolarHBondContact O-N 2.81Å; S65-E68 PolarHBondContact OG-N 3.19Å; F66-E68 PolarHBondContact O-N 3.47Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-Y71 PolarHBondContact O-N 3.21Å; E68-K72 WeakPolarHBondContact O-CB 3.5Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 IonicContact OE2-NZ 3.75Å |
| 69 | Y | 70.3 | Confident | 64.2 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.8 | -47.3 | 175.9 | 177.2 | -99.4 | 0 | 0 | 0 | 110.7 | S65 F66 K72 W73 | S65-Y69 PolarHBondContact O-N 3.35Å; F66-Y69 PolarHBondContact O-N 3.36Å; Y69-K72 PolarHBondContact O-N 2.9Å; Y69-W73 AromaticContact CE1-CD1 3.66Å; Y69-W73 AromaticContact CE1-NE1 3.86Å; Y69-W73 AromaticContact CE2-CD1 3.61Å; Y69-W73 AromaticContact CE2-NE1 3.44Å; Y69-W73 AromaticContact CZ-CD1 3.41Å; Y69-W73 VanDerWaalsContact CZ-CD1 3.41Å; Y69-W73 AromaticContact CZ-NE1 3.18Å; Y69-W73 WeakPolarHBondContact O-CB 3.16Å; Y69-W73 PolarHBondContact O-N 2.85Å; Y69-W73 PolarHBondContact OH-NE1 3.32Å |
| 70 | I | 75.5 | Confident | 65.6 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 174.7 | -67.9 | -64.8 | 0 | 0 | 0 | 111.3 | F66 E68 W73 C74 | F66-I70 HydrophobicContact CD1-CG1 4.05Å; F66-I70 HydrophobicContact CD2-CG1 4.31Å; F66-I70 HydrophobicContact CE1-CD1 4.23Å; F66-I70 HydrophobicContact CE1-CG1 3.71Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 3.99Å; F66-I70 HydrophobicContact CG-CG1 4.35Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 3.68Å; F66-I70 WeakPolarHBondContact O-CB 3.45Å; F66-I70 VanDerWaalsContact O-CG1 3.28Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.06Å; E68-I70 VanDerWaalsContact C-N 3.34Å; I70-W73 PolarHBondContact O-N 3.48Å; I70-C74 VanDerWaalsContact O-CB 3.29Å; I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 3.31Å; I70-C74 PolarHBondContact O-SG 2.91Å; I70-C74 VanDerWaalsContact O-SG 3.39Å |
| 71 | Y | 77.7 | Confident | 67.3 | Low | 167 Ų | 167 | 110.2 Ų | 110.2 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -42 | 178.5 | -175.3 | -101.6 | 0 | 0 | 0 | 112.4 | S67 E68 S75 | S67-Y71 WeakPolarHBondContact O-CB 3.37Å; S67-Y71 PolarHBondContact O-N 3.32Å; E68-Y71 PolarHBondContact O-N 3.21Å; Y71-S75 VanDerWaalsContact O-CB 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 2.92Å; Y71-S75 PolarHBondContact O-OG 3.39Å |
| 72 | K | 77.3 | Confident | 69.2 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.8 | -44.8 | 173.3 | -74.3 | 172.4 | 179.1 | 161.3 | 0 | 111 | E68 Y69 S75 V76 | E68-K72 WeakPolarHBondContact O-CB 3.5Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 IonicContact OE2-NZ 3.75Å; Y69-K72 PolarHBondContact O-N 2.9Å; K72-S75 WeakPolarHBondContact O-CB 3.17Å; K72-S75 PolarHBondContact O-N 3.48Å; K72-V76 WeakPolarHBondContact O-CG2 3.37Å; K72-V76 PolarHBondContact O-N 3.39Å |
| 73 | W | 78 | Confident | 70.5 | Confident | 141 Ų | 141 | 112.1 Ų | 112.1 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 175.6 | -96.5 | 95.2 | 0 | 0 | 0 | 114.1 | Y69 I70 V76 R77 | Y69-W73 AromaticContact CE1-CD1 3.66Å; Y69-W73 AromaticContact CE1-NE1 3.86Å; Y69-W73 AromaticContact CE2-CD1 3.61Å; Y69-W73 AromaticContact CE2-NE1 3.44Å; Y69-W73 AromaticContact CZ-CD1 3.41Å; Y69-W73 VanDerWaalsContact CZ-CD1 3.41Å; Y69-W73 AromaticContact CZ-NE1 3.18Å; Y69-W73 WeakPolarHBondContact O-CB 3.16Å; Y69-W73 PolarHBondContact O-N 2.85Å; Y69-W73 PolarHBondContact OH-NE1 3.32Å; I70-W73 PolarHBondContact O-N 3.48Å; W73-V76 PolarHBondContact O-N 3.37Å; W73-R77 WeakPolarHBondContact O-CB 3.39Å; W73-R77 PolarHBondContact O-N 3.48Å |
| 74 | C | 75.4 | Confident | 71.8 | Confident | 67 Ų | 67 | 114.7 Ų | 114.7 | 45% | 0.453 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 172.7 | -78.6 | 0 | 0 | 0 | 0 | 110.7 | I70 R77 V78 | I70-C74 VanDerWaalsContact O-CB 3.29Å; I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 3.31Å; I70-C74 PolarHBondContact O-SG 2.91Å; I70-C74 VanDerWaalsContact O-SG 3.39Å; C74-R77 PolarHBondContact O-N 3.47Å; C74-V78 WeakPolarHBondContact O-CB 3.29Å; C74-V78 VanDerWaalsContact O-CG2 3.29Å; C74-V78 WeakPolarHBondContact O-CG2 3.44Å; C74-V78 PolarHBondContact O-N 3.3Å |
| 75 | S | 76.6 | Confident | 72.7 | Confident | 52 Ų | 52 | 111.7 Ų | 111.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.9 | -61.8 | 0 | 0 | 0 | 0 | 112 | Y71 K72 V78 A79 | Y71-S75 VanDerWaalsContact O-CB 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 2.92Å; Y71-S75 PolarHBondContact O-OG 3.39Å; K72-S75 WeakPolarHBondContact O-CB 3.17Å; K72-S75 PolarHBondContact O-N 3.48Å; S75-V78 PolarHBondContact O-N 3.33Å; S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 2.91Å |
| 76 | V | 83.4 | Confident | 73.1 | Confident | 80 Ų | 80 | 119.4 Ų | 119.4 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | K72 W73 V78 A79 L80 | K72-V76 WeakPolarHBondContact O-CG2 3.37Å; K72-V76 PolarHBondContact O-N 3.39Å; W73-V76 PolarHBondContact O-N 3.37Å; V76-V78 PolarHBondContact O-N 2.86Å; V76-A79 PolarHBondContact O-N 2.83Å; V76-L80 HydrophobicContact CG1-CD1 3.99Å; V76-L80 HydrophobicContact CG1-CG 4.47Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.3Å |
| 77 | R | 78.9 | Confident | 73.1 | Confident | 186 Ų | 186 | 115.6 Ų | 115.6 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 173.8 | -90.2 | -173.8 | 135.1 | -165.2 | -3.2 | 112.4 | W73 C74 L80 Y81 | W73-R77 WeakPolarHBondContact O-CB 3.39Å; W73-R77 PolarHBondContact O-N 3.48Å; C74-R77 PolarHBondContact O-N 3.47Å; R77-L80 PolarHBondContact O-N 2.86Å; R77-Y81 WeakPolarHBondContact O-CB 3.34Å; R77-Y81 PolarHBondContact O-N 3.46Å |
| 78 | V | 80.2 | Confident | 72.8 | Confident | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | C74 S75 V76 Y81 R82 | C74-V78 WeakPolarHBondContact O-CB 3.29Å; C74-V78 VanDerWaalsContact O-CG2 3.29Å; C74-V78 WeakPolarHBondContact O-CG2 3.44Å; C74-V78 PolarHBondContact O-N 3.3Å; S75-V78 PolarHBondContact O-N 3.33Å; V76-V78 PolarHBondContact O-N 2.86Å; V78-Y81 PolarHBondContact O-N 3.21Å; V78-R82 WeakPolarHBondContact O-CB 3.49Å; V78-R82 WeakPolarHBondContact O-CG 3.25Å; V78-R82 PolarHBondContact O-N 3.44Å |
| 79 | A | 78.8 | Confident | 71.9 | Confident | 54 Ų | 54 | 117.2 Ų | 117.2 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.6 | -50.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S75 V76 Y81 R82 Q83 | S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 2.91Å; V76-A79 PolarHBondContact O-N 2.83Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3.48Å; A79-R82 PolarHBondContact O-N 3.23Å; A79-Q83 WeakPolarHBondContact O-CB 3.32Å; A79-Q83 PolarHBondContact O-N 3.44Å |
| 80 | L | 78.3 | Confident | 71 | Confident | 81 Ų | 81 | 114 Ų | 114 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.3 | -36.6 | 175.6 | -72.8 | 169.9 | 0 | 0 | 0 | 112.4 | V76 R77 Q83 R84 | V76-L80 HydrophobicContact CG1-CD1 3.99Å; V76-L80 HydrophobicContact CG1-CG 4.47Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.3Å; R77-L80 PolarHBondContact O-N 2.86Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 3.47Å |
| 81 | Y | 75.5 | Confident | 69.7 | Low | 183 Ų | 183 | 119.2 Ų | 119.2 | 72% | 0.718 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.3 | -42.5 | 176 | -156.5 | -85.7 | 0 | 0 | 0 | 111.9 | R77 V78 A79 Q83 R84 S85 | R77-Y81 WeakPolarHBondContact O-CB 3.34Å; R77-Y81 PolarHBondContact O-N 3.46Å; V78-Y81 PolarHBondContact O-N 3.21Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3.48Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-R84 PolarHBondContact O-N 2.88Å; Y81-S85 WeakPolarHBondContact O-CB 3.36Å; Y81-S85 PolarHBondContact O-N 3.31Å; Y81-S85 PolarHBondContact O-OG 2.77Å |
| 82 | R | 75 | Confident | 68.1 | Low | 171 Ų | 171 | 114.4 Ų | 114.4 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -32.3 | 173.3 | -75.1 | 179.3 | 175.8 | -161.1 | -0.3 | 112.8 | V78 A79 S85 R86 | V78-R82 WeakPolarHBondContact O-CB 3.49Å; V78-R82 WeakPolarHBondContact O-CG 3.25Å; V78-R82 PolarHBondContact O-N 3.44Å; A79-R82 PolarHBondContact O-N 3.23Å; R82-S85 PolarHBondContact O-OG 3.25Å; R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 VanDerWaalsContact O-CG 3.3Å; R82-R86 WeakPolarHBondContact O-CG 3.26Å; R82-R86 PolarHBondContact O-N 2.88Å |
| 83 | Q | 72.6 | Confident | 66.5 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.4 | -51.1 | 174.7 | -169.4 | 173.9 | 6.5 | 0 | 0 | 110.2 | A79 L80 Y81 S85 R86 T87 | A79-Q83 WeakPolarHBondContact O-CB 3.32Å; A79-Q83 PolarHBondContact O-N 3.44Å; L80-Q83 PolarHBondContact O-N 2.85Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 2.89Å; Q83-R86 WeakPolarHBondContact O-CB 3.47Å; Q83-R86 PolarHBondContact O-N 2.9Å; Q83-R86 VanDerWaalsContact O-N 3.13Å; Q83-T87 PolarHBondContact O-N 2.9Å; Q83-T87 PolarHBondContact O-OG1 3.08Å; Q83-T87 VanDerWaalsContact O-OG1 3.06Å |
| 84 | R | 68.5 | Low | 64.7 | Low | 192 Ų | 192 | 116.2 Ų | 116.2 | 73% | 0.725 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.5 | -38.8 | 176.4 | -73.9 | 177.6 | 179.2 | -171.4 | -0.5 | 112.8 | L80 Y81 T87 A88 | L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 3.47Å; Y81-R84 PolarHBondContact O-N 2.88Å; R84-T87 PolarHBondContact O-N 3.48Å; R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 2.82Å |
| 85 | S | 63.7 | Low | 63 | Low | 61 Ų | 61 | 124 Ų | 124 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.6 | -33.3 | 176.2 | 68.7 | 0 | 0 | 0 | 0 | 113 | Y81 R82 Q83 L89 | Y81-S85 WeakPolarHBondContact O-CB 3.36Å; Y81-S85 PolarHBondContact O-N 3.31Å; Y81-S85 PolarHBondContact O-OG 2.77Å; R82-S85 PolarHBondContact O-OG 3.25Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 2.89Å; S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 2.9Å |
| 86 | R | 63.6 | Low | 61.4 | Low | 201 Ų | 201 | 129.5 Ų | 129.5 | 76% | 0.758 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -43.2 | 170.4 | -76.8 | 175.3 | 173.2 | -167.7 | -3.1 | 112.2 | R82 Q83 A88 L89 S90 | R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 VanDerWaalsContact O-CG 3.3Å; R82-R86 WeakPolarHBondContact O-CG 3.26Å; R82-R86 PolarHBondContact O-N 2.88Å; Q83-R86 WeakPolarHBondContact O-CB 3.47Å; Q83-R86 PolarHBondContact O-N 2.9Å; Q83-R86 VanDerWaalsContact O-N 3.13Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.46Å; R86-L89 PolarHBondContact O-N 2.87Å; R86-S90 PolarHBondContact O-N 2.9Å |
| 87 | T | 56.3 | Low | 59 | Low | 76 Ų | 76 | 131.9 Ų | 131.9 | 47% | 0.466 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.6 | -34.1 | 175.8 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | Q83 R84 S90 K91 | Q83-T87 PolarHBondContact O-N 2.9Å; Q83-T87 PolarHBondContact O-OG1 3.08Å; Q83-T87 VanDerWaalsContact O-OG1 3.06Å; R84-T87 PolarHBondContact O-N 3.48Å; T87-S90 PolarHBondContact O-OG 3.12Å; T87-K91 PolarHBondContact O-N 3.31Å |
| 88 | A | 53.8 | Low | 56.7 | Low | 69 Ų | 69 | 130.9 Ų | 130.9 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | R84 R86 | R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 2.82Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.46Å |
| 89 | L | 51.2 | Low | 54.2 | Low | 138 Ų | 138 | 132.1 Ų | 132.1 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.4 | -32.4 | 178.3 | -170.9 | 62.1 | 0 | 0 | 0 | 112.9 | S85 R86 G92 | S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 2.9Å; R86-L89 PolarHBondContact O-N 2.87Å; L89-G92 PolarHBondContact O-N 2.82Å |
| 90 | S | 51.6 | Low | 51.9 | Low | 70 Ų | 70 | 137.9 Ų | 137.9 | 49% | 0.49 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -70.7 | -41.9 | 175 | 71.4 | 0 | 0 | 0 | 0 | 112 | R86 T87 G92 K93 | R86-S90 PolarHBondContact O-N 2.9Å; T87-S90 PolarHBondContact O-OG 3.12Å; S90-G92 PolarHBondContact O-N 2.78Å; S90-K93 PolarHBondContact O-N 2.98Å |
| 91 | K | 46.8 | Very low | 50.4 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -5.9 | 174.3 | -82.6 | -164.1 | 170.3 | -170 | 0 | 114.8 | T87 | T87-K91 PolarHBondContact O-N 3.31Š|
| 92 | G | 45.3 | Very low | 48.5 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L89 S90 | L89-G92 PolarHBondContact O-N 2.82Å; S90-G92 PolarHBondContact O-N 2.78Å |
| 93 | K | 43.8 | Very low | 46.3 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -126.9 | -4.9 | -170.1 | -122.9 | 174.3 | -178.8 | -179 | 0 | 117.6 | S90 Y95 | S90-K93 PolarHBondContact O-N 2.98Å; K93-Y95 PolarHBondContact O-N 3.5Å |
| 94 | D | 40.1 | Very low | 44 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -101.3 | 57.6 | -176.5 | -59.1 | -40 | 0 | 0 | 0 | 112.9 | ||
| 95 | Y | 38.4 | Very low | 42 | Very low | 231 Ų | 231 | 135.2 Ų | 135.2 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -170.4 | 81 | 158.8 | -93.3 | -60.2 | 0 | 0 | 0 | 111.7 | K93 | K93-Y95 PolarHBondContact O-N 3.5Š| ||
| 96 | L | 42.7 | Very low | 41.2 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -177.9 | 80.1 | 143.1 | -101.9 | 170 | 0 | 0 | 0 | 112.7 | ||||
| 97 | V | 33.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 28.4 | 115.3 | 135.2 | -178.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 98 | L | 31.8 | Very low | 37.9 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | 76.4 | 99.4 | 141.8 | -157.3 | 76 | 0 | 0 | 0 | 121.3 | ||||
| 99 | A | 28.1 | Very low | 36.8 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -150.1 | 137.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 100 | Q | 29.6 | Very low | 35.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 161.2 | -178.7 | -134.2 | -147.4 | 27.4 | 0 | 0 | 108.6 | ||||
| 101 | P | 46 | Very low | 34.5 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | cis | -113.3 | -158.3 | -25.7 | 33.6 | -14.3 | 0 | 0 | 0 | 110 | ||||
| 102 | P | 36.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | -131.4 | 165.5 | 83.7 | 38.5 | -28.8 | 0 | 0 | 0 | 114.6 | |||||
| 103 | L | 29.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -80.8 | 150.2 | -179.3 | -72.5 | 154.9 | 0 | 0 | 0 | 112.6 | ||||
| 104 | L | 24.7 | Very low | 32.2 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | -168.6 | 146.7 | 115.6 | -100 | 167.9 | 0 | 0 | 0 | 112.2 | |||||
| 105 | L | 24.8 | Very low | 31.5 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -128.2 | 178.7 | 170.7 | -81.8 | 173 | 0 | 0 | 0 | 106.5 | ||||
| 106 | P | 46.7 | Very low | 31 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -130.5 | 174.5 | -9.1 | 31.4 | -11.3 | 0 | 0 | 0 | 114.7 | ||||
| 107 | A | 25.5 | Very low | 31 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -175.5 | 120.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 108 | E | 25.9 | Very low | 30.7 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | 75.3 | 121.3 | 63.6 | -162.9 | 176.6 | -164.9 | 0 | 0 | 111.5 | |||||
| 109 | S | 29.8 | Very low | 30.5 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | -168.1 | -174.6 | -7.6 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 110 | V | 28.7 | Very low | 30.4 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | 68.1 | 132.8 | 152.4 | 163.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 111 | D | 26.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | cis | -161.1 | 148.6 | -12.9 | -122.5 | 14.4 | 0 | 0 | 0 | 108.6 | ||||
| 112 | V | 28.4 | Very low | 29.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | 58.7 | 133.1 | 97.4 | 163.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 113 | S | 30.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | cis | -177.3 | -169.7 | -16.5 | -158.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 114 | V | 28.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 73.4 | 132.3 | 142 | 157.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 115 | L | 26 | Very low | 29.6 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 80% | 0.801 | 73% | 0.725 | S | S | * | * | cis | -156.1 | 169.4 | -4.2 | -116.5 | 175.5 | 0 | 0 | 0 | 113.6 | ||||
| 116 | Q | 28.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | trans | -139.1 | 138.5 | 169.5 | 171.6 | -169.6 | 3 | 0 | 0 | 109.4 | ||||
| 117 | P | 41.3 | Very low | 29.5 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -140.5 | 153.1 | 136.7 | 15.3 | 7.8 | 0 | 0 | 0 | 113.3 | ||||
| 118 | L | 27.7 | Very low | 29.7 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | cis | 86.8 | 128.8 | 33.4 | -171.2 | 75.2 | 0 | 0 | 0 | 113.4 | ||||
| 119 | S | 28.2 | Very low | 30.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | cis | -129.1 | -156.5 | -1.3 | -142.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 120 | G | 25.9 | Very low | 30.5 | Very low | 59 Ų | 59 | 132.6 Ų | 132.6 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | cis | -167.3 | 163.4 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | E | 29.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | 62.7 | 135.5 | 73 | -65.9 | -165.4 | 103.2 | 0 | 0 | 114 | |||||
| 122 | L | 30.7 | Very low | 30.8 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | cis | -158.7 | -173.2 | -0.7 | -144.1 | 62.5 | 0 | 0 | 0 | 107.5 | ||||
| 123 | E | 28.1 | Very low | 30.8 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | cis | -156.7 | -176.2 | 7.7 | -168.4 | 160.1 | 175.5 | 0 | 0 | 112.9 | ||||
| 124 | N | 29.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | trans | -52.2 | -174.4 | 172.2 | -48.7 | -54.1 | 0 | 0 | 0 | 116.8 | ||||
| 125 | T | 30.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | cis | -162.1 | 132.8 | 34.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 126 | N | 31 | Very low | 31 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | 86.8 | 137.9 | 95.7 | -72.9 | -44.4 | 0 | 0 | 0 | 122.6 | |||||
| 127 | I | 37.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | 98.2 | 127.8 | 135.2 | -80.8 | 164.4 | 0 | 0 | 0 | 125.1 | ||||
| 128 | E | 31.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | trans | 58.6 | 127.3 | 151.4 | -75.9 | -178.9 | 110.6 | 0 | 0 | 123.7 | ||||
| 129 | R | 38.3 | Very low | 30.2 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 81.1 | 157.9 | 78.1 | -82.8 | -161.5 | -160 | 130.8 | 17.5 | 116 | |||||
| 130 | E | 33.4 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | cis | 178.5 | 140.6 | -24.1 | -179.4 | 166.8 | -117.3 | 0 | 0 | 110.7 | ||||
| 131 | A | 27.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 173.3 | 139.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 132 | E | 34.5 | Very low | 29.9 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | cis | 77.6 | 131.9 | 36.5 | -67 | -145.4 | 136.2 | 0 | 0 | 114.6 | ||||
| 133 | T | 28.4 | Very low | 29.9 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | cis | -166.7 | 155.4 | 11 | 26.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 134 | V | 29.7 | Very low | 30 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 60.1 | 150.4 | 138.6 | 166.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 135 | V | 28.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | cis | -173.8 | 159.1 | -38.2 | 105.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | L | 29.3 | Very low | 29.8 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | 71.2 | 149 | 167.6 | -124.9 | 77.4 | 0 | 0 | 0 | 120.1 | ||||
| 137 | G | 25.1 | Very low | 29.7 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | 149.5 | 113.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 138 | D | 26.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -125.4 | 174.1 | -172.4 | -156.3 | -11.3 | 0 | 0 | 0 | 111.7 | ||||
| 139 | L | 29.2 | Very low | 30 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 79.4 | 98.7 | 164.9 | -64.3 | 157.4 | 0 | 0 | 0 | 120.5 | ||||
| 140 | S | 25.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 54.4 | 147.4 | 112.9 | -54.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 141 | S | 26.6 | Very low | 29.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 78.3 | 147 | 160.3 | 80.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 142 | S | 26.3 | Very low | 29.5 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | cis | -168.4 | -178.5 | -18.4 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 143 | M | 29.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 100.1 | 165.3 | -54.6 | -69.6 | 90.3 | 0 | 0 | 119.2 | ||||
| 144 | H | 29.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | trans | 28.7 | 128.8 | 135.7 | -54.6 | -80.1 | 0 | 0 | 0 | 121.3 | ||||
| 145 | Q | 28.8 | Very low | 29.4 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | -142.3 | 158.2 | 104.9 | -163.2 | 149.8 | 21.6 | 0 | 0 | 110.5 | |||||
| 146 | D | 28.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -78.9 | 137.5 | -168.2 | -42.2 | -92.9 | 0 | 0 | 0 | 113.2 | ||||
| 147 | D | 29.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | -173.9 | 166.8 | 108.3 | -124.1 | -37.7 | 0 | 0 | 0 | 113.1 | |||||
| 148 | L | 39.7 | Very low | 29.9 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 64 | 56.1 | 157.8 | -144.8 | 72 | 0 | 0 | 0 | 120.9 | ||
| 149 | V | 34 | Very low | 30.1 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | 47.6 | 92.5 | 138.8 | -168 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 150 | N | 31.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 61.6 | 84.8 | 130.6 | -55.6 | -4.2 | 0 | 0 | 0 | 121.2 | ||||
| 151 | H | 29.9 | Very low | 30.2 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 19.3 | 148.5 | 91 | -67.5 | -45.3 | 0 | 0 | 0 | 119.3 | |||||
| 152 | T | 28.9 | Very low | 30.9 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | cis | -175.1 | 133.9 | -1.3 | -102.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 153 | V | 31.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 135.4 | 137.6 | -178.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 154 | D | 30.3 | Very low | 31.1 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 75.8 | 145.6 | 152.5 | -78.5 | -20.2 | 0 | 0 | 0 | 125.1 | ||||
| 155 | A | 29.4 | Very low | 31 | Very low | 92 Ų | 92 | 145.2 Ų | 145.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 59.2 | 99.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 156 | V | 32.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | -164.3 | 166.1 | 108.1 | 139.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 157 | E | 33.4 | Very low | 30.8 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -42.7 | 141.3 | 177.9 | -60.5 | 154 | 134.1 | 0 | 0 | 114.3 | ||||
| 158 | L | 27.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -124.8 | 116.9 | 168.1 | -75 | 178.4 | 0 | 0 | 0 | 111.4 | ||||
| 159 | E | 30.7 | Very low | 30.4 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -63.5 | 152.1 | 166.2 | -171.7 | 176.5 | 150.6 | 0 | 0 | 110.8 | ||||
| 160 | P | 31.1 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -69.4 | 136.6 | -169.9 | -19.6 | 33.2 | 0 | 0 | 0 | 113.8 | ||||
| 161 | S | 26 | Very low | 30 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -123.7 | 143 | 167.9 | 50 | 0 | 0 | 0 | 0 | 112 | ||||
| 162 | H | 40.8 | Very low | 30.1 | Very low | 195 Ų | 195 | 140 Ų | 140 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 154.5 | -174.8 | -77.8 | -38.3 | 0 | 0 | 0 | 114.2 | ||||
| 163 | S | 26.6 | Very low | 30 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -158.7 | 151.5 | 154.4 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 164 | Q | 33.9 | Very low | 30 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -169.3 | 149.2 | -17.1 | -113.2 | 171.3 | 29.1 | 0 | 0 | 109.7 | ||||
| 165 | T | 27.3 | Very low | 29.8 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | 169.9 | 144.6 | 142.6 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 166 | L | 26.8 | Very low | 30.3 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | cis | -156.4 | 141.5 | -2.7 | -124.8 | 168.4 | 0 | 0 | 0 | 111.8 | ||||
| 167 | S | 27.4 | Very low | 30 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 57% | 0.566 | 78% | 0.777 | S | S | * | * | trans | 52.9 | 122.5 | 148 | 58.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 168 | Q | 30.6 | Very low | 29.8 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 147.6 | 133.4 | -62.6 | 173.8 | 19.4 | 0 | 0 | 119.7 | ||||
| 169 | S | 29.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -171.6 | 175.5 | -20 | 64.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 170 | L | 27.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -155 | 155.3 | -0.2 | -169.3 | 70.1 | 0 | 0 | 0 | 107.8 | ||||
| 171 | L | 28.4 | Very low | 30.2 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -147.9 | 141.5 | 162.6 | -166.1 | 129.9 | 0 | 0 | 0 | 112.4 | ||||
| 172 | L | 32.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | trans | -116.3 | 153.8 | 174.4 | -72.2 | 159.4 | 0 | 0 | 0 | 107.2 | ||||
| 173 | D | 26.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -158.8 | 170.8 | 2.6 | -137.6 | -16.9 | 0 | 0 | 0 | 111.8 | ||||
| 174 | I | 30.3 | Very low | 30.4 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | 56 | 104.3 | 147 | -70.4 | 157.8 | 0 | 0 | 0 | 120.2 | ||||
| 175 | T | 26.5 | Very low | 30 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -26.4 | -167.2 | 131.7 | 22.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 176 | P | 39.8 | Very low | 29.9 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 59% | 0.591 | 74% | 0.742 | S | S | * | * | cis | -135.5 | 162.8 | 4.7 | 39.7 | -20.7 | 0 | 0 | 0 | 118.5 | ||||
| 177 | E | 26 | Very low | 30 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 59.7 | 171.6 | 140.8 | -66.5 | 177.4 | 128.9 | 0 | 0 | 118.7 | ||||
| 178 | I | 30.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | cis | -141.5 | 145.2 | 20.6 | -56.2 | 159.3 | 0 | 0 | 0 | 111.4 | ||||
| 179 | N | 26.7 | Very low | 29.6 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -105.3 | 166.6 | 171.1 | -101.9 | -37.7 | 0 | 0 | 0 | 110.5 | ||||
| 180 | P | 44.6 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | cis | -137.9 | -169.1 | -5.2 | 35.7 | -13.3 | 0 | 0 | 0 | 114.9 | ||||
| 181 | L | 25.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -62 | 178.1 | 158.7 | -123.3 | 64.5 | 0 | 0 | 0 | 112.2 | ||||
| 182 | P | 44.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | cis | -139.4 | 166.8 | -6.9 | 35.9 | -16.6 | 0 | 0 | 0 | 117.1 | ||||
| 183 | K | 24.4 | Very low | 29 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | 157.8 | 129.4 | 123.4 | -88.8 | 174.8 | 179.2 | 177.9 | 0 | 116.7 | |||||
| 184 | I | 29.4 | Very low | 29 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | 64.3 | 124.5 | 125.7 | -59.1 | 174.9 | 0 | 0 | 0 | 121 | |||||
| 185 | E | 25.8 | Very low | 28.7 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | 74.4 | 121.2 | 151 | -75.6 | 172.6 | 140.9 | 0 | 0 | 124.4 | ||||
| 186 | V | 24.9 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | 84.5 | 122.1 | 125.6 | 169.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 187 | S | 27.9 | Very low | 28.3 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 58.4 | 153.1 | 155.7 | -79.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 188 | E | 24.8 | Very low | 28.7 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | 168.3 | 175.4 | -7.2 | 175.6 | 167.4 | -172.1 | 0 | 0 | 105.2 | ||||
| 189 | S | 26.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 74.8 | 153.8 | 173.2 | 76.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 190 | V | 24.7 | Very low | 29.5 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | -170.6 | 163.8 | -69.5 | 46.9 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 191 | E | 26.1 | Very low | 28.5 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | 76.7 | 121.5 | 161.2 | -52.2 | -156.5 | 115.4 | 0 | 0 | 120.8 | ||||
| 192 | Y | 25.8 | Very low | 28.6 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | 36.7 | 158.5 | 120.9 | -39 | -53.8 | 0 | 0 | 0 | 121.5 | |||||
| 193 | E | 27.7 | Very low | 28.6 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | cis | -153.3 | -161 | 12 | -147 | -176.6 | 143 | 0 | 0 | 112.4 | ||||
| 194 | A | 26.5 | Very low | 28.6 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -55.4 | 161.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 195 | G | 25.2 | Very low | 28.5 | Very low | 62 Ų | 62 | 136.2 Ų | 136.2 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 112.8 | 141.6 | 10.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | H | 25.9 | Very low | 28.3 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -168.5 | 159.1 | 168.1 | -112.1 | 64.7 | 0 | 0 | 0 | 113.5 | ||||
| 197 | I | 31.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -125.8 | 162.7 | 169.7 | -33.4 | 177.5 | 0 | 0 | 0 | 107.7 | ||||
| 198 | P | 34.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | -146.3 | 166 | 109.4 | 37.6 | -22.1 | 0 | 0 | 0 | 116.7 | |||||
| 199 | S | 24.6 | Very low | 28.2 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -89.7 | -155.3 | 169.9 | -150.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | P | 48 | Very low | 28.4 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -139.7 | 172.6 | -11.3 | 41.8 | -23.9 | 0 | 0 | 0 | 117.2 | ||||
| 201 | V | 24.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | trans | -142.5 | 144.2 | 150.3 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 202 | I | 27.1 | Very low | 28.7 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -159.2 | 150.9 | -167.1 | -101.2 | 163.6 | 0 | 0 | 0 | 106.4 | ||||
| 203 | P | 44.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | cis | -149.5 | -160.7 | 41.9 | 43.1 | -20.9 | 0 | 0 | 0 | 117.2 | ||||
| 204 | Q | 24.3 | Very low | 29 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 76 | 142.6 | 148.7 | -78.2 | -164.3 | -38.3 | 0 | 0 | 122 | ||||
| 205 | E | 26.7 | Very low | 29.1 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 71% | 0.71 | 73% | 0.726 | S | S | * | * | cis | -168 | 164.1 | -20.8 | -139.4 | 167.5 | -118.4 | 0 | 0 | 112 | ||||
| 206 | S | 21.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 68 | 154.5 | 162.7 | 76.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 207 | S | 24.1 | Very low | 29 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -171 | 167.3 | -25.5 | 53 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 208 | V | 24.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | 69.8 | 114 | 169.6 | -170.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 209 | E | 27 | Very low | 28.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | cis | 89.4 | 156.4 | 37.8 | -165.6 | -176.9 | -115.9 | 0 | 0 | 113.2 | ||||
| 210 | I | 30.4 | Very low | 28.5 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | 77.1 | 126 | 177.4 | -51.6 | -178.5 | 0 | 0 | 0 | 114.1 | ||||
| 211 | D | 28.7 | Very low | 27.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | cis | 159.1 | 162.3 | -15.3 | -97.6 | 13.2 | 0 | 0 | 0 | 104.4 | ||||
| 212 | N | 28.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 58% | 0.583 | 71% | 0.706 | S | S | * | * | cis | -153.9 | 154.4 | 0.5 | -118.9 | -24.1 | 0 | 0 | 0 | 110.3 | ||||
| 213 | E | 31.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | 40.4 | 159 | 132.2 | -69.4 | -177.6 | 167.6 | 0 | 0 | 123.3 | ||||
| 214 | T | 29.4 | Very low | 27.1 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 63% | 0.632 | 71% | 0.712 | S | S | * | * | cis | -141.2 | 142.4 | -2 | -6.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 215 | E | 27.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | 24.9 | 147.9 | 133.9 | -75.5 | -150.4 | 106.9 | 0 | 0 | 124.2 | ||||
| 216 | Q | 25.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 137 Ų | 137 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | trans | 61.9 | 142.4 | 140.3 | -73.9 | -169 | 62.7 | 0 | 0 | 117.6 | ||||
| 217 | K | 23.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | cis | 157.3 | 163.7 | 8.3 | 166.8 | -177.3 | 165.5 | -171.3 | 0 | 102.7 | ||||
| 218 | S | 26.9 | Very low | 28.3 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | trans | 65.1 | 154.4 | 172.8 | 16.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 219 | E | 26.7 | Very low | 28.3 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | cis | -164.1 | 163.8 | -27.1 | -123.9 | 167.8 | -145.5 | 0 | 0 | 107.1 | ||||
| 220 | S | 27.5 | Very low | 28.2 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | trans | 48.1 | 102.8 | 145.3 | -57.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 221 | F | 27.6 | Very low | 28.2 | Very low | 204 Ų | 204 | 138.6 Ų | 138.6 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | 43.6 | 99.3 | 126 | -54.4 | -71.7 | 0 | 0 | 0 | 120.4 | |||||
| 222 | S | 27.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -162.8 | 116 | 132.9 | 31 | 0 | 0 | 0 | 0 | 108 | ||||
| 223 | S | 28 | Very low | 28.3 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 83 | 109.5 | 56.2 | 76.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 224 | I | 30.9 | Very low | 28.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | 72.1 | 101.2 | 160.3 | -54.5 | 166.7 | 0 | 0 | 0 | 116 | ||||
| 225 | E | 29.1 | Very low | 28.1 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | -151.2 | 167.7 | 118 | -128.1 | 177.7 | 170.2 | 0 | 0 | 112.3 | |||||
| 226 | K | 31.7 | Very low | 28.2 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -136.1 | 166.2 | 179.9 | -93.1 | -172.3 | 176.4 | -178.3 | 0 | 107.3 | ||||
| 227 | P | 37.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -137.1 | 159.5 | -36.9 | 38 | -22.6 | 0 | 0 | 0 | 112.8 | ||||
| 228 | S | 23.4 | Very low | 28.5 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -140.7 | 118 | 160.6 | 42.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | I | 24.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | 76.2 | 90.9 | 64.8 | -64.1 | 170.4 | 0 | 0 | 0 | 111 | |||||
| 230 | T | 25.4 | Very low | 28.7 | Very low | 105 Ų | 105 | 145 Ų | 145 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | trans | 62 | 163.8 | 164.8 | 42.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 231 | Y | 30.9 | Very low | 28.7 | Very low | 205 Ų | 205 | 146.5 Ų | 146.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -138.4 | 163 | 22.3 | -53.8 | -98.9 | 0 | 0 | 0 | 111.2 | ||||
| 232 | E | 29.2 | Very low | 28.8 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 159.5 | 164 | -60.5 | 163.9 | 93.5 | 0 | 0 | 110.9 | ||||
| 233 | T | 29.4 | Very low | 29 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | -176 | 118.3 | 128.1 | -79.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 234 | N | 28.4 | Very low | 29.2 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | 58.9 | 126.3 | 152.3 | -70.8 | -29.9 | 0 | 0 | 0 | 123.2 | ||||
| 235 | K | 27.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | 62.9 | 124.4 | 128.7 | -60 | 179.2 | -176.8 | -175 | 0 | 118.3 | |||||
| 236 | V | 29.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | cis | 61.7 | 82.8 | 48.5 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 237 | N | 27.9 | Very low | 29.5 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | -173.4 | 165.8 | 100.6 | -119.3 | 9.8 | 0 | 0 | 0 | 115 | |||||
| 238 | E | 28.1 | Very low | 29.6 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | 77.3 | 147.6 | 146.2 | -85.6 | 172 | 116 | 0 | 0 | 123.7 | ||||
| 239 | L | 28.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | 70.2 | 91.5 | 161.5 | -67.9 | 171.1 | 0 | 0 | 0 | 120 | ||||
| 240 | M | 29.4 | Very low | 30.4 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | -38.1 | 155.3 | 120.9 | -72.2 | -79 | -84.4 | 0 | 0 | 111.5 | |||||
| 241 | D | 27.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -162.8 | -178.1 | 38 | -143.5 | -38.5 | 0 | 0 | 0 | 112.7 | ||||
| 242 | N | 29 | Very low | 30.4 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | 80.6 | 139.7 | 174.9 | -45.2 | -81.7 | 0 | 0 | 0 | 114.3 | ||||
| 243 | I | 33.3 | Very low | 30.3 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | cis | -124.9 | 111.4 | 24.4 | -63.1 | 168.8 | 0 | 0 | 0 | 113.1 | ||||
| 244 | I | 32.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 59% | 0.585 | 73% | 0.734 | S | S | * | * | trans | 20.2 | 122.2 | 133 | -58.4 | 162.1 | 0 | 0 | 0 | 118.4 | ||||
| 245 | K | 35.3 | Very low | 29.9 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | -146 | 131.6 | 118.6 | -70.7 | -155.7 | 176.4 | -172.6 | 0 | 110.7 | |||||
| 246 | E | 34.1 | Very low | 30 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -69.1 | 170.8 | 167.2 | -65.1 | 126.8 | 132.2 | 0 | 0 | 111 | ||||
| 247 | D | 28.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -156 | 136.6 | 30.2 | -146.9 | 21.7 | 0 | 0 | 0 | 105.6 | ||||
| 248 | V | 38 | Very low | 29.8 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | 63.7 | 123.3 | 52.2 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 249 | N | 34.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | cis | -154.9 | 176.7 | 1.1 | -155.3 | -12 | 0 | 0 | 0 | 112.7 | ||||
| 250 | S | 30.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | 118.4 | 97.3 | 135.4 | -149.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 251 | M | 27.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | 42.1 | 111.9 | 128.8 | -62.4 | -170 | 69.4 | 0 | 0 | 123.7 | |||||
| 252 | Q | 29.3 | Very low | 30 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | 69.4 | 158.6 | 108.5 | -131.9 | -176.6 | 30.2 | 0 | 0 | 122.4 | |||||
| 253 | I | 27 | Very low | 30.9 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | trans | 92.1 | 108.2 | 155.1 | -66.9 | 168.5 | 0 | 0 | 0 | 120.9 | ||||
| 254 | F | 26.3 | Very low | 31.6 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | 78.8 | 142 | 137.8 | -88 | -130.7 | 0 | 0 | 0 | 126.6 | ||||
| 255 | T | 23.3 | Very low | 31.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | 60.9 | 108.7 | 145.2 | 47.5 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 256 | K | 29.7 | Very low | 31 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | 51.2 | 151.1 | 104.8 | -88.2 | -168.1 | 175.8 | -175.5 | 0 | 123.6 | |||||
| 257 | L | 26.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 79.1 | 142.6 | 163.2 | -104.7 | 65.9 | 0 | 0 | 0 | 116.5 | ||||
| 258 | S | 27.8 | Very low | 30.8 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | cis | -122.2 | -135.9 | 0.9 | -62.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 259 | E | 28.8 | Very low | 30.1 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | cis | -166.6 | 158.5 | -10.7 | -128.3 | 135.7 | 64.6 | 0 | 0 | 106 | ||||
| 260 | T | 28.2 | Very low | 30 | Very low | 109 Ų | 109 | 135 Ų | 135 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -173.8 | 158.8 | -25.5 | -98 | 0 | 0 | 0 | 0 | 110 | ||||
| 261 | I | 31 | Very low | 30.8 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 158.4 | 172.4 | -76.8 | 161.2 | 0 | 0 | 0 | 116.8 | ||||
| 262 | V | 29.5 | Very low | 30.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -131 | -157.2 | -145.6 | -144.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 263 | P | 48.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -116.9 | -141.4 | -133.3 | 46.5 | -26.2 | 0 | 0 | 0 | 111.6 | ||||
| 264 | P | 48.1 | Very low | 31 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -133.1 | -175.2 | -20.1 | 31.9 | -9.8 | 0 | 0 | 0 | 114.8 | ||||
| 265 | I | 25.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 149.9 | 137.2 | 132.6 | -78.4 | 160.3 | 0 | 0 | 0 | 112.4 | ||||
| 266 | N | 30 | Very low | 31.5 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -105.2 | 134.6 | 168.5 | -57 | -25.8 | 0 | 0 | 0 | 110.2 | ||||
| 267 | T | 26.6 | Very low | 31.5 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -150.1 | 152 | 157.5 | -27.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 268 | A | 30.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -110.2 | 162.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 269 | T | 24.6 | Very low | 31.8 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -145.1 | 142.4 | 166.2 | -43.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 270 | V | 32.3 | Very low | 31.8 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -132.7 | 127 | 170.7 | 170 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 271 | P | 46.4 | Very low | 32 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | -147.7 | -178.6 | 126.6 | 37.1 | -21 | 0 | 0 | 0 | 113.2 | |||||
| 272 | D | 27.8 | Very low | 32 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | -176.9 | -177.8 | -43.9 | -151 | -29.5 | 0 | 0 | 0 | 107.2 | ||||
| 273 | N | 29.2 | Very low | 32 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 150.1 | 170.5 | -35.8 | -86.3 | 0 | 0 | 0 | 115.9 | ||||
| 274 | E | 30.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | cis | -132.6 | 159.3 | -8.1 | -70.2 | -168.4 | 154.8 | 0 | 0 | 107.6 | ||||
| 275 | D | 27.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | cis | 91.4 | 138.9 | 30.3 | -152.2 | 11.2 | 0 | 0 | 0 | 116 | ||||
| 276 | G | 32.7 | Very low | 30.8 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 156 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 277 | E | 28.7 | Very low | 30.9 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -153.1 | 129.8 | -22.9 | -145.5 | -139.8 | 127.2 | 0 | 0 | 112 | K279 | E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 PolarHBondContact OE1-NZ 2.87Å | ||
| 278 | A | 29.4 | Very low | 30.9 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 54% | 0.537 | 75% | 0.745 | S | S | . | * | trans | 51.2 | 146.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 279 | K | 31.9 | Very low | 30.7 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 78.6 | 143.4 | 145.6 | -70.5 | 144.5 | -164 | 151.6 | 0 | 118.9 | E277 | E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 PolarHBondContact OE1-NZ 2.87Å | ||
| 280 | M | 29.5 | Very low | 30.8 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | cis | -169.1 | 128.7 | -9.3 | 171.9 | 170.3 | 72.4 | 0 | 0 | 113.5 | ||||
| 281 | N | 30.7 | Very low | 30.6 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 63.3 | 159.2 | 155.1 | -63 | -7.7 | 0 | 0 | 0 | 119.1 | ||||
| 282 | I | 31.6 | Very low | 29.5 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | cis | -148.7 | 148.2 | 8.9 | -131.9 | 150.4 | 0 | 0 | 0 | 110.3 | ||||
| 283 | A | 30.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | 43.4 | 153.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 284 | D | 30.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | cis | -157.4 | 168.9 | 18.2 | -143.4 | -27.8 | 0 | 0 | 0 | 114.8 | ||||
| 285 | T | 35 | Very low | 29.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | 71.8 | 110.2 | 162 | -53 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 286 | A | 30.4 | Very low | 29.1 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | 40.9 | 118.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 287 | K | 31.1 | Very low | 28.7 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | cis | 62.8 | 135.2 | 47.3 | -56.3 | -170.7 | 173.1 | -169 | 0 | 113.6 | ||||
| 288 | Q | 27.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | cis | -167.4 | 170 | 1.6 | -128.9 | 179.2 | -103.2 | 0 | 0 | 108 | ||||
| 289 | T | 25.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | cis | -148.4 | 129.6 | 8 | -50.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 290 | L | 26.3 | Very low | 28.4 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 66.2 | 140.1 | 76.2 | -129.6 | 169.3 | 0 | 0 | 0 | 115.2 | |||||
| 291 | I | 28.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 85.5 | 130.9 | 172.5 | -48.8 | 177.9 | 0 | 0 | 0 | 115.5 | ||||
| 292 | S | 23.7 | Very low | 28 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | -169.7 | -176.7 | -35.8 | 60.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 293 | V | 28.9 | Very low | 27.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | 98.2 | 94.1 | 168.8 | -170.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 294 | V | 29.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 34.5 | 108.2 | 121.5 | -179.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 295 | D | 23.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 68.8 | 130.1 | 64.3 | -158.6 | 54.1 | 0 | 0 | 0 | 111.9 | |||||
| 296 | S | 25.1 | Very low | 27.6 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -159.7 | -175.1 | 2.3 | -137.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 297 | S | 23.8 | Very low | 27.5 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 86.2 | 99.9 | 151.7 | -153.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 298 | S | 24.5 | Very low | 27.3 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | 84.2 | 146 | 119.9 | 71.1 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 299 | L | 26.7 | Very low | 27.9 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | 75.8 | 151.7 | 168.9 | -96.3 | 75 | 0 | 0 | 0 | 117.3 | ||||
| 300 | P | 33.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | -120.5 | 148.3 | -112 | 38.3 | -26.6 | 0 | 0 | 0 | 115.3 | |||||
| 301 | E | 23.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -79.5 | 118.1 | 174.5 | -169.4 | 176.6 | 160.1 | 0 | 0 | 110.7 | K303 | E301-K303 PolarHBondContact O-N 3.11Š| ||
| 302 | V | 28.6 | Very low | 29.2 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -77.7 | 105.7 | 171.7 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | E304 | V302-E304 PolarHBondContact O-N 3.43Å; V302-E304 VanDerWaalsContact O-N 3.15Å | ||
| 303 | K | 28.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | trans | -66.4 | 106.7 | 172.6 | -83.5 | 176.2 | 163.4 | -95.1 | 0 | 111 | E301 E305 | E301-K303 PolarHBondContact O-N 3.11Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 IonicContact NZ-OE2 3.68Å; K303-E305 PolarHBondContact NZ-OE2 2.96Å; K303-E305 PolarHBondContact O-N 3.29Å | ||
| 304 | E | 34.1 | Very low | 30.1 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | -87.8 | 76.2 | 155 | -69.5 | -163.5 | 137.4 | 0 | 0 | 109.8 | V302 | V302-E304 PolarHBondContact O-N 3.43Å; V302-E304 VanDerWaalsContact O-N 3.15Å | ||
| 305 | E | 27.8 | Very low | 30.4 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -123.2 | 136.3 | 160.7 | -67 | 173.9 | 124.7 | 0 | 0 | 106.3 | K303 | K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 IonicContact NZ-OE2 3.68Å; K303-E305 PolarHBondContact NZ-OE2 2.96Å; K303-E305 PolarHBondContact O-N 3.29Å | ||
| 306 | E | 28.3 | Very low | 31.2 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | cis | -126.3 | 154.9 | 13.5 | -59.4 | 170.3 | 85 | 0 | 0 | 112.6 | ||||
| 307 | Q | 29.2 | Very low | 31.9 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -132.7 | 77.2 | 152.6 | -161 | 166.4 | 60.5 | 0 | 0 | 109.6 | ||||
| 308 | S | 27 | Very low | 32.7 | Very low | 58 Ų | 58 | 144 Ų | 144 | 41% | 0.406 | 76% | 0.76 | S | S | . | * | trans | -63.2 | 133.4 | -175.6 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | E310 | S308-E310 WeakPolarHBondContact CB-OE1 3.19Å; S308-E310 PolarHBondContact O-N 3.27Å; S308-E310 VanDerWaalsContact OG-CD 3.29Å; S308-E310 PolarHBondContact OG-OE1 3.26Å | ||
| 309 | P | 39.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -91.6 | 60.3 | -170.1 | 37.3 | -37.9 | 0 | 0 | 0 | 114 | ||||
| 310 | E | 33.3 | Very low | 34 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 66% | 0.659 | 77% | 0.768 | S | S | * | * | trans | -119.9 | 24.9 | -168.7 | 65 | -159.4 | 133.8 | 0 | 0 | 117.8 | S308 | S308-E310 WeakPolarHBondContact CB-OE1 3.19Å; S308-E310 PolarHBondContact O-N 3.27Å; S308-E310 VanDerWaalsContact OG-CD 3.29Å; S308-E310 PolarHBondContact OG-OE1 3.26Å | ||
| 311 | D | 35.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -96.4 | 14 | 173.7 | -152.7 | -1.1 | 0 | 0 | 0 | 113.7 | ||
| 312 | A | 38.4 | Very low | 35.6 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -105.5 | -11.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 313 | L | 34.4 | Very low | 36.1 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -120.1 | 4.7 | -175.1 | -94.1 | 170.3 | 0 | 0 | 0 | 115.5 | ||
| 314 | L | 36.4 | Very low | 36.4 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -115.6 | 29.5 | 177.5 | -67.5 | 177.5 | 0 | 0 | 0 | 114 | ||
| 315 | R | 37.8 | Very low | 37.2 | Very low | 218 Ų | 218 | 148.5 Ų | 148.5 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -109.7 | 19.2 | 170 | -66.2 | -168 | -176.9 | -124.8 | 0.3 | 114.4 | ||
| 316 | G | 38.4 | Very low | 38.3 | Very low | 55 Ų | 55 | 145.2 Ų | 145.2 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -134 | 141.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 317 | L | 40.8 | Very low | 39.2 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 61.1 | 69.1 | 172.4 | -163.8 | 72.4 | 0 | 0 | 0 | 116.8 | ||
| 318 | Q | 40.3 | Very low | 40 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 172.6 | 92.2 | 132.5 | -97.1 | -173.2 | 35 | 0 | 0 | 112.4 | ||||
| 319 | R | 38.8 | Very low | 40.6 | Very low | 243 Ų | 243 | 148.4 Ų | 148.4 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -158.8 | 61.5 | 155.1 | -83.5 | -158.2 | 172.6 | 70.9 | -0.3 | 109.7 | ||
| 320 | T | 40.5 | Very low | 40.6 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -147.2 | 30.3 | -172.1 | -33.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | A | 43.8 | Very low | 41 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -139.5 | 18 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 322 | T | 44.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -134.7 | -28.7 | 175.8 | 40.2 | 0 | 0 | 0 | 0 | 115.1 | F324 | T322-F324 VanDerWaalsContact C-N 3.28Å; T322-F324 PolarHBondContact O-N 2.96Å |
| 323 | D | 40.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -79.7 | -4.4 | 175.2 | -104 | -42.9 | 0 | 0 | 0 | 114.3 | Y325 A326 R371 | D323-Y325 PolarHBondContact O-N 3.37Å; D323-A326 PolarHBondContact O-N 3.43Å; D323-R371 IonicContact OD1-NH2 2.66Å; D323-R371 PolarHBondContact OD1-NH2 2.92Å |
| 324 | F | 35 | Very low | 41.3 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -73.6 | 4.5 | -172.3 | -144.9 | -95.4 | 0 | 0 | 0 | 115 | T322 | T322-F324 VanDerWaalsContact C-N 3.28Å; T322-F324 PolarHBondContact O-N 2.96Å |
| 325 | Y | 50.1 | Low | 41.4 | Very low | 230 Ų | 230 | 148 Ų | 148 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -109.8 | -1.3 | -177.6 | -141.7 | -94.3 | 0 | 0 | 0 | 114.3 | D323 | D323-Y325 PolarHBondContact O-N 3.37Š|
| 326 | A | 50.5 | Low | 41.5 | Very low | 68 Ų | 68 | 148.6 Ų | 148.6 | 56% | 0.562 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -107.8 | -16.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D323 | D323-A326 PolarHBondContact O-N 3.43Š|
| 327 | E | 46.9 | Very low | 41.4 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -113.3 | 3.1 | -165.4 | -157.9 | 163.6 | -151.3 | 0 | 0 | 115.3 | ||
| 328 | L | 46 | Very low | 41.2 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -108.8 | 52.7 | -171.6 | -150.8 | 77.7 | 0 | 0 | 0 | 115 | ||
| 329 | Q | 41.1 | Very low | 41.2 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -153.3 | 26.6 | 176.2 | -131.6 | 170 | 80.3 | 0 | 0 | 117.5 | ||
| 330 | N | 39.3 | Very low | 41.4 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -134.9 | 22 | 178.6 | -93 | -45.2 | 0 | 0 | 0 | 115.1 | ||
| 331 | S | 41.1 | Very low | 41.4 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -143.8 | 141.7 | 171.8 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 332 | T | 38.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 68.6 | 126.7 | -159.5 | -21.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 333 | D | 36.9 | Very low | 41.3 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -141.8 | -171.1 | 19.2 | -164 | 10.3 | 0 | 0 | 0 | 112.5 | ||||
| 334 | L | 39 | Very low | 41.6 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 85.1 | 54.6 | 169 | -152.2 | 75.2 | 0 | 0 | 0 | 117.2 | ||||
| 335 | G | 40 | Very low | 42.3 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -102.8 | 77.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 336 | Y | 39.4 | Very low | 42.4 | Very low | 232 Ų | 232 | 134.2 Ų | 134.2 | 91% | 0.91 | 78% | 0.781 | S | S | * | * | trans | -152.5 | 154 | 163.5 | -96.7 | -67.9 | 0 | 0 | 0 | 113.5 | ||||
| 337 | A | 36.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 74.7 | 99 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 338 | N | 37.1 | Very low | 42.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 104.1 | 137.8 | -63.6 | -35.4 | 0 | 0 | 0 | 121.6 | ||||
| 339 | G | 40.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | 43 | 125.2 | 105.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 340 | N | 41.3 | Very low | 45.1 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 53.1 | 92.4 | 161.6 | -80.4 | -0.8 | 0 | 0 | 0 | 117.8 | ||||
| 341 | L | 40.7 | Very low | 47.1 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -143.7 | 106.7 | 136.5 | -161.9 | 64.5 | 0 | 0 | 0 | 112.7 | H343 | L341-H343 HydrophobicContact CG-CB 4.45Å; L341-H343 PolarHBondContact O-N 3.19Å | ||
| 342 | V | 50.2 | Low | 49 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -80.3 | 92.1 | 165.4 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 343 | H | 37.3 | Very low | 51.2 | Low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -150.3 | 142.2 | 162.6 | -90.7 | -66.9 | 0 | 0 | 0 | 111.3 | L341 S345 | L341-H343 HydrophobicContact CG-CB 4.45Å; L341-H343 PolarHBondContact O-N 3.19Å; H343-S345 PolarHBondContact O-N 2.99Å; H343-S345 VanDerWaalsContact O-N 3.16Å | ||
| 344 | G | 45.6 | Very low | 53.5 | Low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -73.9 | 103.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | S | 50.8 | Low | 55.9 | Low | 78 Ų | 78 | 128.4 Ų | 128.4 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | trans | -112.9 | 30.2 | -179.2 | -170.6 | 0 | 0 | 0 | 0 | 114.2 | H343 Q347 K348 | H343-S345 PolarHBondContact O-N 2.99Å; H343-S345 VanDerWaalsContact O-N 3.16Å; S345-Q347 PolarHBondContact O-N 3.45Å; S345-K348 PolarHBondContact O-N 2.75Å; S345-K348 VanDerWaalsContact O-N 3.14Å | ||
| 346 | N | 52.6 | Low | 58.2 | Low | 139 Ų | 139 | 129.1 Ų | 129.1 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -0.4 | -179.7 | -70.3 | -31 | 0 | 0 | 0 | 115 | ||
| 347 | Q | 53.8 | Low | 60.6 | Low | 191 Ų | 191 | 123.7 Ų | 123.7 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -0.7 | 178.3 | -67.4 | -176.7 | -18.4 | 0 | 0 | 114.2 | S345 | S345-Q347 PolarHBondContact O-N 3.45Š|
| 348 | K | 54.1 | Low | 63.3 | Low | 184 Ų | 184 | 128 Ų | 128 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | -116.8 | 5 | 179.3 | -90.7 | -169.9 | 175.2 | -175.5 | 0 | 116 | S345 S350 | S345-K348 PolarHBondContact O-N 2.75Å; S345-K348 VanDerWaalsContact O-N 3.14Å; K348-S350 PolarHBondContact O-N 2.91Å | ||
| 349 | E | 58.4 | Low | 65.8 | Low | 101 Ų | 101 | 124.6 Ų | 124.6 | 47% | 0.472 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -60.1 | 107.4 | 144.9 | -74.4 | -172.6 | 147.7 | 0 | 0 | 107.5 | V351 R354 | E349-V351 PolarHBondContact O-N 3.41Å; E349-R354 IonicContact OE2-CZ 3.41Å; E349-R354 IonicContact OE2-NE 3.26Å; E349-R354 PolarHBondContact OE2-NE 3.43Å; E349-R354 IonicContact OE2-NH2 2.71Å; E349-R354 PolarHBondContact OE2-NH2 3.37Å |
| 350 | S | 75.4 | Confident | 68.3 | Low | 63 Ų | 63 | 125.8 Ų | 125.8 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | trans | -53.8 | 140.1 | 176.3 | 180 | 0 | 0 | 0 | 0 | 110 | K348 F352 M353 R354 | K348-S350 PolarHBondContact O-N 2.91Å; S350-F352 PolarHBondContact O-N 2.93Å; S350-F352 VanDerWaalsContact O-N 3.08Å; S350-M353 WeakPolarHBondContact O-CA 3.3Å; S350-M353 WeakPolarHBondContact O-CB 3.39Å; S350-M353 PolarHBondContact O-N 3.45Å; S350-R354 PolarHBondContact O-N 2.89Å | ||
| 351 | V | 79.8 | Confident | 70.7 | Confident | 112 Ų | 112 | 120.7 Ų | 120.7 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -52.5 | -36.2 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | E349 M353 R354 L355 | E349-V351 PolarHBondContact O-N 3.41Å; V351-M353 PolarHBondContact O-N 2.92Å; V351-R354 PolarHBondContact O-N 3.4Å; V351-L355 VanDerWaalsContact O-CB 3.26Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 2.89Å |
| 352 | F | 80.9 | Confident | 73.3 | Confident | 163 Ų | 163 | 118.3 Ų | 118.3 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61 | -37.1 | 173.6 | -66.3 | -83.9 | 0 | 0 | 0 | 114.1 | S350 N356 | S350-F352 PolarHBondContact O-N 2.93Å; S350-F352 VanDerWaalsContact O-N 3.08Å; F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 2.81Å |
| 353 | M | 85.5 | Confident | 75.3 | Confident | 127 Ų | 127 | 117.7 Ų | 117.7 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.6 | -41 | 179.1 | -173 | 173.3 | -179.5 | 0 | 0 | 111.4 | S350 V351 N356 N357 | S350-M353 WeakPolarHBondContact O-CA 3.3Å; S350-M353 WeakPolarHBondContact O-CB 3.39Å; S350-M353 PolarHBondContact O-N 3.45Å; V351-M353 PolarHBondContact O-N 2.92Å; M353-N356 PolarHBondContact O-N 2.99Å; M353-N357 WeakPolarHBondContact O-CB 3.29Å; M353-N357 PolarHBondContact O-N 3.31Å |
| 354 | R | 86.1 | Confident | 78 | Confident | 128 Ų | 128 | 114.6 Ų | 114.6 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -37.4 | 174.8 | -166.9 | 174.8 | -63.2 | 141.9 | 0 | 111.9 | E349 S350 V351 R358 | E349-R354 IonicContact OE2-CZ 3.41Å; E349-R354 IonicContact OE2-NE 3.26Å; E349-R354 PolarHBondContact OE2-NE 3.43Å; E349-R354 IonicContact OE2-NH2 2.71Å; E349-R354 PolarHBondContact OE2-NH2 3.37Å; S350-R354 PolarHBondContact O-N 2.89Å; V351-R354 PolarHBondContact O-N 3.4Å; R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 PolarHBondContact O-N 3.4Å |
| 355 | L | 87.4 | Confident | 80.2 | Confident | 93 Ų | 93 | 115 Ų | 115 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.4 | -47.1 | 172.7 | -175.1 | 65.3 | 0 | 0 | 0 | 111.5 | V351 R358 I359 | V351-L355 VanDerWaalsContact O-CB 3.26Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 2.89Å; L355-R358 CarbonylContact O-C 3.6Å; L355-R358 PolarHBondContact O-N 2.95Å; L355-I359 HydrophobicContact CD1-CD1 4.37Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 2.66Å |
| 356 | N | 88.8 | Confident | 82.2 | Confident | 85 Ų | 85 | 118.1 Ų | 118.1 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.8 | -46.7 | 176.8 | -176.7 | -14.7 | 0 | 0 | 0 | 111.5 | F352 M353 R358 I359 K360 | F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 2.81Å; M353-N356 PolarHBondContact O-N 2.99Å; N356-R358 VanDerWaalsContact C-N 3.34Å; N356-R358 PolarHBondContact O-N 3.38Å; N356-I359 PolarHBondContact O-N 3.25Å; N356-K360 PolarHBondContact O-N 2.96Å |
| 357 | N | 89.6 | Confident | 84 | Confident | 117 Ų | 117 | 114.7 Ų | 114.7 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.6 | -43.8 | 174 | -174.7 | -80.8 | 0 | 0 | 0 | 111.8 | M353 K360 A361 | M353-N357 WeakPolarHBondContact O-CB 3.29Å; M353-N357 PolarHBondContact O-N 3.31Å; N357-K360 PolarHBondContact O-N 3.39Å; N357-A361 WeakPolarHBondContact O-CB 3.43Å; N357-A361 PolarHBondContact O-N 2.87Å |
| 358 | R | 92.7 | Very high | 85.9 | Confident | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -35.5 | 175.5 | -172.1 | 174.8 | -179.3 | 177.1 | 0.2 | 113.1 | R354 L355 N356 A361 L362 | R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 PolarHBondContact O-N 3.4Å; L355-R358 CarbonylContact O-C 3.6Å; L355-R358 PolarHBondContact O-N 2.95Å; N356-R358 VanDerWaalsContact C-N 3.34Å; N356-R358 PolarHBondContact O-N 3.38Å; R358-A361 PolarHBondContact O-N 3.05Å; R358-L362 HydrophobicContact CG-CD1 4.23Å; R358-L362 WeakPolarHBondContact O-CB 3.29Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 2.83Å |
| 359 | I | 90.3 | Very high | 87.8 | Confident | 90 Ų | 90 | 104.5 Ų | 104.5 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -50.6 | 174.4 | -72.2 | 165.8 | 0 | 0 | 0 | 109.7 | L355 N356 A361 L362 E363 | L355-I359 HydrophobicContact CD1-CD1 4.37Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 2.66Å; N356-I359 PolarHBondContact O-N 3.25Å; I359-A361 VanDerWaalsContact C-N 3.29Å; I359-A361 PolarHBondContact O-N 3.03Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 WeakPolarHBondContact O-CA 3.35Å; I359-L362 WeakPolarHBondContact O-CB 3.49Å; I359-L362 PolarHBondContact O-N 3.09Å; I359-E363 WeakPolarHBondContact O-CB 3.36Å; I359-E363 PolarHBondContact O-N 2.78Å |
| 360 | K | 93.3 | Very high | 89.6 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.4 | -70.2 | -168.5 | 173.4 | -150.1 | 0 | 112.4 | N356 N357 L362 E363 V364 | N356-K360 PolarHBondContact O-N 2.96Å; N357-K360 PolarHBondContact O-N 3.39Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-E363 PolarHBondContact O-N 3.48Å; K360-V364 WeakPolarHBondContact O-CB 3.29Å; K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.47Å; K360-V364 PolarHBondContact O-N 3.49Å |
| 361 | A | 92.2 | Very high | 90.5 | Very high | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N357 R358 I359 N365 | N357-A361 WeakPolarHBondContact O-CB 3.43Å; N357-A361 PolarHBondContact O-N 2.87Å; R358-A361 PolarHBondContact O-N 3.05Å; I359-A361 VanDerWaalsContact C-N 3.29Å; I359-A361 PolarHBondContact O-N 3.03Å; A361-N365 WeakPolarHBondContact O-CB 3.39Å; A361-N365 PolarHBondContact O-N 3.26Å |
| 362 | L | 94.6 | Very high | 91.3 | Very high | 101 Ų | 101 | 106.8 Ų | 106.8 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.1 | -37 | 174.2 | -75.8 | 166.2 | 0 | 0 | 0 | 112.5 | R358 I359 K360 N365 M366 | R358-L362 HydrophobicContact CG-CD1 4.23Å; R358-L362 WeakPolarHBondContact O-CB 3.29Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 2.83Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 WeakPolarHBondContact O-CA 3.35Å; I359-L362 WeakPolarHBondContact O-CB 3.49Å; I359-L362 PolarHBondContact O-N 3.09Å; K360-L362 VanDerWaalsContact C-N 3.34Å; L362-N365 PolarHBondContact O-N 2.99Å; L362-M366 VanDerWaalsContact O-CB 3.26Å; L362-M366 WeakPolarHBondContact O-CB 3.34Å; L362-M366 PolarHBondContact O-N 3.17Å |
| 363 | E | 92.7 | Very high | 92 | Very high | 127 Ų | 127 | 104.2 Ų | 104.2 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 174.3 | -177.5 | 176.9 | -160.8 | 0 | 0 | 111.3 | I359 K360 S367 | I359-E363 WeakPolarHBondContact O-CB 3.36Å; I359-E363 PolarHBondContact O-N 2.78Å; K360-E363 PolarHBondContact O-N 3.48Å; E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 2.93Å; E363-S367 PolarHBondContact O-OG 3.38Å |
| 364 | V | 92.9 | Very high | 92.5 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 172 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | K360 S367 L368 | K360-V364 WeakPolarHBondContact O-CB 3.29Å; K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.47Å; K360-V364 PolarHBondContact O-N 3.49Å; V364-S367 WeakPolarHBondContact CA-OG 3.43Å; V364-S367 PolarHBondContact O-OG 3.48Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 2.85Å |
| 365 | N | 92.6 | Very high | 93 | Very high | 92 Ų | 92 | 102.6 Ų | 102.6 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70 | -39.8 | 179.5 | -167.1 | -31.3 | 0 | 0 | 0 | 112.1 | A361 L362 L368 S369 | A361-N365 WeakPolarHBondContact O-CB 3.39Å; A361-N365 PolarHBondContact O-N 3.26Å; L362-N365 PolarHBondContact O-N 2.99Å; N365-L368 PolarHBondContact O-N 3.3Å; N365-S369 VanDerWaalsContact O-CB 3.31Å; N365-S369 WeakPolarHBondContact O-CB 3.42Å; N365-S369 PolarHBondContact O-N 3.14Å; N365-S369 PolarHBondContact O-OG 2.8Å; N365-S369 PolarHBondContact OD1-OG 2.75Å |
| 366 | M | 91.9 | Very high | 93.4 | Very high | 144 Ų | 144 | 102.1 Ų | 102.1 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 175.8 | -171.5 | 64.6 | 70.3 | 0 | 0 | 111.5 | L362 S369 G370 | L362-M366 VanDerWaalsContact O-CB 3.26Å; L362-M366 WeakPolarHBondContact O-CB 3.34Å; L362-M366 PolarHBondContact O-N 3.17Å; M366-S369 PolarHBondContact O-N 3.08Å; M366-G370 PolarHBondContact O-N 2.89Å |
| 367 | S | 91.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | 177 | 52.7 | 0 | 0 | 0 | 0 | 113 | E363 V364 G370 R371 | E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 2.93Å; E363-S367 PolarHBondContact O-OG 3.38Å; V364-S367 WeakPolarHBondContact CA-OG 3.43Å; V364-S367 PolarHBondContact O-OG 3.48Å; S367-G370 PolarHBondContact O-N 2.89Å; S367-R371 PolarHBondContact O-N 2.74Å |
| 368 | L | 93.9 | Very high | 94 | Very high | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 170.6 | -178.4 | 68.5 | 0 | 0 | 0 | 111.7 | V364 N365 R371 Y372 | V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 2.85Å; N365-L368 PolarHBondContact O-N 3.3Å; L368-R371 PolarHBondContact O-N 3.22Å; L368-Y372 WeakPolarHBondContact O-CB 3.28Å; L368-Y372 PolarHBondContact O-N 2.8Å |
| 369 | S | 94.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | N365 M366 Y372 L373 | N365-S369 VanDerWaalsContact O-CB 3.31Å; N365-S369 WeakPolarHBondContact O-CB 3.42Å; N365-S369 PolarHBondContact O-N 3.14Å; N365-S369 PolarHBondContact O-OG 2.8Å; N365-S369 PolarHBondContact OD1-OG 2.75Å; M366-S369 PolarHBondContact O-N 3.08Å; S369-Y372 PolarHBondContact O-N 2.83Å; S369-L373 WeakPolarHBondContact O-CG 3.48Å; S369-L373 PolarHBondContact O-N 3.01Å |
| 370 | G | 95.3 | Very high | 94.5 | Very high | 38 Ų | 38 | 103.6 Ų | 103.6 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -52.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M366 S367 Y372 L373 E374 | M366-G370 PolarHBondContact O-N 2.89Å; S367-G370 PolarHBondContact O-N 2.89Å; G370-Y372 VanDerWaalsContact C-N 3.3Å; G370-Y372 PolarHBondContact O-N 3.07Å; G370-L373 PolarHBondContact O-N 2.78Å; G370-E374 WeakPolarHBondContact O-CB 3.47Å; G370-E374 PolarHBondContact O-N 3.35Å |
| 371 | R | 93.9 | Very high | 94.7 | Very high | 137 Ų | 137 | 106.8 Ų | 106.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 176.7 | -76.4 | 179.8 | 167 | -155.1 | -11.5 | 112.6 | D323 S367 L368 E374 E375 | D323-R371 IonicContact OD1-NH2 2.66Å; D323-R371 PolarHBondContact OD1-NH2 2.92Å; S367-R371 PolarHBondContact O-N 2.74Å; L368-R371 PolarHBondContact O-N 3.22Å; R371-E374 PolarHBondContact O-N 3.04Å; R371-E375 WeakPolarHBondContact O-CB 3.3Å; R371-E375 PolarHBondContact O-N 3.26Å |
| 372 | Y | 96.5 | Very high | 94.9 | Very high | 148 Ų | 148 | 109.6 Ų | 109.6 | 58% | 0.58 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 176.6 | 175.9 | -101.2 | 0 | 0 | 0 | 112.5 | L368 S369 G370 E375 L376 | L368-Y372 WeakPolarHBondContact O-CB 3.28Å; L368-Y372 PolarHBondContact O-N 2.8Å; S369-Y372 PolarHBondContact O-N 2.83Å; G370-Y372 VanDerWaalsContact C-N 3.3Å; G370-Y372 PolarHBondContact O-N 3.07Å; Y372-E375 PolarHBondContact O-N 2.82Å; Y372-L376 HydrophobicContact CE1-CD2 4.32Å; Y372-L376 VanDerWaalsContact O-CB 3.26Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.43Å |
| 373 | L | 96.3 | Very high | 95 | Very high | 109 Ų | 109 | 111.3 Ų | 111.3 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 176.1 | -70.7 | 172.2 | 0 | 0 | 0 | 112 | S369 G370 L376 S377 | S369-L373 WeakPolarHBondContact O-CG 3.48Å; S369-L373 PolarHBondContact O-N 3.01Å; G370-L373 PolarHBondContact O-N 2.78Å; L373-L376 PolarHBondContact O-N 2.96Å; L373-S377 WeakPolarHBondContact O-CB 3.43Å; L373-S377 PolarHBondContact O-N 2.9Å |
| 374 | E | 95.7 | Very high | 95.1 | Very high | 134 Ų | 134 | 108.8 Ų | 108.8 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -52.3 | 173.2 | -174.5 | 172.9 | -158 | 0 | 0 | 111 | G370 R371 L376 S377 Q378 | G370-E374 WeakPolarHBondContact O-CB 3.47Å; G370-E374 PolarHBondContact O-N 3.35Å; R371-E374 PolarHBondContact O-N 3.04Å; E374-L376 PolarHBondContact O-N 3.3Å; E374-S377 PolarHBondContact O-N 3.38Å; E374-S377 PolarHBondContact O-OG 2.99Å; E374-Q378 PolarHBondContact O-N 2.83Å |
| 375 | E | 96.5 | Very high | 95.2 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 178 | -161.7 | -167.1 | 161.5 | 0 | 0 | 112.1 | R371 Y372 S377 Q378 R379 | R371-E375 WeakPolarHBondContact O-CB 3.3Å; R371-E375 PolarHBondContact O-N 3.26Å; Y372-E375 PolarHBondContact O-N 2.82Å; E375-S377 PolarHBondContact O-N 2.89Å; E375-Q378 PolarHBondContact O-N 3.26Å; E375-R379 WeakPolarHBondContact O-CB 3.49Å; E375-R379 VanDerWaalsContact O-CG 3.26Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.38Å; E375-R379 IonicContact OE1-CZ 3.56Å; E375-R379 IonicContact OE1-NE 3.37Å; E375-R379 PolarHBondContact OE1-NE 3.06Å; E375-R379 IonicContact OE1-NH2 3.15Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å |
| 376 | L | 96.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 110.8 Ų | 110.8 | 44% | 0.44 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.6 | -177 | 63.1 | 0 | 0 | 0 | 111.5 | Y372 L373 E374 Q378 R379 Y380 | Y372-L376 HydrophobicContact CE1-CD2 4.32Å; Y372-L376 VanDerWaalsContact O-CB 3.26Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.43Å; L373-L376 PolarHBondContact O-N 2.96Å; E374-L376 PolarHBondContact O-N 3.3Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.49Å; L376-R379 PolarHBondContact O-N 3.35Å; L376-Y380 WeakPolarHBondContact O-CB 3.4Å; L376-Y380 PolarHBondContact O-N 3.46Å |
| 377 | S | 94.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 109.6 Ų | 109.6 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 176.6 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | L373 E374 E375 R381 | L373-S377 WeakPolarHBondContact O-CB 3.43Å; L373-S377 PolarHBondContact O-N 2.9Å; E374-S377 PolarHBondContact O-N 3.38Å; E374-S377 PolarHBondContact O-OG 2.99Å; E375-S377 PolarHBondContact O-N 2.89Å; S377-R381 WeakPolarHBondContact O-CB 3.29Å; S377-R381 PolarHBondContact O-N 2.92Å |
| 378 | Q | 95.8 | Very high | 95.7 | Very high | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.7 | -43 | 176.6 | -169 | -177.9 | 29.7 | 0 | 0 | 111.4 | E374 E375 L376 R381 K382 | E374-Q378 PolarHBondContact O-N 2.83Å; E375-Q378 PolarHBondContact O-N 3.26Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.49Å; Q378-R381 PolarHBondContact O-N 3.28Å; Q378-K382 VanDerWaalsContact O-CB 3.29Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 PolarHBondContact O-N 2.86Å |
| 379 | R | 96.3 | Very high | 95.9 | Very high | 151 Ų | 151 | 113 Ų | 113 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 174.1 | -74.5 | 169.7 | 175.8 | -133.6 | 8.4 | 111.4 | E375 L376 K382 Q383 | E375-R379 WeakPolarHBondContact O-CB 3.49Å; E375-R379 VanDerWaalsContact O-CG 3.26Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.38Å; E375-R379 IonicContact OE1-CZ 3.56Å; E375-R379 IonicContact OE1-NE 3.37Å; E375-R379 PolarHBondContact OE1-NE 3.06Å; E375-R379 IonicContact OE1-NH2 3.15Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å; L376-R379 PolarHBondContact O-N 3.35Å; R379-K382 PolarHBondContact O-N 3.1Å; R379-Q383 WeakPolarHBondContact O-CG 3.29Å; R379-Q383 PolarHBondContact O-N 2.81Å |
| 380 | Y | 97.6 | Very high | 96 | Very high | 147 Ų | 147 | 113.3 Ų | 113.3 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -49.9 | 175.8 | 174.1 | -102.7 | 0 | 0 | 0 | 112.1 | L376 K382 Q383 M384 | L376-Y380 WeakPolarHBondContact O-CB 3.4Å; L376-Y380 PolarHBondContact O-N 3.46Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.85Å; Y380-Q383 PolarHBondContact O-N 3.02Å; Y380-M384 HydrophobicContact CE2-CE 4.22Å; Y380-M384 PolarHBondContact O-N 3.3Å; Y380-M384 VanDerWaalsContact OH-CE 3.3Å; Y380-M384 WeakPolarHBondContact OH-CE 3.32Å |
| 381 | R | 97.2 | Very high | 96 | Very high | 166 Ų | 166 | 117.1 Ų | 117.1 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 178.3 | -172.6 | 179.5 | -60.1 | 171.6 | 4.5 | 111.4 | S377 Q378 M384 E385 | S377-R381 WeakPolarHBondContact O-CB 3.29Å; S377-R381 PolarHBondContact O-N 2.92Å; Q378-R381 PolarHBondContact O-N 3.28Å; R381-M384 PolarHBondContact O-N 3.5Å; R381-E385 WeakPolarHBondContact CG-OE1 3.26Å; R381-E385 WeakPolarHBondContact O-CG 3.27Å; R381-E385 PolarHBondContact O-N 3.26Å |
| 382 | K | 96.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 114.4 Ų | 114.4 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.1 | -179.3 | 178.2 | 171.4 | -177.4 | 0 | 112.2 | Q378 R379 Y380 M384 E385 E386 | Q378-K382 VanDerWaalsContact O-CB 3.29Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 PolarHBondContact O-N 2.86Å; R379-K382 PolarHBondContact O-N 3.1Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.85Å; K382-M384 VanDerWaalsContact C-N 3.33Å; K382-M384 PolarHBondContact O-N 2.89Å; K382-E385 PolarHBondContact O-N 3.45Å; K382-E386 VanDerWaalsContact CE-CD 3.41Å; K382-E386 WeakPolarHBondContact CE-OE1 3.26Å; K382-E386 HydrophobicContact CG-CG 4.4Å; K382-E386 IonicContact NZ-OE1 2.57Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.04Å; K382-E386 PolarHBondContact O-N 3.09Å |
| 383 | Q | 95.8 | Very high | 96.1 | Very high | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 175.7 | -80 | -174.5 | -40.8 | 0 | 0 | 112 | R379 Y380 E386 M387 | R379-Q383 WeakPolarHBondContact O-CG 3.29Å; R379-Q383 PolarHBondContact O-N 2.81Å; Y380-Q383 PolarHBondContact O-N 3.02Å; Q383-E386 PolarHBondContact O-N 3.33Å; Q383-M387 WeakPolarHBondContact O-CB 3.36Å; Q383-M387 PolarHBondContact O-N 3.23Å |
| 384 | M | 94.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 112.9 Ų | 112.9 | 37% | 0.365 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.1 | -172.2 | 62.3 | 71.3 | 0 | 0 | 111.7 | Y380 R381 K382 M387 Q388 | Y380-M384 HydrophobicContact CE2-CE 4.22Å; Y380-M384 PolarHBondContact O-N 3.3Å; Y380-M384 VanDerWaalsContact OH-CE 3.3Å; Y380-M384 WeakPolarHBondContact OH-CE 3.32Å; R381-M384 PolarHBondContact O-N 3.5Å; K382-M384 VanDerWaalsContact C-N 3.33Å; K382-M384 PolarHBondContact O-N 2.89Å; M384-M387 HydrophobicContact CE-CE 4.27Å; M384-M387 PolarHBondContact O-N 3.28Å; M384-M387 HydrophobicContact SD-CE 3.63Å; M384-Q388 VanDerWaalsContact O-CB 3.31Å; M384-Q388 WeakPolarHBondContact O-CB 3.39Å; M384-Q388 PolarHBondContact O-N 2.95Å |
| 385 | E | 96.6 | Very high | 96.2 | Very high | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 175.6 | -72.4 | 168.9 | -167.3 | 0 | 0 | 112.3 | R381 K382 K389 | R381-E385 WeakPolarHBondContact CG-OE1 3.26Å; R381-E385 WeakPolarHBondContact O-CG 3.27Å; R381-E385 PolarHBondContact O-N 3.26Å; K382-E385 PolarHBondContact O-N 3.45Å; E385-K389 WeakPolarHBondContact O-CB 3.18Å; E385-K389 PolarHBondContact O-N 2.86Å |
| 386 | E | 96.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 109.8 Ų | 109.8 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 176.7 | -73.5 | 177 | 161.9 | 0 | 0 | 111.8 | K382 Q383 K389 A390 | K382-E386 VanDerWaalsContact CE-CD 3.41Å; K382-E386 WeakPolarHBondContact CE-OE1 3.26Å; K382-E386 HydrophobicContact CG-CG 4.4Å; K382-E386 IonicContact NZ-OE1 2.57Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.04Å; K382-E386 PolarHBondContact O-N 3.09Å; Q383-E386 PolarHBondContact O-N 3.33Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.33Å |
| 387 | M | 93.5 | Very high | 96.2 | Very high | 118 Ų | 118 | 112.2 Ų | 112.2 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.6 | -46.8 | 175.5 | -174.1 | 177.3 | 72.7 | 0 | 0 | 111.8 | Q383 M384 K389 A390 F391 | Q383-M387 WeakPolarHBondContact O-CB 3.36Å; Q383-M387 PolarHBondContact O-N 3.23Å; M384-M387 HydrophobicContact CE-CE 4.27Å; M384-M387 PolarHBondContact O-N 3.28Å; M384-M387 HydrophobicContact SD-CE 3.63Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 2.82Å; M387-A390 WeakPolarHBondContact O-CB 3.5Å; M387-A390 PolarHBondContact O-N 3.34Å; M387-F391 WeakPolarHBondContact O-CB 3.23Å; M387-F391 PolarHBondContact O-N 3.49Å |
| 388 | Q | 96.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 115.2 Ų | 115.2 | 42% | 0.416 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 176.3 | -171 | 67.6 | 51.8 | 0 | 0 | 111.3 | M384 F391 N392 | M384-Q388 VanDerWaalsContact O-CB 3.31Å; M384-Q388 WeakPolarHBondContact O-CB 3.39Å; M384-Q388 PolarHBondContact O-N 2.95Å; Q388-F391 PolarHBondContact O-N 2.87Å; Q388-N392 PolarHBondContact NE2-OD1 3.07Å; Q388-N392 WeakPolarHBondContact O-CB 3.35Å; Q388-N392 PolarHBondContact O-N 3.41Å; Q388-N392 PolarHBondContact O-OD1 3.48Å |
| 389 | K | 96.9 | Very high | 96.3 | Very high | 162 Ų | 162 | 114.6 Ų | 114.6 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 175.3 | -172.8 | 172.4 | -174.7 | 171.6 | 0 | 112.2 | E385 E386 M387 K393 | E385-K389 WeakPolarHBondContact O-CB 3.18Å; E385-K389 PolarHBondContact O-N 2.86Å; E386-K389 PolarHBondContact O-N 2.94Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 2.82Å; K389-K393 VanDerWaalsContact O-CB 3.25Å; K389-K393 WeakPolarHBondContact O-CB 3.45Å; K389-K393 PolarHBondContact O-N 3.03Å; K389-K393 VanDerWaalsContact O-N 3.14Å |
| 390 | A | 95.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 111.9 Ų | 111.9 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E386 M387 K393 T394 | E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.33Å; M387-A390 WeakPolarHBondContact O-CB 3.5Å; M387-A390 PolarHBondContact O-N 3.34Å; A390-K393 WeakPolarHBondContact O-CB 3.1Å; A390-K393 PolarHBondContact O-N 2.88Å; A390-T394 PolarHBondContact O-N 3.24Å; A390-T394 PolarHBondContact O-OG1 3.25Å |
| 391 | F | 95.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 109.2 Ų | 109.2 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 178.8 | -174.8 | -111.9 | 0 | 0 | 0 | 112.3 | M387 Q388 K393 T394 I395 | M387-F391 WeakPolarHBondContact O-CB 3.23Å; M387-F391 PolarHBondContact O-N 3.49Å; Q388-F391 PolarHBondContact O-N 2.87Å; F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 2.9Å; F391-T394 CarbonylContact O-C 3.57Å; F391-T394 WeakPolarHBondContact O-CA 3.41Å; F391-T394 WeakPolarHBondContact O-CB 3.42Å; F391-T394 PolarHBondContact O-N 3.31Å; F391-I395 HydrophobicContact CD1-CD1 3.82Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.37Å; F391-I395 HydrophobicContact CE2-CD1 4.47Å; F391-I395 HydrophobicContact CZ-CD1 3.77Å; F391-I395 HydrophobicContact CZ-CG1 4.41Å; F391-I395 PolarHBondContact O-N 3.44Å |
| 392 | N | 96.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 104.9 Ų | 104.9 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 175.2 | -69.8 | 2.8 | 0 | 0 | 0 | 111.6 | Q388 T394 I395 V396 | Q388-N392 PolarHBondContact NE2-OD1 3.07Å; Q388-N392 WeakPolarHBondContact O-CB 3.35Å; Q388-N392 PolarHBondContact O-N 3.41Å; Q388-N392 PolarHBondContact O-OD1 3.48Å; N392-T394 VanDerWaalsContact C-N 3.33Å; N392-T394 PolarHBondContact O-N 2.89Å; N392-I395 PolarHBondContact O-N 3.38Å; N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 3.37Å |
| 393 | K | 97.1 | Very high | 96.1 | Very high | 139 Ų | 139 | 108.3 Ų | 108.3 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 175.1 | -176.6 | 177.4 | -178.9 | 179.1 | 0 | 112.2 | K389 A390 F391 K397 | K389-K393 VanDerWaalsContact O-CB 3.25Å; K389-K393 WeakPolarHBondContact O-CB 3.45Å; K389-K393 PolarHBondContact O-N 3.03Å; K389-K393 VanDerWaalsContact O-N 3.14Å; A390-K393 WeakPolarHBondContact O-CB 3.1Å; A390-K393 PolarHBondContact O-N 2.88Å; F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 2.9Å; K393-K397 WeakPolarHBondContact O-CB 3.27Å; K393-K397 VanDerWaalsContact O-CG 3.31Å; K393-K397 WeakPolarHBondContact O-CG 3.44Å; K393-K397 PolarHBondContact O-N 2.93Å; K393-K397 VanDerWaalsContact O-N 3.1Å |
| 394 | T | 96.3 | Very high | 96 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.2 | -41.7 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | A390 F391 N392 K397 L398 | A390-T394 PolarHBondContact O-N 3.24Å; A390-T394 PolarHBondContact O-OG1 3.25Å; F391-T394 CarbonylContact O-C 3.57Å; F391-T394 WeakPolarHBondContact O-CA 3.41Å; F391-T394 WeakPolarHBondContact O-CB 3.42Å; F391-T394 PolarHBondContact O-N 3.31Å; N392-T394 VanDerWaalsContact C-N 3.33Å; N392-T394 PolarHBondContact O-N 2.89Å; T394-K397 PolarHBondContact O-N 3.22Å; T394-L398 WeakPolarHBondContact O-CB 3.48Å; T394-L398 PolarHBondContact O-N 3.31Å |
| 395 | I | 97 | Very high | 96 | Very high | 62 Ų | 62 | 105 Ų | 105 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.7 | -52.5 | 173.7 | -72.8 | 174 | 0 | 0 | 0 | 110.8 | F391 N392 K397 L398 Q399 | F391-I395 HydrophobicContact CD1-CD1 3.82Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.37Å; F391-I395 HydrophobicContact CE2-CD1 4.47Å; F391-I395 HydrophobicContact CZ-CD1 3.77Å; F391-I395 HydrophobicContact CZ-CG1 4.41Å; F391-I395 PolarHBondContact O-N 3.44Å; N392-I395 PolarHBondContact O-N 3.38Å; I395-K397 VanDerWaalsContact C-N 3.28Å; I395-K397 PolarHBondContact O-N 3.16Å; I395-L398 PolarHBondContact O-N 3.45Å; I395-L398 VanDerWaalsContact O-N 3.09Å; I395-Q399 HydrophobicContact CG2-CG 4.25Å; I395-Q399 WeakPolarHBondContact O-CB 3.3Å; I395-Q399 WeakPolarHBondContact O-CG 3.44Å; I395-Q399 PolarHBondContact O-N 3.02Å |
| 396 | V | 96.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 105.5 Ų | 105.5 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -37.9 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | N392 N400 | N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 3.37Å; V396-N400 WeakPolarHBondContact O-CB 3.3Å; V396-N400 PolarHBondContact O-N 3.48Å |
| 397 | K | 97.3 | Very high | 95.9 | Very high | 134 Ų | 134 | 105 Ų | 105 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 171.1 | -83.4 | -178.3 | 165 | -158.7 | 0 | 112.4 | K393 T394 I395 N400 T401 | K393-K397 WeakPolarHBondContact O-CB 3.27Å; K393-K397 VanDerWaalsContact O-CG 3.31Å; K393-K397 WeakPolarHBondContact O-CG 3.44Å; K393-K397 PolarHBondContact O-N 2.93Å; K393-K397 VanDerWaalsContact O-N 3.1Å; T394-K397 PolarHBondContact O-N 3.22Å; I395-K397 VanDerWaalsContact C-N 3.28Å; I395-K397 PolarHBondContact O-N 3.16Å; K397-N400 PolarHBondContact O-N 3.4Å; K397-T401 PolarHBondContact O-N 2.95Å; K397-T401 PolarHBondContact O-OG1 3.38Å; K397-T401 VanDerWaalsContact O-OG1 3.11Å |
| 398 | L | 96.1 | Very high | 96 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | -177.2 | -169.1 | 70.2 | 0 | 0 | 0 | 111 | T394 I395 T401 S402 | T394-L398 WeakPolarHBondContact O-CB 3.48Å; T394-L398 PolarHBondContact O-N 3.31Å; I395-L398 PolarHBondContact O-N 3.45Å; I395-L398 VanDerWaalsContact O-N 3.09Å; L398-T401 PolarHBondContact O-N 3.24Å; L398-S402 VanDerWaalsContact O-CB 3.25Å; L398-S402 WeakPolarHBondContact O-CB 3.34Å; L398-S402 PolarHBondContact O-N 2.86Å |
| 399 | Q | 95.7 | Very high | 96 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -41 | 173.1 | -71.8 | 175.3 | -28.2 | 0 | 0 | 112.2 | I395 S402 R403 | I395-Q399 HydrophobicContact CG2-CG 4.25Å; I395-Q399 WeakPolarHBondContact O-CB 3.3Å; I395-Q399 WeakPolarHBondContact O-CG 3.44Å; I395-Q399 PolarHBondContact O-N 3.02Å; Q399-S402 PolarHBondContact O-N 3.44Å; Q399-R403 WeakPolarHBondContact O-CB 3.34Å; Q399-R403 PolarHBondContact O-N 2.86Å |
| 400 | N | 96 | Very high | 95.9 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.1 | -175.2 | -99.4 | 0 | 0 | 0 | 111.7 | V396 K397 S402 R403 I404 | V396-N400 WeakPolarHBondContact O-CB 3.3Å; V396-N400 PolarHBondContact O-N 3.48Å; K397-N400 PolarHBondContact O-N 3.4Å; N400-S402 PolarHBondContact O-N 3.08Å; N400-R403 PolarHBondContact O-N 3.32Å; N400-I404 VanDerWaalsContact O-CG1 3.31Å; N400-I404 WeakPolarHBondContact O-CG1 3.46Å; N400-I404 PolarHBondContact O-N 2.83Å; N400-I404 WeakPolarHBondContact OD1-CD1 3.41Å |
| 401 | T | 95.8 | Very high | 95.9 | Very high | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 173.5 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | K397 L398 I404 A405 | K397-T401 PolarHBondContact O-N 2.95Å; K397-T401 PolarHBondContact O-OG1 3.38Å; K397-T401 VanDerWaalsContact O-OG1 3.11Å; L398-T401 PolarHBondContact O-N 3.24Å; T401-I404 PolarHBondContact O-N 3.47Å; T401-A405 WeakPolarHBondContact O-CB 3.27Å; T401-A405 PolarHBondContact O-N 2.89Å |
| 402 | S | 95 | Very high | 95.9 | Very high | 74 Ų | 74 | 103.8 Ų | 103.8 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.6 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | L398 Q399 N400 I404 A405 E406 | L398-S402 VanDerWaalsContact O-CB 3.25Å; L398-S402 WeakPolarHBondContact O-CB 3.34Å; L398-S402 PolarHBondContact O-N 2.86Å; Q399-S402 PolarHBondContact O-N 3.44Å; N400-S402 PolarHBondContact O-N 3.08Å; S402-I404 PolarHBondContact O-N 2.68Å; S402-A405 PolarHBondContact O-N 3.5Å; S402-E406 WeakPolarHBondContact O-CB 3.49Å; S402-E406 PolarHBondContact O-N 3.29Å |
| 403 | R | 96.7 | Very high | 95.8 | Very high | 188 Ų | 188 | 102.9 Ų | 102.9 | 71% | 0.709 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -36.1 | 177.6 | -176.2 | 177.3 | 175.6 | -177.7 | -0.7 | 112.5 | Q399 N400 E407 | Q399-R403 WeakPolarHBondContact O-CB 3.34Å; Q399-R403 PolarHBondContact O-N 2.86Å; N400-R403 PolarHBondContact O-N 3.32Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.4Å |
| 404 | I | 94.8 | Very high | 95.8 | Very high | 83 Ų | 83 | 101.1 Ų | 101.1 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 174.8 | -69.7 | 168.2 | 0 | 0 | 0 | 110.4 | N400 T401 S402 E407 Q408 | N400-I404 VanDerWaalsContact O-CG1 3.31Å; N400-I404 WeakPolarHBondContact O-CG1 3.46Å; N400-I404 PolarHBondContact O-N 2.83Å; N400-I404 WeakPolarHBondContact OD1-CD1 3.41Å; T401-I404 PolarHBondContact O-N 3.47Å; S402-I404 PolarHBondContact O-N 2.68Å; I404-E407 PolarHBondContact O-N 2.95Å; I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 3.13Å |
| 405 | A | 94.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T401 S402 E407 Q408 D409 | T401-A405 WeakPolarHBondContact O-CB 3.27Å; T401-A405 PolarHBondContact O-N 2.89Å; S402-A405 PolarHBondContact O-N 3.5Å; A405-E407 VanDerWaalsContact C-N 3.34Å; A405-E407 PolarHBondContact O-N 3.01Å; A405-Q408 PolarHBondContact O-N 3.46Å; A405-Q408 VanDerWaalsContact O-N 3.13Å; A405-D409 PolarHBondContact O-N 3.3Å |
| 406 | E | 94.4 | Very high | 95.8 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.1 | -43.8 | 172.3 | -178 | -180 | -153.9 | 0 | 0 | 111.8 | S402 Q408 D409 Q410 | S402-E406 WeakPolarHBondContact O-CB 3.49Å; S402-E406 PolarHBondContact O-N 3.29Å; E406-Q408 VanDerWaalsContact C-N 3.32Å; E406-Q408 PolarHBondContact O-N 2.97Å; E406-D409 PolarHBondContact O-N 2.88Å; E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 PolarHBondContact O-N 3.18Å |
| 407 | E | 95.9 | Very high | 95.8 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.4 | -26.2 | 176.2 | -158.4 | -158.7 | -157.2 | 0 | 0 | 113.2 | R403 I404 A405 R411 | R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.4Å; I404-E407 PolarHBondContact O-N 2.95Å; A405-E407 VanDerWaalsContact C-N 3.34Å; A405-E407 PolarHBondContact O-N 3.01Å; E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.7Å; E407-R411 IonicContact OE1-CZ 3.36Å; E407-R411 IonicContact OE1-NH1 2.7Å; E407-R411 IonicContact OE1-NH2 3.18Å; E407-R411 PolarHBondContact OE1-NH2 2.98Å; E407-R411 IonicContact OE2-CZ 2.74Å; E407-R411 IonicContact OE2-NH1 2.77Å; E407-R411 PolarHBondContact OE2-NH1 3.44Å; E407-R411 IonicContact OE2-NH2 3.55Å; E407-R411 PolarHBondContact OE2-NH2 3.49Å |
| 408 | Q | 95.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76 | -40.7 | 171.1 | -69.3 | -59.1 | -50 | 0 | 0 | 111.8 | I404 A405 E406 R411 Q412 | I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 3.13Å; A405-Q408 PolarHBondContact O-N 3.46Å; A405-Q408 VanDerWaalsContact O-N 3.13Å; E406-Q408 VanDerWaalsContact C-N 3.32Å; E406-Q408 PolarHBondContact O-N 2.97Å; Q408-R411 VanDerWaalsContact NE2-NH1 3.2Å; Q408-R411 PolarHBondContact O-N 3.31Å; Q408-Q412 WeakPolarHBondContact O-CG 3.49Å; Q408-Q412 PolarHBondContact O-N 2.94Å |
| 409 | D | 95.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.2 | -166.3 | 60.3 | 0 | 0 | 0 | 111.5 | A405 E406 R411 Q412 T413 | A405-D409 PolarHBondContact O-N 3.3Å; E406-D409 PolarHBondContact O-N 2.88Å; D409-R411 PolarHBondContact O-N 3.29Å; D409-Q412 PolarHBondContact O-N 2.83Å; D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 2.85Å; D409-T413 PolarHBondContact O-OG1 2.78Å |
| 410 | Q | 95.9 | Very high | 95.9 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 171.5 | -177.5 | 60 | 33.5 | 0 | 0 | 112 | E406 Q412 T413 E414 | E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 PolarHBondContact O-N 3.18Å; Q410-Q412 VanDerWaalsContact C-N 3.35Å; Q410-Q412 PolarHBondContact O-N 3.47Å; Q410-T413 WeakPolarHBondContact CA-OG1 3.32Å; Q410-T413 PolarHBondContact O-N 3.36Å; Q410-T413 PolarHBondContact O-OG1 2.77Å; Q410-E414 PolarHBondContact NE2-OE1 2.87Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 VanDerWaalsContact O-CG 3.31Å; Q410-E414 WeakPolarHBondContact O-CG 3.3Å; Q410-E414 PolarHBondContact O-N 3.15Å |
| 411 | R | 95.1 | Very high | 95.9 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.2 | -76.2 | 178.2 | -175.5 | 112.8 | 5 | 112.9 | E407 Q408 D409 A415 | E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.7Å; E407-R411 IonicContact OE1-CZ 3.36Å; E407-R411 IonicContact OE1-NH1 2.7Å; E407-R411 IonicContact OE1-NH2 3.18Å; E407-R411 PolarHBondContact OE1-NH2 2.98Å; E407-R411 IonicContact OE2-CZ 2.74Å; E407-R411 IonicContact OE2-NH1 2.77Å; E407-R411 PolarHBondContact OE2-NH1 3.44Å; E407-R411 IonicContact OE2-NH2 3.55Å; E407-R411 PolarHBondContact OE2-NH2 3.49Å; Q408-R411 VanDerWaalsContact NE2-NH1 3.2Å; Q408-R411 PolarHBondContact O-N 3.31Å; D409-R411 PolarHBondContact O-N 3.29Å; R411-A415 WeakPolarHBondContact O-CB 3.36Å; R411-A415 PolarHBondContact O-N 3.34Å; R411-A415 VanDerWaalsContact O-N 3.08Å |
| 412 | Q | 95.6 | Very high | 96 | Very high | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71 | -43 | 177.8 | -74.1 | -179.9 | 47.5 | 0 | 0 | 111.5 | Q408 D409 Q410 A415 I416 | Q408-Q412 WeakPolarHBondContact O-CG 3.49Å; Q408-Q412 PolarHBondContact O-N 2.94Å; D409-Q412 PolarHBondContact O-N 2.83Å; Q410-Q412 VanDerWaalsContact C-N 3.35Å; Q410-Q412 PolarHBondContact O-N 3.47Å; Q412-A415 PolarHBondContact O-N 3.18Å; Q412-I416 WeakPolarHBondContact O-CB 3.31Å; Q412-I416 WeakPolarHBondContact O-CD1 3.43Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 3.01Å |
| 413 | T | 96 | Very high | 96.1 | Very high | 62 Ų | 62 | 100.9 Ų | 100.9 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | D409 Q410 I416 Q417 | D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 2.85Å; D409-T413 PolarHBondContact O-OG1 2.78Å; Q410-T413 WeakPolarHBondContact CA-OG1 3.32Å; Q410-T413 PolarHBondContact O-N 3.36Å; Q410-T413 PolarHBondContact O-OG1 2.77Å; T413-I416 PolarHBondContact O-N 3.26Å; T413-Q417 WeakPolarHBondContact O-CB 3.44Å; T413-Q417 PolarHBondContact O-N 3.47Å |
| 414 | E | 96.9 | Very high | 96 | Very high | 102 Ų | 102 | 96 Ų | 96 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 170.7 | -77 | 172.8 | -163.7 | 0 | 0 | 112.5 | Q410 Q417 L418 | Q410-E414 PolarHBondContact NE2-OE1 2.87Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 VanDerWaalsContact O-CG 3.31Å; Q410-E414 WeakPolarHBondContact O-CG 3.3Å; Q410-E414 PolarHBondContact O-N 3.15Å; E414-Q417 PolarHBondContact O-N 2.57Å; E414-L418 PolarHBondContact O-N 3.27Å |
| 415 | A | 97 | Very high | 96.1 | Very high | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R411 Q412 L418 L419 | R411-A415 WeakPolarHBondContact O-CB 3.36Å; R411-A415 PolarHBondContact O-N 3.34Å; R411-A415 VanDerWaalsContact O-N 3.08Å; Q412-A415 PolarHBondContact O-N 3.18Å; A415-L418 PolarHBondContact O-N 2.97Å; A415-L419 WeakPolarHBondContact O-CG 3.41Å; A415-L419 PolarHBondContact O-N 3.46Å |
| 416 | I | 96.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.1 | -70.7 | 163.2 | 0 | 0 | 0 | 110.4 | Q412 T413 L418 L419 Q420 | Q412-I416 WeakPolarHBondContact O-CB 3.31Å; Q412-I416 WeakPolarHBondContact O-CD1 3.43Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 3.01Å; T413-I416 PolarHBondContact O-N 3.26Å; I416-L418 PolarHBondContact O-N 3.32Å; I416-L419 PolarHBondContact O-N 2.94Å; I416-Q420 HydrophobicContact CG2-CG 4.38Å; I416-Q420 WeakPolarHBondContact O-CB 3.45Å; I416-Q420 VanDerWaalsContact O-CG 3.31Å; I416-Q420 WeakPolarHBondContact O-CG 3.22Å; I416-Q420 PolarHBondContact O-N 2.95Å |
| 417 | Q | 96.9 | Very high | 96.3 | Very high | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 178.6 | -168.9 | -179.8 | 25.3 | 0 | 0 | 111.7 | T413 E414 Q420 A421 | T413-Q417 WeakPolarHBondContact O-CB 3.44Å; T413-Q417 PolarHBondContact O-N 3.47Å; E414-Q417 PolarHBondContact O-N 2.57Å; Q417-Q420 PolarHBondContact O-N 2.94Å; Q417-A421 WeakPolarHBondContact O-CB 3.28Å; Q417-A421 PolarHBondContact O-N 2.89Å |
| 418 | L | 97.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 173.8 | -171.6 | 158.9 | 0 | 0 | 0 | 111.2 | E414 A415 I416 Q420 A421 Q422 | E414-L418 PolarHBondContact O-N 3.27Å; A415-L418 PolarHBondContact O-N 2.97Å; I416-L418 PolarHBondContact O-N 3.32Å; L418-Q420 PolarHBondContact O-N 2.89Å; L418-A421 PolarHBondContact O-N 3.43Å; L418-Q422 PolarHBondContact O-N 3.13Å |
| 419 | L | 96.9 | Very high | 96.3 | Very high | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 177.2 | -70.9 | 170 | 0 | 0 | 0 | 112.3 | A415 I416 Q422 L423 | A415-L419 WeakPolarHBondContact O-CG 3.41Å; A415-L419 PolarHBondContact O-N 3.46Å; I416-L419 PolarHBondContact O-N 2.94Å; L419-Q422 PolarHBondContact O-N 3.37Å; L419-L423 VanDerWaalsContact O-CB 3.3Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 2.85Å |
| 420 | Q | 96.8 | Very high | 96.4 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 172.5 | -72.7 | 174.2 | -2 | 0 | 0 | 112.1 | I416 Q417 L418 L423 T424 | I416-Q420 HydrophobicContact CG2-CG 4.38Å; I416-Q420 WeakPolarHBondContact O-CB 3.45Å; I416-Q420 VanDerWaalsContact O-CG 3.31Å; I416-Q420 WeakPolarHBondContact O-CG 3.22Å; I416-Q420 PolarHBondContact O-N 2.95Å; Q417-Q420 PolarHBondContact O-N 2.94Å; L418-Q420 PolarHBondContact O-N 2.89Å; Q420-L423 PolarHBondContact O-N 2.85Å; Q420-T424 WeakPolarHBondContact O-CB 3.31Å; Q420-T424 WeakPolarHBondContact O-CG2 3.35Å; Q420-T424 PolarHBondContact O-N 3.36Å; Q420-T424 PolarHBondContact O-OG1 3Å |
| 421 | A | 96.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q417 L418 T424 N425 | Q417-A421 WeakPolarHBondContact O-CB 3.28Å; Q417-A421 PolarHBondContact O-N 2.89Å; L418-A421 PolarHBondContact O-N 3.43Å; A421-T424 WeakPolarHBondContact CA-OG1 3.34Å; A421-T424 PolarHBondContact O-OG1 3.11Å; A421-T424 VanDerWaalsContact O-OG1 3.07Å; A421-N425 VanDerWaalsContact O-CB 3.27Å; A421-N425 WeakPolarHBondContact O-CB 3.38Å; A421-N425 PolarHBondContact O-N 2.88Å |
| 422 | Q | 96.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 173.7 | -177.9 | 179.4 | -16.9 | 0 | 0 | 111.5 | L418 L419 N425 M426 | L418-Q422 PolarHBondContact O-N 3.13Å; L419-Q422 PolarHBondContact O-N 3.37Å; Q422-N425 PolarHBondContact O-N 3.32Å; Q422-M426 HydrophobicContact CG-SD 4.5Å; Q422-M426 WeakPolarHBondContact O-CB 3.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.41Å; Q422-M426 PolarHBondContact O-N 2.96Å |
| 423 | L | 96.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | -179.9 | -174 | 139.3 | 0 | 0 | 0 | 111.4 | L419 Q420 M426 T427 | L419-L423 VanDerWaalsContact O-CB 3.3Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 2.85Å; Q420-L423 PolarHBondContact O-N 2.85Å; L423-M426 PolarHBondContact O-N 3.46Å; L423-T427 WeakPolarHBondContact O-CB 3.33Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 2.75Å |
| 424 | T | 95.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174.8 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | Q420 A421 T427 Q428 | Q420-T424 WeakPolarHBondContact O-CB 3.31Å; Q420-T424 WeakPolarHBondContact O-CG2 3.35Å; Q420-T424 PolarHBondContact O-N 3.36Å; Q420-T424 PolarHBondContact O-OG1 3Å; A421-T424 WeakPolarHBondContact CA-OG1 3.34Å; A421-T424 PolarHBondContact O-OG1 3.11Å; A421-T424 VanDerWaalsContact O-OG1 3.07Å; T424-T427 PolarHBondContact O-N 2.59Å; T424-Q428 WeakPolarHBondContact O-CB 3.4Å; T424-Q428 PolarHBondContact O-N 3.48Å |
| 425 | N | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 93.3 Ų | 93.3 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.3 | -173.3 | -90.6 | 0 | 0 | 0 | 112.3 | A421 Q422 Q428 L429 | A421-N425 VanDerWaalsContact O-CB 3.27Å; A421-N425 WeakPolarHBondContact O-CB 3.38Å; A421-N425 PolarHBondContact O-N 2.88Å; Q422-N425 PolarHBondContact O-N 3.32Å; N425-Q428 PolarHBondContact O-N 3.23Å; N425-L429 PolarHBondContact O-N 2.91Å |
| 426 | M | 96.3 | Very high | 96 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 174.6 | -76.7 | -169.9 | 161.1 | 0 | 0 | 112.3 | Q422 L423 Q428 L429 V430 | Q422-M426 HydrophobicContact CG-SD 4.5Å; Q422-M426 WeakPolarHBondContact O-CB 3.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.41Å; Q422-M426 PolarHBondContact O-N 2.96Å; L423-M426 PolarHBondContact O-N 3.46Å; M426-Q428 VanDerWaalsContact C-N 3.34Å; M426-Q428 PolarHBondContact O-N 3.44Å; M426-L429 PolarHBondContact O-N 2.89Å; M426-V430 WeakPolarHBondContact O-CB 3.46Å; M426-V430 VanDerWaalsContact O-CG2 3.3Å; M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.83Å |
| 427 | T | 96.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 92.8 Ų | 92.8 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 173.4 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | L423 T424 V430 S431 | L423-T427 WeakPolarHBondContact O-CB 3.33Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 2.75Å; T424-T427 PolarHBondContact O-N 2.59Å; T427-V430 PolarHBondContact O-N 3.33Å; T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 2.97Å; T427-S431 PolarHBondContact O-OG 3.38Å |
| 428 | Q | 96 | Very high | 95.7 | Very high | 133 Ų | 133 | 88.3 Ų | 88.3 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 174.5 | -173.1 | -178.4 | 4.2 | 0 | 0 | 112.2 | T424 N425 M426 S431 N432 | T424-Q428 WeakPolarHBondContact O-CB 3.4Å; T424-Q428 PolarHBondContact O-N 3.48Å; N425-Q428 PolarHBondContact O-N 3.23Å; M426-Q428 VanDerWaalsContact C-N 3.34Å; M426-Q428 PolarHBondContact O-N 3.44Å; Q428-S431 PolarHBondContact O-N 2.83Å; Q428-S431 PolarHBondContact O-OG 3.28Å; Q428-S431 VanDerWaalsContact O-OG 3.09Å; Q428-N432 WeakPolarHBondContact O-CB 3.35Å; Q428-N432 PolarHBondContact O-N 3.48Å |
| 429 | L | 96.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 89.3 Ų | 89.3 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 173 | -179.6 | 60.6 | 0 | 0 | 0 | 111.1 | N425 M426 N432 L433 | N425-L429 PolarHBondContact O-N 2.91Å; M426-L429 PolarHBondContact O-N 2.89Å; L429-N432 PolarHBondContact O-N 3.35Å; L429-L433 HydrophobicContact CD1-CD1 4.12Å; L429-L433 HydrophobicContact CD1-CG 4.29Å; L429-L433 HydrophobicContact CG-CD1 4.01Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.19Å; L429-L433 PolarHBondContact O-N 3.1Å |
| 430 | V | 96.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 88.9 Ų | 88.9 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.6 | -35.7 | 177.5 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | M426 T427 S434 | M426-V430 WeakPolarHBondContact O-CB 3.46Å; M426-V430 VanDerWaalsContact O-CG2 3.3Å; M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.83Å; T427-V430 PolarHBondContact O-N 3.33Å; V430-S434 VanDerWaalsContact O-CB 3.3Å; V430-S434 WeakPolarHBondContact O-CB 3.31Å; V430-S434 PolarHBondContact O-N 2.98Å; V430-S434 PolarHBondContact O-OG 3.46Å |
| 431 | S | 94.7 | Very high | 95 | Very high | 62 Ų | 62 | 90.3 Ų | 90.3 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -34.7 | 176.5 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | T427 Q428 S434 A435 | T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 2.97Å; T427-S431 PolarHBondContact O-OG 3.38Å; Q428-S431 PolarHBondContact O-N 2.83Å; Q428-S431 PolarHBondContact O-OG 3.28Å; Q428-S431 VanDerWaalsContact O-OG 3.09Å; S431-S434 PolarHBondContact O-N 3.07Å; S431-S434 PolarHBondContact O-OG 2.98Å; S431-S434 VanDerWaalsContact O-OG 3.1Å; S431-A435 WeakPolarHBondContact O-CB 3.39Å; S431-A435 PolarHBondContact O-N 3.39Å |
| 432 | N | 96.2 | Very high | 94.8 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 170.7 | -171.9 | -6.2 | 0 | 0 | 0 | 111.3 | Q428 L429 S434 A435 T436 | Q428-N432 WeakPolarHBondContact O-CB 3.35Å; Q428-N432 PolarHBondContact O-N 3.48Å; L429-N432 PolarHBondContact O-N 3.35Å; N432-S434 VanDerWaalsContact C-N 3.35Å; N432-S434 PolarHBondContact O-N 3.15Å; N432-A435 PolarHBondContact O-N 3.49Å; N432-T436 PolarHBondContact O-N 3.28Å; N432-T436 PolarHBondContact O-OG1 3.14Å; N432-T436 VanDerWaalsContact O-OG1 3.06Å |
| 433 | L | 94.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 95.9 Ų | 95.9 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 174.4 | -71.3 | 173.4 | 0 | 0 | 0 | 112.4 | L429 T436 V437 | L429-L433 HydrophobicContact CD1-CD1 4.12Å; L429-L433 HydrophobicContact CD1-CG 4.29Å; L429-L433 HydrophobicContact CG-CD1 4.01Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.19Å; L429-L433 PolarHBondContact O-N 3.1Å; L433-T436 WeakPolarHBondContact CA-OG1 3.48Å; L433-T436 PolarHBondContact O-OG1 2.85Å; L433-V437 VanDerWaalsContact O-CB 3.28Å; L433-V437 WeakPolarHBondContact O-CB 3.25Å; L433-V437 WeakPolarHBondContact O-CG2 3.39Å; L433-V437 PolarHBondContact O-N 3.09Å |
| 434 | S | 95.2 | Very high | 94.3 | Very high | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72 | -33.8 | 175.8 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | V430 S431 N432 A438 | V430-S434 VanDerWaalsContact O-CB 3.3Å; V430-S434 WeakPolarHBondContact O-CB 3.31Å; V430-S434 PolarHBondContact O-N 2.98Å; V430-S434 PolarHBondContact O-OG 3.46Å; S431-S434 PolarHBondContact O-N 3.07Å; S431-S434 PolarHBondContact O-OG 2.98Å; S431-S434 VanDerWaalsContact O-OG 3.1Å; N432-S434 VanDerWaalsContact C-N 3.35Å; N432-S434 PolarHBondContact O-N 3.15Å; S434-A438 VanDerWaalsContact O-CB 3.27Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.39Å |
| 435 | A | 94.3 | Very high | 94 | Very high | 57 Ų | 57 | 93 Ų | 93 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S431 N432 V437 A438 E439 | S431-A435 WeakPolarHBondContact O-CB 3.39Å; S431-A435 PolarHBondContact O-N 3.39Å; N432-A435 PolarHBondContact O-N 3.49Å; A435-V437 VanDerWaalsContact C-N 3.34Å; A435-V437 PolarHBondContact O-N 3.33Å; A435-A438 CarbonylContact O-C 3.58Å; A435-A438 WeakPolarHBondContact O-CA 3.25Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 2.82Å; A435-E439 PolarHBondContact O-N 2.9Å |
| 436 | T | 93.5 | Very high | 93.8 | Very high | 52 Ų | 52 | 91.8 Ų | 91.8 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 175.8 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | N432 L433 E439 L440 | N432-T436 PolarHBondContact O-N 3.28Å; N432-T436 PolarHBondContact O-OG1 3.14Å; N432-T436 VanDerWaalsContact O-OG1 3.06Å; L433-T436 WeakPolarHBondContact CA-OG1 3.48Å; L433-T436 PolarHBondContact O-OG1 2.85Å; T436-E439 PolarHBondContact O-N 3.18Å; T436-L440 WeakPolarHBondContact O-CB 3.5Å; T436-L440 WeakPolarHBondContact O-CD1 3.47Å; T436-L440 VanDerWaalsContact O-CG 3.31Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 2.94Å |
| 437 | V | 94.5 | Very high | 93.6 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 170.7 | 167.4 | 0 | 0 | 0 | 0 | 111.5 | L433 A435 K441 | L433-V437 VanDerWaalsContact O-CB 3.28Å; L433-V437 WeakPolarHBondContact O-CB 3.25Å; L433-V437 WeakPolarHBondContact O-CG2 3.39Å; L433-V437 PolarHBondContact O-N 3.09Å; A435-V437 VanDerWaalsContact C-N 3.34Å; A435-V437 PolarHBondContact O-N 3.33Å; V437-K441 HydrophobicContact CG1-CG 4.19Å; V437-K441 VanDerWaalsContact O-CB 3.23Å; V437-K441 WeakPolarHBondContact O-CB 3.33Å; V437-K441 WeakPolarHBondContact O-CG 3.22Å; V437-K441 PolarHBondContact O-N 2.86Å |
| 438 | A | 92.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 95.2 Ų | 95.2 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -33.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S434 A435 R442 | S434-A438 VanDerWaalsContact O-CB 3.27Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.39Å; A435-A438 CarbonylContact O-C 3.58Å; A435-A438 WeakPolarHBondContact O-CA 3.25Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 2.82Å; A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 2.85Å |
| 439 | E | 92.9 | Very high | 93.1 | Very high | 136 Ų | 136 | 91.4 Ų | 91.4 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.4 | -52.6 | 171.2 | -176 | 174.9 | -157.4 | 0 | 0 | 111.2 | A435 T436 K441 R442 E443 | A435-E439 PolarHBondContact O-N 2.9Å; T436-E439 PolarHBondContact O-N 3.18Å; E439-K441 PolarHBondContact O-N 3.33Å; E439-R442 CarbonylContact O-C 3.57Å; E439-R442 WeakPolarHBondContact O-CA 3.36Å; E439-R442 WeakPolarHBondContact O-CB 2.8Å; E439-R442 PolarHBondContact O-N 3.04Å; E439-E443 PolarHBondContact O-N 2.85Å |
| 440 | L | 91.8 | Very high | 93 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 173.8 | -74.3 | 163.6 | 0 | 0 | 0 | 112.1 | T436 E443 V444 | T436-L440 WeakPolarHBondContact O-CB 3.5Å; T436-L440 WeakPolarHBondContact O-CD1 3.47Å; T436-L440 VanDerWaalsContact O-CG 3.31Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 2.94Å; L440-E443 PolarHBondContact O-N 3.15Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.31Å; L440-V444 PolarHBondContact O-N 3.33Å |
| 441 | K | 90.8 | Very high | 92.9 | Very high | 149 Ų | 149 | 95.3 Ų | 95.3 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 173.9 | -75.3 | -81.8 | -178 | 172 | 0 | 111.9 | V437 E439 S445 | V437-K441 HydrophobicContact CG1-CG 4.19Å; V437-K441 VanDerWaalsContact O-CB 3.23Å; V437-K441 WeakPolarHBondContact O-CB 3.33Å; V437-K441 WeakPolarHBondContact O-CG 3.22Å; V437-K441 PolarHBondContact O-N 2.86Å; E439-K441 PolarHBondContact O-N 3.33Å; K441-S445 WeakPolarHBondContact O-CB 3.48Å; K441-S445 PolarHBondContact O-N 2.88Å |
| 442 | R | 91 | Very high | 93 | Very high | 185 Ų | 185 | 96.7 Ų | 96.7 | 70% | 0.698 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -49 | 172.4 | -79.7 | -175.9 | 173.3 | 91.5 | -4.4 | 111.1 | A438 E439 V444 S445 D446 | A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 2.85Å; E439-R442 CarbonylContact O-C 3.57Å; E439-R442 WeakPolarHBondContact O-CA 3.36Å; E439-R442 WeakPolarHBondContact O-CB 2.8Å; E439-R442 PolarHBondContact O-N 3.04Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 PolarHBondContact O-N 3.47Å; R442-S445 PolarHBondContact O-N 3.34Å; R442-S445 VanDerWaalsContact O-N 3.17Å; R442-D446 VanDerWaalsContact O-CB 3.29Å; R442-D446 WeakPolarHBondContact O-CB 3.38Å; R442-D446 PolarHBondContact O-N 3.45Å |
| 443 | E | 92.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 96.3 Ų | 96.3 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -179 | -159.5 | -152.3 | -166.7 | 0 | 0 | 112.4 | E439 L440 R447 | E439-E443 PolarHBondContact O-N 2.85Å; L440-E443 PolarHBondContact O-N 3.15Å; E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 2.83Å; E443-R447 VanDerWaalsContact O-N 3.14Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 2.99Å; E443-R447 PolarHBondContact OE1-NH1 3.44Å; E443-R447 IonicContact OE1-NH2 2.66Å; E443-R447 PolarHBondContact OE1-NH2 2.85Å; E443-R447 IonicContact OE2-CZ 3.77Å; E443-R447 IonicContact OE2-NH1 2.81Å; E443-R447 PolarHBondContact OE2-NH1 2.92Å; E443-R447 IonicContact OE2-NH2 3.94Å |
| 444 | V | 90.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.2 | -40.7 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | L440 R442 D446 Q448 | L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.31Å; L440-V444 PolarHBondContact O-N 3.33Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 PolarHBondContact O-N 3.47Å; V444-D446 VanDerWaalsContact C-N 3.33Å; V444-Q448 WeakPolarHBondContact O-CB 3.29Å; V444-Q448 VanDerWaalsContact O-CG 3.3Å; V444-Q448 WeakPolarHBondContact O-CG 3.37Å; V444-Q448 PolarHBondContact O-N 2.9Å |
| 445 | S | 90.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | K441 R442 Q448 S449 | K441-S445 WeakPolarHBondContact O-CB 3.48Å; K441-S445 PolarHBondContact O-N 2.88Å; R442-S445 PolarHBondContact O-N 3.34Å; R442-S445 VanDerWaalsContact O-N 3.17Å; S445-Q448 CarbonylContact O-C 3.59Å; S445-Q448 PolarHBondContact O-N 3.44Å; S445-S449 WeakPolarHBondContact O-CB 3.19Å; S445-S449 PolarHBondContact O-N 3.41Å |
| 446 | D | 92.8 | Very high | 93 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 178.8 | -172.2 | 47.4 | 0 | 0 | 0 | 111.6 | R442 V444 Q448 S449 Y450 | R442-D446 VanDerWaalsContact O-CB 3.29Å; R442-D446 WeakPolarHBondContact O-CB 3.38Å; R442-D446 PolarHBondContact O-N 3.45Å; V444-D446 VanDerWaalsContact C-N 3.33Å; D446-Q448 VanDerWaalsContact C-N 3.27Å; D446-Q448 PolarHBondContact O-N 2.85Å; D446-S449 WeakPolarHBondContact O-CB 3.3Å; D446-S449 PolarHBondContact O-N 2.93Å; D446-S449 VanDerWaalsContact O-N 3.09Å; D446-Y450 VanDerWaalsContact O-CD2 3.26Å; D446-Y450 WeakPolarHBondContact O-CD2 3.33Å; D446-Y450 PolarHBondContact O-N 3.22Å; D446-Y450 VanDerWaalsContact OD2-CE2 3.28Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.26Å |
| 447 | R | 91.9 | Very high | 93.1 | Very high | 140 Ų | 140 | 100.5 Ų | 100.5 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 170.1 | -73.2 | -176 | -177.9 | 117.1 | 8.5 | 113 | E443 L451 | E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 2.83Å; E443-R447 VanDerWaalsContact O-N 3.14Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 2.99Å; E443-R447 PolarHBondContact OE1-NH1 3.44Å; E443-R447 IonicContact OE1-NH2 2.66Å; E443-R447 PolarHBondContact OE1-NH2 2.85Å; E443-R447 IonicContact OE2-CZ 3.77Å; E443-R447 IonicContact OE2-NH1 2.81Å; E443-R447 PolarHBondContact OE2-NH1 2.92Å; E443-R447 IonicContact OE2-NH2 3.94Å; R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.4Å |
| 448 | Q | 90.2 | Very high | 93.1 | Very high | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.5 | -38.9 | 174 | -72.8 | 177.2 | 14.8 | 0 | 0 | 111.9 | V444 S445 D446 L451 V452 | V444-Q448 WeakPolarHBondContact O-CB 3.29Å; V444-Q448 VanDerWaalsContact O-CG 3.3Å; V444-Q448 WeakPolarHBondContact O-CG 3.37Å; V444-Q448 PolarHBondContact O-N 2.9Å; S445-Q448 CarbonylContact O-C 3.59Å; S445-Q448 PolarHBondContact O-N 3.44Å; D446-Q448 VanDerWaalsContact C-N 3.27Å; D446-Q448 PolarHBondContact O-N 2.85Å; Q448-L451 PolarHBondContact O-N 3.26Å; Q448-V452 WeakPolarHBondContact O-CG2 3.46Å; Q448-V452 PolarHBondContact O-N 2.92Å |
| 449 | S | 91.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 103 Ų | 103 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -51.7 | 174.7 | -173 | 0 | 0 | 0 | 0 | 111.2 | S445 D446 L451 V452 I453 | S445-S449 WeakPolarHBondContact O-CB 3.19Å; S445-S449 PolarHBondContact O-N 3.41Å; D446-S449 WeakPolarHBondContact O-CB 3.3Å; D446-S449 PolarHBondContact O-N 2.93Å; D446-S449 VanDerWaalsContact O-N 3.09Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 2.98Å; S449-V452 PolarHBondContact O-N 2.66Å; S449-V452 VanDerWaalsContact O-N 3.11Å; S449-I453 WeakPolarHBondContact O-CB 3.49Å; S449-I453 VanDerWaalsContact O-CG1 3.29Å; S449-I453 WeakPolarHBondContact O-CG1 3.4Å; S449-I453 PolarHBondContact O-N 3.45Å |
| 450 | Y | 94.4 | Very high | 93.5 | Very high | 152 Ų | 152 | 100.2 Ų | 100.2 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.3 | -39.3 | 175.5 | -76.4 | -58.6 | 0 | 0 | 0 | 113 | D446 S454 | D446-Y450 VanDerWaalsContact O-CD2 3.26Å; D446-Y450 WeakPolarHBondContact O-CD2 3.33Å; D446-Y450 PolarHBondContact O-N 3.22Å; D446-Y450 VanDerWaalsContact OD2-CE2 3.28Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.26Å; Y450-S454 WeakPolarHBondContact O-CB 3.4Å; Y450-S454 PolarHBondContact O-N 3.49Å; Y450-S454 PolarHBondContact O-OG 3.49Å |
| 451 | L | 94.1 | Very high | 93.7 | Very high | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 175.5 | -73.1 | 171.9 | 0 | 0 | 0 | 112 | R447 Q448 S449 S454 L455 | R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.4Å; Q448-L451 PolarHBondContact O-N 3.26Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 2.98Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.49Å; L451-L455 PolarHBondContact O-N 3.2Å |
| 452 | V | 95.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 94.6 Ų | 94.6 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | Q448 S449 S454 L455 V456 | Q448-V452 WeakPolarHBondContact O-CG2 3.46Å; Q448-V452 PolarHBondContact O-N 2.92Å; S449-V452 PolarHBondContact O-N 2.66Å; S449-V452 VanDerWaalsContact O-N 3.11Å; V452-S454 VanDerWaalsContact C-N 3.32Å; V452-S454 PolarHBondContact O-N 3.37Å; V452-L455 WeakPolarHBondContact O-CB 3.26Å; V452-L455 PolarHBondContact O-N 2.92Å; V452-V456 WeakPolarHBondContact O-CG2 3.38Å; V452-V456 PolarHBondContact O-N 2.74Å |
| 453 | I | 94.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 91 Ų | 91 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 175.8 | -67.2 | 163.6 | 0 | 0 | 0 | 110.3 | S449 L455 V456 L457 | S449-I453 WeakPolarHBondContact O-CB 3.49Å; S449-I453 VanDerWaalsContact O-CG1 3.29Å; S449-I453 WeakPolarHBondContact O-CG1 3.4Å; S449-I453 PolarHBondContact O-N 3.45Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.41Å; I453-V456 PolarHBondContact O-N 2.94Å; I453-L457 WeakPolarHBondContact O-CB 3.44Å; I453-L457 PolarHBondContact O-N 2.82Å |
| 454 | S | 93.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 92.8 Ų | 92.8 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.1 | 77.7 | 0 | 0 | 0 | 0 | 112.6 | Y450 L451 V452 L457 C458 | Y450-S454 WeakPolarHBondContact O-CB 3.4Å; Y450-S454 PolarHBondContact O-N 3.49Å; Y450-S454 PolarHBondContact O-OG 3.49Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.49Å; V452-S454 VanDerWaalsContact C-N 3.32Å; V452-S454 PolarHBondContact O-N 3.37Å; S454-L457 PolarHBondContact O-N 3.28Å; S454-C458 WeakPolarHBondContact O-CB 3.44Å; S454-C458 PolarHBondContact O-N 2.95Å; S454-C458 PolarHBondContact O-SG 3.38Å |
| 455 | L | 96.1 | Very high | 94.2 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -45.9 | 177.1 | -179.8 | 65.5 | 0 | 0 | 0 | 111.5 | L451 V452 I453 L457 C458 V459 | L451-L455 PolarHBondContact O-N 3.2Å; V452-L455 WeakPolarHBondContact O-CB 3.26Å; V452-L455 PolarHBondContact O-N 2.92Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.41Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 3.48Å; L455-C458 PolarHBondContact O-N 2.95Å; L455-V459 WeakPolarHBondContact O-CG2 3.42Å; L455-V459 PolarHBondContact O-N 2.91Å |
| 456 | V | 96.6 | Very high | 94.3 | Very high | 85 Ų | 85 | 94.9 Ų | 94.9 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | V452 I453 C458 V459 V460 | V452-V456 WeakPolarHBondContact O-CG2 3.38Å; V452-V456 PolarHBondContact O-N 2.74Å; I453-V456 PolarHBondContact O-N 2.94Å; V456-C458 PolarHBondContact O-N 2.9Å; V456-V459 PolarHBondContact O-N 3.48Å; V456-V459 VanDerWaalsContact O-N 3.12Å; V456-V460 HydrophobicContact CG1-CG2 4.48Å; V456-V460 WeakPolarHBondContact O-CG2 3.31Å; V456-V460 PolarHBondContact O-N 3.41Å |
| 457 | L | 95.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.5 | -169.6 | 145.7 | 0 | 0 | 0 | 112 | I453 S454 L455 V460 L461 | I453-L457 WeakPolarHBondContact O-CB 3.44Å; I453-L457 PolarHBondContact O-N 2.82Å; S454-L457 PolarHBondContact O-N 3.28Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 3.48Å; L457-V460 PolarHBondContact O-N 3.22Å; L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.18Å; L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 WeakPolarHBondContact O-CG 3.17Å; L457-L461 PolarHBondContact O-N 3.18Å |
| 458 | C | 96.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 96 Ų | 96 | 57% | 0.568 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 170.8 | -74.2 | 0 | 0 | 0 | 0 | 113 | S454 L455 V456 G462 | S454-C458 WeakPolarHBondContact O-CB 3.44Å; S454-C458 PolarHBondContact O-N 2.95Å; S454-C458 PolarHBondContact O-SG 3.38Å; L455-C458 PolarHBondContact O-N 2.95Å; V456-C458 PolarHBondContact O-N 2.9Å; C458-G462 PolarHBondContact O-N 2.99Å |
| 459 | V | 96.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111 | L455 V456 G462 L463 | L455-V459 WeakPolarHBondContact O-CG2 3.42Å; L455-V459 PolarHBondContact O-N 2.91Å; V456-V459 PolarHBondContact O-N 3.48Å; V456-V459 VanDerWaalsContact O-N 3.12Å; V459-G462 PolarHBondContact O-N 3.35Å; V459-L463 HydrophobicContact CG1-CD1 4.09Å; V459-L463 HydrophobicContact CG1-CG 4.44Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3.22Å |
| 460 | V | 96.2 | Very high | 93.4 | Very high | 78 Ų | 78 | 101 Ų | 101 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V456 L457 G462 L463 M464 | V456-V460 HydrophobicContact CG1-CG2 4.48Å; V456-V460 WeakPolarHBondContact O-CG2 3.31Å; V456-V460 PolarHBondContact O-N 3.41Å; L457-V460 PolarHBondContact O-N 3.22Å; V460-G462 VanDerWaalsContact C-N 3.32Å; V460-G462 PolarHBondContact O-N 3.43Å; V460-L463 PolarHBondContact O-N 3.04Å; V460-M464 HydrophobicContact CG1-CG 4.42Å; V460-M464 WeakPolarHBondContact O-CB 3.11Å; V460-M464 VanDerWaalsContact O-CG 3.29Å; V460-M464 WeakPolarHBondContact O-CG 3.31Å; V460-M464 PolarHBondContact O-N 3.12Å |
| 461 | L | 95.6 | Very high | 92.6 | Very high | 98 Ų | 98 | 102.9 Ų | 102.9 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 174.5 | -71.6 | 177.8 | 0 | 0 | 0 | 112.1 | L457 M464 L465 | L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.18Å; L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 WeakPolarHBondContact O-CG 3.17Å; L457-L461 PolarHBondContact O-N 3.18Å; L461-M464 PolarHBondContact O-N 3.49Å; L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.43Å |
| 462 | G | 95.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 102 Ų | 102 | 32% | 0.32 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C458 V459 V460 L465 C466 | C458-G462 PolarHBondContact O-N 2.99Å; V459-G462 PolarHBondContact O-N 3.35Å; V460-G462 VanDerWaalsContact C-N 3.32Å; V460-G462 PolarHBondContact O-N 3.43Å; G462-L465 PolarHBondContact O-N 3.47Å; G462-C466 WeakPolarHBondContact O-CB 3.33Å; G462-C466 PolarHBondContact O-N 2.93Å; G462-C466 PolarHBondContact O-SG 2.87Å; G462-C466 VanDerWaalsContact O-SG 3.37Å |
| 463 | L | 94.6 | Very high | 89.3 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 176.2 | -70.5 | 171.9 | 0 | 0 | 0 | 111.9 | V459 V460 L465 C466 M467 | V459-L463 HydrophobicContact CG1-CD1 4.09Å; V459-L463 HydrophobicContact CG1-CG 4.44Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3.22Å; V460-L463 PolarHBondContact O-N 3.04Å; L463-L465 VanDerWaalsContact C-N 3.35Å; L463-L465 PolarHBondContact O-N 2.77Å; L463-C466 PolarHBondContact O-N 2.78Å; L463-M467 WeakPolarHBondContact O-CB 3.49Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 3.32Å |
| 464 | M | 93.3 | Very high | 87.3 | Confident | 125 Ų | 125 | 101.7 Ų | 101.7 | 62% | 0.616 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 176.1 | -71.5 | -63.6 | -72.7 | 0 | 0 | 111.9 | V460 L461 M467 Q468 | V460-M464 HydrophobicContact CG1-CG 4.42Å; V460-M464 WeakPolarHBondContact O-CB 3.11Å; V460-M464 VanDerWaalsContact O-CG 3.29Å; V460-M464 WeakPolarHBondContact O-CG 3.31Å; V460-M464 PolarHBondContact O-N 3.12Å; L461-M464 PolarHBondContact O-N 3.49Å; M464-M467 PolarHBondContact O-N 2.95Å; M464-Q468 VanDerWaalsContact O-CB 3.26Å; M464-Q468 WeakPolarHBondContact O-CB 3.26Å; M464-Q468 PolarHBondContact O-N 3.15Å |
| 465 | L | 93.6 | Very high | 85.4 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 174.1 | -73.3 | 170.7 | 0 | 0 | 0 | 112.4 | L461 G462 L463 R469 | L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.43Å; G462-L465 PolarHBondContact O-N 3.47Å; L463-L465 VanDerWaalsContact C-N 3.35Å; L463-L465 PolarHBondContact O-N 2.77Å; L465-R469 WeakPolarHBondContact O-CB 3.28Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 2.74Å |
| 466 | C | 92.5 | Very high | 83.2 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 53% | 0.527 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -49.1 | 172 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | G462 L463 Q468 R469 C470 | G462-C466 WeakPolarHBondContact O-CB 3.33Å; G462-C466 PolarHBondContact O-N 2.93Å; G462-C466 PolarHBondContact O-SG 2.87Å; G462-C466 VanDerWaalsContact O-SG 3.37Å; L463-C466 PolarHBondContact O-N 2.78Å; C466-Q468 VanDerWaalsContact C-N 3.34Å; C466-Q468 PolarHBondContact O-N 3.43Å; C466-R469 WeakPolarHBondContact O-CB 3.39Å; C466-R469 PolarHBondContact O-N 3.02Å; C466-C470 PolarHBondContact O-N 3.5Å; C466-C470 PolarHBondContact O-SG 3.41Å |
| 467 | M | 90.1 | Very high | 81.2 | Confident | 132 Ų | 132 | 114.9 Ų | 114.9 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 177.1 | -68.7 | -60.1 | -72.8 | 0 | 0 | 111.8 | L463 M464 C470 R471 | L463-M467 WeakPolarHBondContact O-CB 3.49Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 3.32Å; M464-M467 PolarHBondContact O-N 2.95Å; M467-C470 PolarHBondContact O-N 3.34Å; M467-R471 VanDerWaalsContact O-CB 3.25Å; M467-R471 WeakPolarHBondContact O-CB 3.3Å; M467-R471 PolarHBondContact O-N 2.88Å |
| 468 | Q | 90.3 | Very high | 79.1 | Confident | 108 Ų | 108 | 112.8 Ų | 112.8 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -36.4 | 174.6 | -168.8 | 174.9 | 21.5 | 0 | 0 | 112 | M464 C466 N472 | M464-Q468 VanDerWaalsContact O-CB 3.26Å; M464-Q468 WeakPolarHBondContact O-CB 3.26Å; M464-Q468 PolarHBondContact O-N 3.15Å; C466-Q468 VanDerWaalsContact C-N 3.34Å; C466-Q468 PolarHBondContact O-N 3.43Å; Q468-N472 WeakPolarHBondContact O-CB 3.43Å; Q468-N472 PolarHBondContact O-N 3.35Å; Q468-N472 PolarHBondContact O-OD1 3.47Å |
| 469 | R | 85.4 | Confident | 76.9 | Confident | 198 Ų | 198 | 115.8 Ų | 115.8 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.8 | -53.7 | 171.4 | -75.8 | -79.1 | -179.1 | 134.9 | 0.7 | 110.7 | L465 C466 R471 N472 T473 | L465-R469 WeakPolarHBondContact O-CB 3.28Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 2.74Å; C466-R469 WeakPolarHBondContact O-CB 3.39Å; C466-R469 PolarHBondContact O-N 3.02Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.94Å; R469-N472 PolarHBondContact O-N 2.95Å; R469-T473 PolarHBondContact O-N 3.04Å; R469-T473 PolarHBondContact O-OG1 3.4Å; R469-T473 VanDerWaalsContact O-OG1 3.05Å |
| 470 | C | 81.1 | Confident | 74.6 | Confident | 81 Ų | 81 | 123.1 Ų | 123.1 | 55% | 0.547 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -58.8 | -41.6 | 179.8 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | C466 M467 T473 S474 | C466-C470 PolarHBondContact O-N 3.5Å; C466-C470 PolarHBondContact O-SG 3.41Å; M467-C470 PolarHBondContact O-N 3.34Å; C470-T473 WeakPolarHBondContact CA-OG1 3.49Å; C470-T473 PolarHBondContact O-OG1 3.19Å; C470-S474 PolarHBondContact O-N 3.03Å; C470-S474 PolarHBondContact O-OG 2.88Å |
| 471 | R | 78.4 | Confident | 72.2 | Confident | 191 Ų | 191 | 127.5 Ų | 127.5 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.7 | -23.4 | 179.1 | -159.2 | 176.5 | 78.2 | 170.1 | 5.4 | 113.8 | M467 R469 S474 | M467-R471 VanDerWaalsContact O-CB 3.25Å; M467-R471 WeakPolarHBondContact O-CB 3.3Å; M467-R471 PolarHBondContact O-N 2.88Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.94Å; R471-S474 PolarHBondContact O-OG 3.43Å; R471-S474 VanDerWaalsContact O-OG 3.08Å |
| 472 | N | 62.6 | Low | 70 | Confident | 99 Ų | 99 | 127.3 Ų | 127.3 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -81.8 | -34.5 | 172.1 | -71.5 | 8.3 | 0 | 0 | 0 | 111.4 | Q468 R469 S474 Q475 | Q468-N472 WeakPolarHBondContact O-CB 3.43Å; Q468-N472 PolarHBondContact O-N 3.35Å; Q468-N472 PolarHBondContact O-OD1 3.47Å; R469-N472 PolarHBondContact O-N 2.95Å; N472-S474 VanDerWaalsContact C-N 3.32Å; N472-Q475 PolarHBondContact O-N 2.93Å |
| 473 | T | 57.2 | Low | 67.4 | Low | 95 Ų | 95 | 135.1 Ų | 135.1 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.8 | -35 | 173 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | R469 C470 Q475 F476 | R469-T473 PolarHBondContact O-N 3.04Å; R469-T473 PolarHBondContact O-OG1 3.4Å; R469-T473 VanDerWaalsContact O-OG1 3.05Å; C470-T473 WeakPolarHBondContact CA-OG1 3.49Å; C470-T473 PolarHBondContact O-OG1 3.19Å; T473-Q475 PolarHBondContact O-N 2.82Å; T473-Q475 VanDerWaalsContact O-N 3.13Å; T473-F476 PolarHBondContact O-N 2.81Å; T473-F476 VanDerWaalsContact O-N 3.11Å |
| 474 | S | 52.7 | Low | 64.6 | Low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 4.6 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 115 | C470 R471 N472 | C470-S474 PolarHBondContact O-N 3.03Å; C470-S474 PolarHBondContact O-OG 2.88Å; R471-S474 PolarHBondContact O-OG 3.43Å; R471-S474 VanDerWaalsContact O-OG 3.08Å; N472-S474 VanDerWaalsContact C-N 3.32Å |
| 475 | Q | 52.9 | Low | 62.4 | Low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -0.3 | 167.5 | -78.5 | -153 | 13.8 | 0 | 0 | 113.6 | N472 T473 | N472-Q475 PolarHBondContact O-N 2.93Å; T473-Q475 PolarHBondContact O-N 2.82Å; T473-Q475 VanDerWaalsContact O-N 3.13Å |
| 476 | F | 51.1 | Low | 59.7 | Low | 199 Ų | 199 | 141.9 Ų | 141.9 | 87% | 0.873 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -117.3 | 10.1 | -176.5 | -146.3 | -95.8 | 0 | 0 | 0 | 114.2 | T473 | T473-F476 PolarHBondContact O-N 2.81Å; T473-F476 VanDerWaalsContact O-N 3.11Å |
| 477 | D | 52.9 | Low | 56.8 | Low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -121.1 | 126.1 | 174.8 | -164.3 | 15.6 | 0 | 0 | 0 | 109.3 | ||
| 478 | G | 52.1 | Low | 54 | Low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 146.9 | -102.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 479 | D | 49.6 | Very low | 51.4 | Low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -90.4 | -15.5 | -149.6 | -69.1 | -43.3 | 0 | 0 | 0 | 117.9 | I481 S482 | D479-I481 PolarHBondContact O-N 2.91Å; D479-S482 PolarHBondContact O-OG 2.89Å |
| 480 | Y | 48.8 | Very low | 48.8 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 93% | 0.929 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.4 | -162.4 | -112.3 | -83.5 | 0 | 0 | 0 | 117.6 | ||
| 481 | I | 46.3 | Very low | 47.1 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -7.9 | -177.1 | -58.6 | -179.1 | 0 | 0 | 0 | 112.2 | D479 | D479-I481 PolarHBondContact O-N 2.91Š|
| 482 | S | 48.6 | Very low | 45.1 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -86.9 | -8.1 | -161.7 | 65.4 | 0 | 0 | 0 | 0 | 117.5 | D479 | D479-S482 PolarHBondContact O-OG 2.89Š|
| 483 | K | 40.5 | Very low | 44.5 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -140.7 | 101.8 | -177.7 | -68.1 | -171.2 | -179.8 | 176.8 | 0 | 114.6 | ||||
| 484 | L | 37.3 | Very low | 43.5 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -136.8 | 99.9 | 169 | -173.2 | 80.5 | 0 | 0 | 0 | 111.6 | ||||
| 485 | P | 46.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -80.1 | 130 | 165.5 | 31.5 | -30.4 | 0 | 0 | 0 | 110.6 | ||||
| 486 | K | 36.7 | Very low | 42.1 | Very low | 201 Ų | 201 | 148.4 Ų | 148.4 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -75 | 139.6 | 172 | -67 | 171.8 | 177.1 | 172.3 | 0 | 110.7 | ||||
| 487 | S | 31.3 | Very low | 41.2 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | 167.9 | 126.7 | 122.1 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 488 | N | 31.7 | Very low | 40.4 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 22.7 | 119.7 | 143.9 | -46.8 | -27.9 | 0 | 0 | 0 | 117.6 | ||||
| 489 | Q | 34.6 | Very low | 39.9 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -158.1 | 151.8 | 79.5 | -160.6 | 67 | 2.1 | 0 | 0 | 113 | |||||
| 490 | Y | 32.4 | Very low | 39.3 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -132 | 134.2 | 165.2 | -153.9 | -111.6 | 0 | 0 | 0 | 107.9 | S492 | Y490-S492 WeakPolarHBondContact CE1-OG 3.26Å; Y490-S492 VanDerWaalsContact CZ-OG 3.25Å; Y490-S492 WeakPolarHBondContact OH-CB 3.14Å; Y490-S492 PolarHBondContact OH-OG 3.18Å | ||
| 491 | P | 45 | Very low | 39.2 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -143.8 | 139.8 | 100.7 | 36.4 | -21.4 | 0 | 0 | 0 | 114.9 | |||||
| 492 | S | 35.8 | Very low | 38.9 | Very low | 64 Ų | 64 | 148 Ų | 148 | 45% | 0.448 | 77% | 0.767 | S | S | . | * | trans | -96 | -171.9 | 154.3 | 74.5 | 0 | 0 | 0 | 0 | 108.7 | Y490 | Y490-S492 WeakPolarHBondContact CE1-OG 3.26Å; Y490-S492 VanDerWaalsContact CZ-OG 3.25Å; Y490-S492 WeakPolarHBondContact OH-CB 3.14Å; Y490-S492 PolarHBondContact OH-OG 3.18Å | ||
| 493 | P | 50.4 | Low | 38.8 | Very low | 94 Ų | 94 | 149.9 Ų | 149.9 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | cis | -136.4 | 163.3 | -6.3 | 36.7 | -20 | 0 | 0 | 0 | 115.5 | ||||
| 494 | K | 35.3 | Very low | 38.8 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 175.9 | 144.4 | 117.6 | -94.7 | 149.3 | -168.8 | 165.7 | 0 | 114.7 | |||||
| 495 | R | 40.6 | Very low | 39.5 | Very low | 221 Ų | 221 | 148 Ų | 148 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 79.1 | 155 | -66.9 | 177.8 | -179.3 | 131.7 | -1.1 | 118.9 | ||||
| 496 | C | 36.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 43.4 | 114.5 | 118.1 | -50.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 497 | F | 31.7 | Very low | 39.2 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | trans | -160.3 | 135.9 | 131.4 | -102.2 | -66.6 | 0 | 0 | 0 | 111.1 | ||||
| 498 | S | 37.1 | Very low | 39.4 | Very low | 123 Ų | 123 | 155 Ų | 155 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 63 | 150 | 174.8 | -139.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 499 | S | 41.6 | Very low | 39.7 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -115.5 | 130.2 | -6.8 | 53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 500 | Y | 36.4 | Very low | 39.6 | Very low | 226 Ų | 226 | 151.4 Ų | 151.4 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 139.3 | 159.2 | -132.4 | -96.4 | 0 | 0 | 0 | 107.3 | D502 | Y500-D502 PolarHBondContact O-N 3.42Å; Y500-D502 VanDerWaalsContact O-N 3.08Å | ||
| 501 | D | 46.5 | Very low | 40.1 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 103.4 | 170.6 | -77.4 | -61.1 | 0 | 0 | 0 | 109.6 | ||||
| 502 | D | 39.6 | Very low | 40.2 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 111.3 | 176 | -161.3 | 9.7 | 0 | 0 | 0 | 112.8 | Y500 | Y500-D502 PolarHBondContact O-N 3.42Å; Y500-D502 VanDerWaalsContact O-N 3.08Å | ||
| 503 | M | 48 | Very low | 40.2 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 67% | 0.665 | 78% | 0.781 | S | S | * | * | trans | 6.7 | 122.5 | 157.9 | -60.8 | -64.9 | 100.1 | 0 | 0 | 119.1 | ||||
| 504 | N | 39.3 | Very low | 39.2 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -122.5 | 47.4 | 148.9 | -96 | -78.9 | 0 | 0 | 0 | 113.5 | K506 | N504-K506 VanDerWaalsContact C-N 3.34Å; N504-K506 PolarHBondContact O-N 2.85Å | ||
| 505 | L | 52.3 | Low | 39 | Very low | 161 Ų | 161 | 158.9 Ų | 158.9 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 84.2 | 164.8 | -157.9 | 84.2 | 0 | 0 | 0 | 109.9 | ||||
| 506 | K | 39.7 | Very low | 38.8 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | trans | -156.7 | 119.5 | -178.8 | -117.2 | 157.8 | -171.5 | 163.5 | 0 | 115.7 | N504 | N504-K506 VanDerWaalsContact C-N 3.34Å; N504-K506 PolarHBondContact O-N 2.85Å | ||
| 507 | R | 36.5 | Very low | 38.7 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 75% | 0.751 | 78% | 0.777 | S | S | * | * | trans | 72.3 | 154.2 | 156.3 | -65.7 | 173.9 | -70.8 | -165.3 | -0.9 | 115.3 | ||||
| 508 | R | 37.5 | Very low | 38.8 | Very low | 214 Ų | 214 | 150.8 Ų | 150.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -148.3 | 163.1 | 4.3 | -136 | 168.5 | -174.2 | 177 | -0.9 | 112.8 | ||||
| 509 | T | 35.9 | Very low | 38.7 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -43.9 | 143.7 | 164.9 | 51.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 510 | S | 34.4 | Very low | 38.4 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -171 | 138.1 | 118.5 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 511 | F | 43.1 | Very low | 38.1 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | -93.4 | 145 | 145.6 | -76.1 | -86 | 0 | 0 | 0 | 106.9 | ||||
| 512 | P | 46.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | -137.4 | 160.6 | 97.3 | 37 | -23.5 | 0 | 0 | 0 | 111.9 | |||||
| 513 | L | 34.3 | Very low | 37.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | cis | 76.9 | 84.6 | 31.8 | -150.8 | -176.8 | 0 | 0 | 0 | 114 | ||||
| 514 | M | 29.7 | Very low | 36.5 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -160 | 138.9 | 152.5 | -100.6 | -51.1 | 98.5 | 0 | 0 | 114.7 | ||||
| 515 | R | 31.6 | Very low | 36.4 | Very low | 193 Ų | 193 | 147 Ų | 147 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 27.6 | 128.1 | 142.5 | -73 | 178.6 | 136.3 | 68.3 | 0.8 | 120.3 | ||||
| 516 | S | 36.3 | Very low | 35.7 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | cis | 88.1 | 151.2 | 39.4 | 82.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 517 | K | 34.4 | Very low | 35.3 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | 83.5 | 150.1 | -176.9 | -56.2 | -175.5 | 173.9 | -171.3 | 0 | 112.4 | ||||
| 518 | S | 33.9 | Very low | 35.7 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -147.4 | 143.7 | 19.5 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 519 | L | 35.1 | Very low | 35.5 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 67.9 | 125.8 | 153 | -60 | 164.8 | 0 | 0 | 0 | 116.1 | ||||
| 520 | Q | 34.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 71.8 | 137.6 | 61 | -69.2 | -176.3 | 7.7 | 0 | 0 | 112.7 | |||||
| 521 | L | 31.9 | Very low | 35.6 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -133.3 | 170.5 | 15.4 | -73.7 | 85.4 | 0 | 0 | 0 | 113.9 | ||||
| 522 | T | 34.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 20 | 135.2 | 146 | 58.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 523 | G | 31.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | cis | 112.3 | 124.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 524 | K | 34.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | trans | -163.5 | 153.2 | 158.6 | -125.3 | -178.5 | 165.5 | -74.5 | 0 | 109.7 | ||||
| 525 | E | 36.9 | Very low | 34.9 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | trans | 29.7 | 111.7 | 171.9 | -74.8 | 88.3 | -122 | 0 | 0 | 118.5 | ||||
| 526 | V | 37.4 | Very low | 35.1 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | cis | 65.5 | 98 | 45.2 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 527 | D | 32.3 | Very low | 34.7 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 72.4 | 142.2 | 73.5 | -160.3 | 59.4 | 0 | 0 | 0 | 111.2 | |||||
| 528 | P | 45.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | cis | -140.2 | 177.8 | 25.3 | 40.2 | -19.6 | 0 | 0 | 0 | 119.5 | ||||
| 529 | N | 33.3 | Very low | 34.4 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 101.6 | 65.3 | 161.2 | -55.7 | -55.4 | 0 | 0 | 0 | 118.5 | ||||
| 530 | D | 34.5 | Very low | 34.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 92% | 0.92 | 76% | 0.764 | S | S | * | * | trans | -127.3 | 111.6 | 143.1 | -134.8 | -20.3 | 0 | 0 | 0 | 108.8 | ||||
| 531 | L | 37.4 | Very low | 35.2 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -107.3 | 120.6 | -161.6 | -129 | 85.9 | 0 | 0 | 0 | 113.4 | ||||
| 532 | Y | 32.7 | Very low | 35.1 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 67.2 | 94.3 | 146.2 | -109.4 | -86.7 | 0 | 0 | 0 | 119.5 | V534 | Y532-V534 HydrophobicContact CD1-CG2 3.77Å; Y532-V534 HydrophobicContact CE1-CG2 4.36Å | ||
| 533 | I | 35.1 | Very low | 35.1 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 124 | 145.7 | -63.1 | 172.8 | 0 | 0 | 0 | 107.9 | ||
| 534 | V | 35 | Very low | 35.5 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 120.3 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | Y532 | Y532-V534 HydrophobicContact CD1-CG2 3.77Å; Y532-V534 HydrophobicContact CE1-CG2 4.36Å |
| 535 | E | 35.2 | Very low | 35.6 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.7 | 173.3 | -174.6 | -171.9 | 172.7 | 0 | 0 | 112 | L537 | E535-L537 PolarHBondContact O-N 2.8Š|
| 536 | P | 35.9 | Very low | 35.9 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -85.9 | 103.1 | 177.3 | -8.4 | 26.5 | 0 | 0 | 0 | 113.1 | K538 | P536-K538 PolarHBondContact O-N 3.23Š| ||
| 537 | L | 29.4 | Very low | 35.7 | Very low | 140 Ų | 140 | 161.2 Ų | 161.2 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -83.6 | 107.4 | 177.4 | -154.8 | 81.6 | 0 | 0 | 0 | 113.1 | E535 | E535-L537 PolarHBondContact O-N 2.8Š| ||
| 538 | K | 34 | Very low | 35.6 | Very low | 180 Ų | 180 | 159.6 Ų | 159.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 20.9 | 124.9 | 153 | -57 | 177.2 | -176.4 | 175 | 0 | 119.9 | P536 | P536-K538 PolarHBondContact O-N 3.23Š| ||
| 539 | F | 27.8 | Very low | 35.1 | Very low | 220 Ų | 220 | 162.9 Ų | 162.9 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | trans | -153.1 | 142.1 | 140.4 | -96.4 | -66.7 | 0 | 0 | 0 | 113.8 | ||||
| 540 | S | 30.2 | Very low | 35 | Very low | 111 Ų | 111 | 165.7 Ų | 165.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 155.5 | 172 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 541 | P | 55.3 | Low | 34.8 | Very low | 110 Ų | 110 | 165.6 Ų | 165.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -122.6 | 179.1 | -3.6 | 34.3 | -16.2 | 0 | 0 | 0 | 114 | ||||
| 542 | E | 30.7 | Very low | 34.6 | Very low | 142 Ų | 142 | 167.3 Ų | 167.3 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | 150.3 | 141.7 | 126.1 | -79.7 | -137.9 | 107.8 | 0 | 0 | 117.6 | |||||
| 543 | K | 33.1 | Very low | 34.5 | Very low | 171 Ų | 171 | 164.1 Ų | 164.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 66.1 | 119.7 | 145 | -72.8 | 165.5 | -179.9 | 143.6 | 0 | 122.4 | ||||
| 544 | K | 39.5 | Very low | 34.4 | Very low | 204 Ų | 204 | 163.9 Ų | 163.9 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -46.3 | 140 | 170.3 | -51.4 | 166.4 | -178.8 | 176.2 | 0 | 115.5 | ||||
| 545 | K | 37.8 | Very low | 34.4 | Very low | 214 Ų | 214 | 166.8 Ų | 166.8 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -166.3 | 162.7 | 130.1 | -109.9 | 162.9 | -172.3 | 176.2 | 0 | 114.1 | ||||
| 546 | K | 43 | Very low | 34.4 | Very low | 205 Ų | 205 | 166.9 Ų | 166.9 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -81 | 140.4 | -173.6 | -46.3 | 171.8 | -178.5 | -179.2 | 0 | 112.4 | ||||
| 547 | R | 33 | Very low | 34.2 | Very low | 256 Ų | 256 | 166.9 Ų | 166.9 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | -160.2 | 168.1 | 134.5 | -148.3 | 164.2 | -179.9 | 170.4 | -0.8 | 110.9 | ||||
| 548 | C | 30.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 167.9 Ų | 167.9 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -135.7 | 165.7 | -172.1 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 549 | K | 34.4 | Very low | 34.7 | Very low | 164 Ų | 164 | 168 Ų | 168 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 84.9 | 145.3 | 178.1 | -51.4 | -166.5 | 178.2 | -170.9 | 0 | 113.9 | ||||
| 550 | Y | 31.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 162.7 Ų | 162.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -138.5 | 152.4 | 28.3 | -82.6 | -86.2 | 0 | 0 | 0 | 117.5 | ||||
| 551 | K | 30.2 | Very low | 34.8 | Very low | 170 Ų | 170 | 166.2 Ų | 166.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | 43.8 | 119.8 | 144.1 | -69.5 | 171.5 | 175.2 | -168.7 | 0 | 120.9 | ||||
| 552 | I | 31.6 | Very low | 33.7 | Very low | 177 Ų | 177 | 169.7 Ų | 169.7 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | -107.4 | 164.4 | 121.8 | -88.6 | 174.7 | 0 | 0 | 0 | 107.8 | |||||
| 553 | E | 31.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 167.2 Ų | 167.2 | 58% | 0.584 | 79% | 0.788 | S | S | * | * | trans | -121.2 | 144.4 | -157.3 | -176.4 | 165.7 | 154.4 | 0 | 0 | 113.9 | ||||
| 554 | K | 32.7 | Very low | 34.4 | Very low | 162 Ų | 162 | 165.7 Ų | 165.7 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | trans | 47.2 | 110.9 | 164.7 | -70.9 | 164.2 | -175.5 | 149.9 | 0 | 118.9 | ||||
| 555 | I | 34.6 | Very low | 34.1 | Very low | 171 Ų | 171 | 164 Ų | 164 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -124 | 126.6 | 135.4 | -63.8 | 177.2 | 0 | 0 | 0 | 106.7 | ||||
| 556 | E | 36.4 | Very low | 34.9 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -91.4 | 156.2 | 172.3 | -66.2 | 178.6 | 145.3 | 0 | 0 | 109.4 | ||||
| 557 | T | 31.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | cis | -159.7 | 142.9 | -21 | -90.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 558 | I | 42 | Very low | 34.3 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | trans | -121.5 | 134.3 | 172.6 | -57 | 175.3 | 0 | 0 | 0 | 109.2 | ||||
| 559 | K | 30.4 | Very low | 34.6 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -149.6 | 131.5 | 149.7 | -142.9 | -169.5 | 174.6 | -138.7 | 0 | 111.5 | ||||
| 560 | P | 36.3 | Very low | 34.5 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -103.7 | 168.9 | 179.1 | 39.6 | -34.8 | 0 | 0 | 0 | 113.1 | ||||
| 561 | E | 24.1 | Very low | 34.5 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -149.2 | 155.9 | 162.9 | -110.7 | 160.6 | -147.6 | 0 | 0 | 110.8 | ||||
| 562 | E | 32.2 | Very low | 35.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -152.7 | 169.9 | -172.6 | -121.5 | -165.5 | 127.8 | 0 | 0 | 106.9 | ||||
| 563 | P | 51 | Low | 35.3 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | cis | -141.8 | -159 | 7.7 | 31.4 | -4.8 | 0 | 0 | 0 | 115.2 | ||||
| 564 | L | 27.6 | Very low | 35.3 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | 79.7 | 143.7 | 164.2 | -43 | 179.5 | 0 | 0 | 0 | 116.6 | ||||
| 565 | H | 33 | Very low | 35.4 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | cis | -157.3 | -173.5 | -12 | -119.4 | -20.2 | 0 | 0 | 0 | 110.5 | ||||
| 566 | P | 55.7 | Low | 35.4 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -122.2 | -157.4 | -146.7 | 42.2 | -24.4 | 0 | 0 | 0 | 116.4 | ||||
| 567 | I | 32 | Very low | 36.2 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | trans | 93.5 | 137.6 | 172.8 | -59.7 | 150.4 | 0 | 0 | 0 | 112.8 | ||||
| 568 | A | 31.6 | Very low | 36.1 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -142.9 | 157.4 | 23.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 569 | N | 35.8 | Very low | 35.6 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | 31 | 145.2 | 135.7 | -47 | -11.1 | 0 | 0 | 0 | 120.9 | ||||
| 570 | G | 33.8 | Very low | 35.6 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | 156.8 | 172.5 | 6.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 571 | D | 31.4 | Very low | 35.3 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | cis | -155.9 | -179.7 | -2.9 | -170.3 | 24 | 0 | 0 | 0 | 111.1 | ||||
| 572 | I | 41.3 | Very low | 35.8 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -87.8 | 152.8 | -163.1 | -69.2 | 155.8 | 0 | 0 | 0 | 116 | ||||
| 573 | K | 36.2 | Very low | 35.7 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -165.9 | 151.4 | 147.7 | -107.5 | 166.2 | -173.7 | 176.2 | 0 | 111.6 | ||||
| 574 | G | 32 | Very low | 34.7 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 170.8 | 42.5 | -2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 575 | R | 34.6 | Very low | 35 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | trans | 43.3 | 119 | 162.6 | -88.8 | -167.8 | 169.4 | -145.6 | 2.9 | 122.6 | ||||
| 576 | K | 33.9 | Very low | 34.8 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | 65.9 | 174.1 | 128.3 | -70.5 | -162.6 | 171.4 | -161.8 | 0 | 120 | |||||
| 577 | P | 53.1 | Low | 33.7 | Very low | 93 Ų | 93 | 145 Ų | 145 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | -141.8 | 145.9 | -58.4 | 40.7 | -23.8 | 0 | 0 | 0 | 116.6 | |||||
| 578 | F | 29.4 | Very low | 33.6 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -155.5 | 160.6 | 160.1 | -66.2 | -73.9 | 0 | 0 | 0 | 109.7 | ||||
| 579 | T | 32.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | cis | 132.3 | 134.1 | -30.8 | 61.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 580 | N | 29.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 76.1 | 127.4 | -174.4 | -50.5 | -70.5 | 0 | 0 | 0 | 114.3 | ||||
| 581 | Q | 30.8 | Very low | 33.6 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | 98.4 | 137.1 | 17.9 | -162.4 | -164.3 | 66.5 | 0 | 0 | 114.4 | ||||
| 582 | R | 33.9 | Very low | 33.7 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | 89.2 | 140 | 174.4 | -61 | -163.1 | -107.5 | 147.5 | -0.9 | 116.5 | ||||
| 583 | D | 30 | Very low | 33.2 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 57% | 0.572 | 76% | 0.758 | S | S | * | * | cis | -164.2 | 160.4 | -7.7 | -108.4 | -15.5 | 0 | 0 | 0 | 114.6 | ||||
| 584 | F | 29.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | 61 | 107.5 | 150.4 | -65.6 | -51 | 0 | 0 | 0 | 125.1 | ||||
| 585 | S | 34.1 | Very low | 33.1 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 100.7 | 123.3 | 111.3 | -65.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 586 | N | 29.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 62.2 | 146.4 | 150 | -79 | -11.9 | 0 | 0 | 0 | 119.7 | ||||
| 587 | M | 32 | Very low | 33.1 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | cis | -154.8 | 157 | 0.2 | -136.5 | -175 | 89 | 0 | 0 | 110.4 | ||||
| 588 | G | 31 | Very low | 32.8 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 96.4 | 128.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 589 | E | 32.7 | Very low | 33.4 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -87.8 | 159.3 | 172.4 | -62.1 | 159.1 | 103.3 | 0 | 0 | 111.6 | ||||
| 590 | V | 34 | Very low | 33.4 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | -166.1 | 143.7 | 119.4 | 144.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 591 | Y | 34 | Very low | 33.9 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 145.1 | -177.4 | -77.7 | -108.5 | 0 | 0 | 0 | 112.4 | ||||
| 592 | H | 33.8 | Very low | 33.9 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | -168.9 | 130.9 | 106.7 | -98.4 | -69 | 0 | 0 | 0 | 110.8 | |||||
| 593 | S | 30.8 | Very low | 33.8 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -111 | 134.8 | 172.4 | -179 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 594 | S | 33.9 | Very low | 34.3 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -154.1 | 100.6 | 160.9 | -91.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 595 | Y | 31.9 | Very low | 34.6 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.1 | 175.2 | -125.5 | -96.5 | 0 | 0 | 0 | 111 | ||
| 596 | K | 37.4 | Very low | 34.5 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.7 | -168 | -65.3 | 175.5 | 175.9 | 179.9 | 0 | 114.8 | ||
| 597 | G | 31.4 | Very low | 34.7 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 161.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 598 | P | 46.6 | Very low | 35 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 161.5 | -175.8 | 32.8 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 599 | P | 42.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 154.4 | -176.1 | 34.2 | -36 | 0 | 0 | 0 | 113.3 | ||
| 600 | S | 32.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 122.4 | 153.4 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 601 | E | 40.2 | Very low | 35.8 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 154.8 | 157.2 | -62.6 | 168.2 | 152.1 | 0 | 0 | 106.9 | ||
| 602 | G | 32 | Very low | 36 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | 88.7 | 121.3 | 36.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 603 | S | 31.5 | Very low | 36.4 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -150.8 | 146.5 | 5 | -68.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 604 | S | 40.1 | Very low | 36.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 50 | 92.3 | 72.6 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 605 | E | 35.9 | Very low | 36.5 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -149.3 | 141.5 | 157.7 | -80.1 | -155.4 | 104.9 | 0 | 0 | 107 | ||||
| 606 | T | 32.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | -150.5 | 157.3 | -9.5 | 28.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 607 | S | 32.8 | Very low | 36.9 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -71.7 | 167.7 | 163.4 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 608 | S | 37.3 | Very low | 37.4 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -163.2 | 175.5 | 42.9 | -47.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 609 | Q | 36.4 | Very low | 37.1 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | cis | -135.1 | 169.1 | 15.6 | -60.3 | 164.7 | -29.5 | 0 | 0 | 107.2 | ||||
| 610 | S | 31.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | -136.7 | 151.8 | 32.4 | 53.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 611 | E | 48.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 40.9 | 92.1 | 88.3 | -66.5 | 178.6 | -142.3 | 0 | 0 | 114.2 | |||||
| 612 | E | 36.9 | Very low | 37.9 | Very low | 165 Ų | 165 | 126 Ų | 126 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -164.4 | 136.2 | 139.9 | -140.9 | 68.6 | -91.9 | 0 | 0 | 108.3 | Y614 | E612-Y614 HydrophobicContact CG-CD2 4.33Å; E612-Y614 HydrophobicContact CG-CE2 3.75Å | ||
| 613 | S | 42.1 | Very low | 38.4 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -122.5 | 101.1 | -168.1 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 614 | Y | 37.9 | Very low | 38.9 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -119.6 | 103.9 | 178.7 | -72.5 | -78.2 | 0 | 0 | 0 | 114 | E612 | E612-Y614 HydrophobicContact CG-CD2 4.33Å; E612-Y614 HydrophobicContact CG-CE2 3.75Å | ||
| 615 | F | 29.9 | Very low | 39 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | 24.3 | 99.6 | 142 | -159.7 | -99.9 | 0 | 0 | 0 | 118.9 | G617 | F615-G617 PolarHBondContact O-N 3.16Š| ||
| 616 | C | 37.2 | Very low | 39 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -82.4 | 101.5 | 167 | -174.9 | 0 | 0 | 0 | 0 | 111 | I618 | C616-I618 VanDerWaalsContact C-N 3.33Å; C616-I618 PolarHBondContact O-N 3.04Å; C616-I618 VanDerWaalsContact O-N 3.15Å | ||
| 617 | G | 41.2 | Very low | 38.9 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -83.9 | 49.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F615 | F615-G617 PolarHBondContact O-N 3.16Š| ||
| 618 | I | 39.8 | Very low | 38.7 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | trans | -124.6 | 127.9 | -179.9 | -53.9 | -179.7 | 0 | 0 | 0 | 111.3 | C616 A620 | C616-I618 VanDerWaalsContact C-N 3.33Å; C616-I618 PolarHBondContact O-N 3.04Å; C616-I618 VanDerWaalsContact O-N 3.15Å; I618-A620 HydrophobicContact CG2-CB 4.3Å; I618-A620 PolarHBondContact O-N 2.71Å; I618-A620 VanDerWaalsContact O-N 3.07Å | ||
| 619 | S | 40.7 | Very low | 38.4 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 9.5 | -169.4 | 49.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 620 | A | 43.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -8.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I618 T622 | I618-A620 HydrophobicContact CG2-CB 4.3Å; I618-A620 PolarHBondContact O-N 2.71Å; I618-A620 VanDerWaalsContact O-N 3.07Å; A620-T622 PolarHBondContact O-N 3.26Å |
| 621 | C | 42.1 | Very low | 38.4 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -82.1 | 38 | -170.9 | -63.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 622 | T | 45.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -100.2 | -1.2 | -163.6 | 48.1 | 0 | 0 | 0 | 0 | 116.5 | A620 | A620-T622 PolarHBondContact O-N 3.26Š| ||
| 623 | S | 41.9 | Very low | 37.9 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -114.8 | -12 | -170.5 | 61.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 624 | L | 42.1 | Very low | 37.6 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -117.9 | -3.1 | -170.6 | -71 | 177.3 | 0 | 0 | 0 | 116.5 | ||
| 625 | C | 42.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | -113.8 | 89.4 | 177.7 | -72 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 626 | N | 36.1 | Very low | 37.7 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | trans | -121.9 | 122.9 | 176.9 | -168.6 | 6.3 | 0 | 0 | 0 | 111.6 | ||||
| 627 | G | 31.2 | Very low | 37.6 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | 92.8 | 130.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 628 | Q | 28.6 | Very low | 37.1 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | cis | -156.4 | 123.2 | -8 | -171.6 | 158.7 | -68.5 | 0 | 0 | 113.8 | ||||
| 629 | S | 31 | Very low | 36.8 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 39.2 | 128.3 | 156.3 | 70.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 630 | Q | 34.6 | Very low | 36.6 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -48.3 | 156.2 | 160.5 | -57.7 | 173.4 | -16.8 | 0 | 0 | 114.5 | ||||
| 631 | K | 32.9 | Very low | 36.2 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -136.4 | 120.5 | 134.8 | -73.9 | -166.7 | 177.4 | 173.4 | 0 | 111.4 | ||||
| 632 | T | 38.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 139.2 | 167.9 | 47.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 633 | K | 35.9 | Very low | 35.3 | Very low | 207 Ų | 207 | 161.1 Ų | 161.1 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -162.7 | 123 | 143.9 | -116.7 | 167.2 | -173.6 | 177.9 | 0 | 115.3 | ||||
| 634 | T | 37.3 | Very low | 34.7 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -43.4 | 154.2 | 166.8 | -19.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 635 | E | 31.1 | Very low | 34.2 | Very low | 141 Ų | 141 | 162 Ų | 162 | 66% | 0.659 | 80% | 0.798 | S | S | * | * | trans | 91.2 | 151.8 | 136.2 | -116 | -161.1 | 129.7 | 0 | 0 | 123 | ||||
| 636 | K | 37.6 | Very low | 33.7 | Very low | 153 Ų | 153 | 162.5 Ų | 162.5 | 67% | 0.665 | 80% | 0.797 | S | S | * | * | trans | 75.2 | 72.7 | 155.4 | -68.2 | 171.4 | 173.3 | 105.8 | 0 | 120.3 | ||||
| 637 | R | 34.8 | Very low | 33.4 | Very low | 254 Ų | 254 | 163.5 Ų | 163.5 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | 20 | 107.2 | 111.1 | -172.5 | -167.9 | -135.4 | 171.1 | 7 | 116.4 | |||||
| 638 | A | 30.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 167.2 Ų | 167.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -141.3 | 133 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 639 | L | 34.3 | Very low | 33.7 | Very low | 148 Ų | 148 | 166.6 Ų | 166.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -135.7 | 108.2 | -172.5 | -175.3 | 145.6 | 0 | 0 | 0 | 112.1 | ||||
| 640 | K | 36.3 | Very low | 33.7 | Very low | 199 Ų | 199 | 165.1 Ų | 165.1 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -172.7 | 118.8 | 162 | -101.8 | 153.8 | -177.5 | 177.5 | 0 | 107.5 | ||||
| 641 | R | 35.3 | Very low | 33.7 | Very low | 216 Ų | 216 | 166.1 Ų | 166.1 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | 62.6 | 91.1 | 66.1 | -69.3 | -174.8 | 172.1 | 180 | -0.7 | 114.3 | |||||
| 642 | R | 36.1 | Very low | 33.7 | Very low | 216 Ų | 216 | 163.3 Ų | 163.3 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | 153.8 | 144.7 | 99 | -100 | -179.6 | 167.6 | -176.2 | -2.8 | 114.9 | |||||
| 643 | R | 32.9 | Very low | 33.5 | Very low | 216 Ų | 216 | 164.4 Ų | 164.4 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | 69 | 164.9 | 148.8 | -75.9 | -171.9 | 172.3 | -176.4 | -3.7 | 119 | ||||
| 644 | S | 30.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 163.8 Ų | 163.8 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | 174 | 119.3 | -49.3 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 645 | K | 31 | Very low | 32.9 | Very low | 196 Ų | 196 | 164 Ų | 164 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 170 | 135.7 | 153.9 | -99.9 | 174.1 | 176.6 | -171.5 | 0 | 105.7 | ||||
| 646 | V | 30.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 164.8 Ų | 164.8 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | cis | 67.8 | 98 | 43.9 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 647 | Q | 31.6 | Very low | 32.9 | Very low | 190 Ų | 190 | 164.2 Ų | 164.2 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -138.2 | 140.3 | 143.8 | -175.2 | 165.1 | -16.3 | 0 | 0 | 107.8 | ||||
| 648 | D | 33.1 | Very low | 32.8 | Very low | 140 Ų | 140 | 161.2 Ų | 161.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -137 | 171.5 | -179 | 177 | 35.6 | 0 | 0 | 0 | 108.3 | ||||
| 649 | Q | 31.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 76.4 | 130.9 | -169.5 | -48.6 | -171.9 | 20.1 | 0 | 0 | 115 | ||||
| 650 | G | 30.9 | Very low | 32.9 | Very low | 68 Ų | 68 | 164.6 Ų | 164.6 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 154.6 | 173.8 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 651 | K | 35.3 | Very low | 32.7 | Very low | 190 Ų | 190 | 161.4 Ų | 161.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 66.3 | 105.4 | 159 | -68.2 | -178.5 | 178.8 | 176.7 | 0 | 118.7 | ||||
| 652 | L | 33 | Very low | 32.7 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | 156.8 | 133 | 106 | -84.7 | 144.4 | 0 | 0 | 0 | 113.5 | |||||
| 653 | I | 34.6 | Very low | 32.6 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | 48.5 | 119.8 | 140.9 | -60.7 | 174.6 | 0 | 0 | 0 | 116.9 | ||||
| 654 | K | 30.2 | Very low | 33 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -159.1 | 156.7 | 64.8 | -149.1 | 157.2 | -172.1 | 177.7 | 0 | 114.5 | |||||
| 655 | T | 30.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 138 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 656 | L | 30.2 | Very low | 34.6 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -154.5 | 137.9 | 154.5 | -166.3 | 57.5 | 0 | 0 | 0 | 112.7 | ||||
| 657 | I | 37.1 | Very low | 35.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | 57.1 | 110.6 | 168.9 | -66.8 | 160 | 0 | 0 | 0 | 118.3 | ||||
| 658 | Q | 32.6 | Very low | 36.1 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -98.7 | 107.7 | 168.6 | 164.6 | -159.8 | -4.4 | 0 | 0 | 109.1 | ||||
| 659 | T | 34.3 | Very low | 36.8 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -155.2 | 97.3 | 158.9 | 41.5 | 0 | 0 | 0 | 0 | 113.2 | S661 | T659-S661 PolarHBondContact O-N 3.46Š| ||
| 660 | K | 33.8 | Very low | 38 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 33.1 | 82.5 | 136.4 | -164.2 | -178.1 | -177.8 | -176.6 | 0 | 117.5 | G662 | K660-G662 VanDerWaalsContact C-N 3.34Å; K660-G662 PolarHBondContact O-N 2.8Å | ||
| 661 | S | 33.3 | Very low | 38.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 92% | 0.923 | 74% | 0.742 | S | S | * | * | trans | -68.9 | 87.3 | 162.6 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | T659 | T659-S661 PolarHBondContact O-N 3.46Š| ||
| 662 | G | 33.6 | Very low | 39.7 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K660 | K660-G662 VanDerWaalsContact C-N 3.34Å; K660-G662 PolarHBondContact O-N 2.8Å |
| 663 | S | 34.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 141.3 | 171.4 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||
| 664 | L | 41.4 | Very low | 40.6 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 137.5 | 166.9 | -69.7 | 165 | 0 | 0 | 0 | 109.5 | ||
| 665 | P | 47.8 | Very low | 41.6 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.3 | 175 | 29.1 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 666 | S | 48 | Very low | 42.4 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 52% | 0.517 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 146.1 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | H668 D669 | S666-H668 PolarHBondContact O-N 3.08Å; S666-D669 PolarHBondContact O-N 3.23Å |
| 667 | L | 44.3 | Very low | 43 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -56.1 | -21.6 | 177 | -169.4 | 144.2 | 0 | 0 | 0 | 112.3 | D669 I671 | L667-D669 VanDerWaalsContact C-N 3.34Å; L667-D669 PolarHBondContact O-N 2.9Å; L667-I671 HydrophobicContact CD2-CD1 3.86Å |
| 668 | H | 47.8 | Very low | 42.8 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -69.3 | -23.1 | 177.7 | -139.5 | -48.2 | 0 | 0 | 0 | 115 | S666 | S666-H668 PolarHBondContact O-N 3.08Å |
| 669 | D | 48.3 | Very low | 43.1 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -83.4 | -30.3 | -178 | -65.3 | -45 | 0 | 0 | 0 | 112.3 | S666 L667 K672 | S666-D669 PolarHBondContact O-N 3.23Å; L667-D669 VanDerWaalsContact C-N 3.34Å; L667-D669 PolarHBondContact O-N 2.9Å; D669-K672 PolarHBondContact O-N 3.43Å |
| 670 | I | 56 | Low | 43.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 61% | 0.605 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 179.1 | -60.5 | 175.2 | 0 | 0 | 0 | 110.6 | K672 G673 | I670-K672 PolarHBondContact O-N 2.92Å; I670-K672 VanDerWaalsContact O-N 3.16Å; I670-G673 PolarHBondContact O-N 3.14Å |
| 671 | I | 51.8 | Low | 43.1 | Very low | 120 Ų | 120 | 127 Ų | 127 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -21.1 | -176.1 | -63.9 | 172.4 | 0 | 0 | 0 | 112.4 | L667 | L667-I671 HydrophobicContact CD2-CD1 3.86Š|
| 672 | K | 51.7 | Low | 43.1 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 0.2 | -177.9 | -140.6 | 170.7 | -174.2 | 175.9 | 0 | 114 | D669 I670 | D669-K672 PolarHBondContact O-N 3.43Å; I670-K672 PolarHBondContact O-N 2.92Å; I670-K672 VanDerWaalsContact O-N 3.16Å |
| 673 | G | 45.4 | Very low | 43.2 | Very low | 51 Ų | 51 | 131 Ų | 131 | 53% | 0.526 | 74% | 0.739 | S | S | . | * | trans | -96.9 | 12 | -170 | 0 | 0 | 0 | 0 | 0 | 117.1 | I670 K675 | I670-G673 PolarHBondContact O-N 3.14Å; G673-K675 VanDerWaalsContact C-N 3.29Å; G673-K675 PolarHBondContact O-N 3.47Å | ||
| 674 | N | 41.3 | Very low | 43.4 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -79.6 | 61 | -169 | -73.1 | -1.8 | 0 | 0 | 0 | 114.9 | ||||
| 675 | K | 50.5 | Low | 43.1 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -140.4 | 128.1 | 160.3 | -66.1 | -168.9 | 179.2 | -175.5 | 0 | 110.4 | G673 | G673-K675 VanDerWaalsContact C-N 3.29Å; G673-K675 PolarHBondContact O-N 3.47Å |
| 676 | E | 48 | Very low | 42.5 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 60.6 | 76.9 | 167.7 | -63.3 | 173.2 | -135.4 | 0 | 0 | 117.3 | ||||
| 677 | I | 42.6 | Very low | 42.2 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -122.7 | 103.9 | 149.4 | -58.2 | -178 | 0 | 0 | 0 | 108.5 | ||||
| 678 | T | 32.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -82.5 | 151.7 | -176.3 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | G680 | T678-G680 PolarHBondContact O-N 3.37Š| ||
| 679 | V | 38.7 | Very low | 41.2 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -55.8 | 125.4 | 179 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 680 | G | 33.8 | Very low | 40.5 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -131.8 | 108.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | T678 | T678-G680 PolarHBondContact O-N 3.37Š| ||
| 681 | T | 33.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -68.9 | 156.2 | -168.6 | -43.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 682 | F | 34.8 | Very low | 39 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -19.4 | 141 | 168.3 | -71.3 | -99.5 | 0 | 0 | 0 | 118.8 | ||||
| 683 | G | 33.8 | Very low | 38.3 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 116 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 684 | V | 40.4 | Very low | 37.9 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -107.9 | 117.1 | 179 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 685 | T | 35.4 | Very low | 37.7 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -156.9 | 158.6 | 163.1 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 686 | A | 34.6 | Very low | 37 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 84% | 0.843 | S | S | * | * | cis | -160.4 | 146.8 | -34.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 687 | V | 40.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 93% | 0.927 | 84% | 0.842 | S | S | * | * | trans | -73.4 | 131.6 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 688 | S | 37 | Very low | 35.8 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -140.3 | 106 | 164.4 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 689 | G | 34.7 | Very low | 36 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | trans | -121.9 | 144.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 690 | H | 34.5 | Very low | 35.8 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 81% | 0.81 | 84% | 0.843 | S | S | * | * | trans | -142.5 | 131.8 | -174.9 | -158.5 | 64.4 | 0 | 0 | 0 | 110.9 | ||||
| 691 | I | 36.3 | Very low | 35.9 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 100% | 1.185 | 85% | 0.852 | S | S | * | * | trans | 71 | 0 | -173 | -49.5 | 177.9 | 0 | 0 | 0 | 112.8 |
Retrieved 691 of 691 residues in 346.4 ms
(Link to these results)